----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 09:53:34]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.770724401449202 0.000000000000000 0.000000000000000 b 0.000000000000000 9.963609110000000 0.000000000000000 c -0.061382775830782 0.000000000000000 9.392102535695379 Atomic positions (fractional): *1 Ba 0.25044401351414 0.58711513928336 0.39230186108210 137.327 2 Ba 0.74955598648586 0.08711513928336 0.10769813891790 137.327 3 Ba 0.74955598648586 0.41288486071664 0.60769813891790 137.327 4 Ba 0.25044401351414 0.91288486071664 0.89230186108210 137.327 *5 Ge 0.93868736800128 0.80431824253787 0.56591105513564 72.640 6 Ge 0.06131263199872 0.30431824253787 0.93408894486436 72.640 7 Ge 0.06131263199872 0.19568175746213 0.43408894486436 72.640 8 Ge 0.93868736800128 0.69568175746213 0.06591105513564 72.640 *9 Ge 0.56267467749257 0.08352625548021 0.73519062282426 72.640 10 Ge 0.43732532250743 0.58352625548021 0.76480937717574 72.640 11 Ge 0.43732532250743 0.91647374451979 0.26480937717574 72.640 12 Ge 0.56267467749257 0.41647374451979 0.23519062282426 72.640 *13 Ga 0.57054428930888 0.80877841690331 0.56237040639894 69.723 14 Ga 0.42945571069112 0.30877841690331 0.93762959360106 69.723 15 Ga 0.42945571069112 0.19122158309669 0.43762959360106 69.723 16 Ga 0.57054428930888 0.69122158309669 0.06237040639894 69.723 *17 Ga 0.93356772471508 0.08009563450892 0.72784891787628 69.723 18 Ga 0.06643227528492 0.58009563450892 0.77215108212372 69.723 19 Ga 0.06643227528492 0.91990436549108 0.27215108212372 69.723 20 Ga 0.93356772471508 0.41990436549108 0.22784891787628 69.723 *21 O 0.01073775987743 0.91087096455956 0.70120192316634 15.999 22 O 0.98926224012257 0.41087096455956 0.79879807683366 15.999 23 O 0.98926224012257 0.08912903544044 0.29879807683366 15.999 24 O 0.01073775987743 0.58912903544044 0.20120192316634 15.999 *25 O 0.49068685547180 0.92293806388556 0.69797456914429 15.999 26 O 0.50931314452820 0.42293806388556 0.80202543085571 15.999 27 O 0.50931314452820 0.07706193611444 0.30202543085571 15.999 28 O 0.49068685547180 0.57706193611444 0.19797456914429 15.999 *29 O 0.93936896324590 0.63597905732534 0.62443217765021 15.999 30 O 0.06063103675410 0.13597905732534 0.87556782234979 15.999 31 O 0.06063103675410 0.36402094267466 0.37556782234979 15.999 32 O 0.93936896324590 0.86402094267466 0.12443217765021 15.999 *33 O 0.55908462296599 0.63340389113932 0.62495889455554 15.999 34 O 0.44091537703401 0.13340389113932 0.87504110544446 15.999 35 O 0.44091537703401 0.36659610886068 0.37504110544446 15.999 36 O 0.55908462296599 0.86659610886068 0.12495889455554 15.999 *37 O 0.07036025611906 0.80761862284744 0.42520160490981 15.999 38 O 0.92963974388094 0.30761862284744 0.07479839509019 15.999 39 O 0.92963974388094 0.19238137715256 0.57479839509019 15.999 40 O 0.07036025611906 0.69238137715256 0.92520160490981 15.999 *41 O 0.43617045761796 0.80738733832720 0.41028185994746 15.999 42 O 0.56382954238204 0.30738733832720 0.08971814005254 15.999 43 O 0.56382954238204 0.19261266167280 0.58971814005254 15.999 44 O 0.43617045761796 0.69261266167280 0.91028185994746 15.999 *45 O 0.76045565559967 0.86045483511090 0.50875298884378 15.999 46 O 0.23954434440033 0.36045483511090 0.99124701115622 15.999 47 O 0.23954434440033 0.13954516488910 0.49124701115622 15.999 48 O 0.76045565559967 0.63954516488910 0.00875298884378 15.999 *49 O 0.74540308294910 0.08699228913811 0.81483311573969 15.999 50 O 0.25459691705089 0.58699228913811 0.68516688426031 15.999 51 O 0.25459691705089 0.91300771086189 0.18516688426031 15.999 52 O 0.74540308294910 0.41300771086189 0.31483311573969 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.770724401449202 0.000000000000000 0.000000000000000 b 0.000000000000000 9.963609110000000 0.000000000000000 c -0.061382775830782 0.000000000000000 9.392102535695379 Atomic positions (fractional): *1 Ba 0.25044401351414 0.58711513928336 0.39230186108210 137.327 > 1 2 Ba 0.74955598648586 0.08711513928336 0.10769813891790 137.327 > 2 3 Ba 0.74955598648586 0.41288486071664 0.60769813891790 137.327 > 3 4 Ba 0.25044401351414 0.91288486071664 0.89230186108210 137.327 > 4 *5 Ge 0.93868736800128 0.80431824253787 0.56591105513564 72.640 > 5 6 Ge 0.06131263199872 0.30431824253787 0.93408894486436 72.640 > 6 7 Ge 0.06131263199872 0.19568175746213 0.43408894486436 72.640 > 7 8 Ge 0.93868736800128 0.69568175746213 0.06591105513564 72.640 > 8 *9 Ge 0.56267467749257 0.08352625548021 0.73519062282426 72.640 > 9 10 Ge 0.43732532250743 0.58352625548021 0.76480937717574 72.640 > 10 11 Ge 0.43732532250743 0.91647374451979 0.26480937717574 72.640 > 11 12 Ge 0.56267467749257 0.41647374451979 0.23519062282426 72.640 > 12 *13 Ga 0.57054428930888 0.80877841690331 0.56237040639894 69.723 > 13 14 Ga 0.42945571069112 0.30877841690331 0.93762959360106 69.723 > 14 15 Ga 0.42945571069112 0.19122158309669 0.43762959360106 69.723 > 15 16 Ga 0.57054428930888 0.69122158309669 0.06237040639894 69.723 > 16 *17 Ga 0.93356772471508 0.08009563450892 0.72784891787628 69.723 > 17 18 Ga 0.06643227528492 0.58009563450892 0.77215108212372 69.723 > 18 19 Ga 0.06643227528492 0.91990436549108 0.27215108212372 69.723 > 19 20 Ga 0.93356772471508 0.41990436549108 0.22784891787628 69.723 > 20 *21 O 0.01073775987743 0.91087096455956 0.70120192316634 15.999 > 21 22 O 0.98926224012257 0.41087096455956 0.79879807683366 15.999 > 22 23 O 0.98926224012257 0.08912903544044 0.29879807683366 15.999 > 23 24 O 0.01073775987743 0.58912903544044 0.20120192316634 15.999 > 24 *25 O 0.49068685547180 0.92293806388556 0.69797456914429 15.999 > 25 26 O 0.50931314452820 0.42293806388556 0.80202543085571 15.999 > 26 27 O 0.50931314452820 0.07706193611444 0.30202543085571 15.999 > 27 28 O 0.49068685547180 0.57706193611444 0.19797456914429 15.999 > 28 *29 O 0.93936896324590 0.63597905732534 0.62443217765021 15.999 > 29 30 O 0.06063103675410 0.13597905732534 0.87556782234979 15.999 > 30 31 O 0.06063103675410 0.36402094267466 0.37556782234979 15.999 > 31 32 O 0.93936896324590 0.86402094267466 0.12443217765021 15.999 > 32 *33 O 0.55908462296599 0.63340389113932 0.62495889455554 15.999 > 33 34 O 0.44091537703401 0.13340389113932 0.87504110544446 15.999 > 34 35 O 0.44091537703401 0.36659610886068 0.37504110544446 15.999 > 35 36 O 0.55908462296599 0.86659610886068 0.12495889455554 15.999 > 36 *37 O 0.07036025611906 0.80761862284744 0.42520160490981 15.999 > 37 38 O 0.92963974388094 0.30761862284744 0.07479839509019 15.999 > 38 39 O 0.92963974388094 0.19238137715256 0.57479839509019 15.999 > 39 40 O 0.07036025611906 0.69238137715256 0.92520160490981 15.999 > 40 *41 O 0.43617045761796 0.80738733832720 0.41028185994746 15.999 > 41 42 O 0.56382954238204 0.30738733832720 0.08971814005254 15.999 > 42 43 O 0.56382954238204 0.19261266167280 0.58971814005254 15.999 > 43 44 O 0.43617045761796 0.69261266167280 0.91028185994746 15.999 > 44 *45 O 0.76045565559967 0.86045483511090 0.50875298884378 15.999 > 45 46 O 0.23954434440033 0.36045483511090 0.99124701115622 15.999 > 46 47 O 0.23954434440033 0.13954516488910 0.49124701115622 15.999 > 47 48 O 0.76045565559967 0.63954516488910 0.00875298884378 15.999 > 48 *49 O 0.74540308294910 0.08699228913811 0.81483311573969 15.999 > 49 50 O 0.25459691705089 0.58699228913811 0.68516688426031 15.999 > 50 51 O 0.25459691705089 0.91300771086189 0.18516688426031 15.999 > 51 52 O 0.74540308294910 0.41300771086189 0.31483311573969 15.999 > 52 -------------------------------- super cell -------------------------------- Lattice vectors: a 17.541448802898405 0.000000000000000 0.000000000000000 b 0.000000000000000 9.963609110000000 0.000000000000000 c -0.061382775830782 0.000000000000000 9.392102535695379 Atomic positions (fractional): *1 Ba 0.12522200675707 0.58711513928336 0.39230186108210 137.327 > 1 2 Ba 0.62522200675707 0.58711513928336 0.39230186108210 137.327 > 1 3 Ba 0.37477799324293 0.08711513928336 0.10769813891790 137.327 > 2 4 Ba 0.87477799324293 0.08711513928336 0.10769813891790 137.327 > 2 5 Ba 0.37477799324293 0.41288486071664 0.60769813891790 137.327 > 3 6 Ba 0.87477799324293 0.41288486071664 0.60769813891790 137.327 > 3 7 Ba 0.12522200675707 0.91288486071664 0.89230186108210 137.327 > 4 8 Ba 0.62522200675707 0.91288486071664 0.89230186108210 137.327 > 4 *9 Ge 0.46934368400064 0.80431824253787 0.56591105513564 72.640 > 5 10 Ge 0.96934368400064 0.80431824253787 0.56591105513564 72.640 > 5 11 Ge 0.03065631599936 0.30431824253787 0.93408894486436 72.640 > 6 12 Ge 0.53065631599936 0.30431824253787 0.93408894486436 72.640 > 6 13 Ge 0.03065631599936 0.19568175746213 0.43408894486436 72.640 > 7 14 Ge 0.53065631599936 0.19568175746213 0.43408894486436 72.640 > 7 15 Ge 0.46934368400064 0.69568175746213 0.06591105513564 72.640 > 8 16 Ge 0.96934368400064 0.69568175746213 0.06591105513564 72.640 > 8 *17 Ge 0.28133733874629 0.08352625548021 0.73519062282426 72.640 > 9 18 Ge 0.78133733874629 0.08352625548021 0.73519062282426 72.640 > 9 19 Ge 0.21866266125371 0.58352625548021 0.76480937717574 72.640 > 10 20 Ge 0.71866266125371 0.58352625548021 0.76480937717574 72.640 > 10 21 Ge 0.21866266125371 0.91647374451979 0.26480937717574 72.640 > 11 22 Ge 0.71866266125371 0.91647374451979 0.26480937717574 72.640 > 11 23 Ge 0.28133733874629 0.41647374451979 0.23519062282426 72.640 > 12 24 Ge 0.78133733874629 0.41647374451979 0.23519062282426 72.640 > 12 *25 Ga 0.28527214465444 0.80877841690331 0.56237040639894 69.723 > 13 26 Ga 0.78527214465444 0.80877841690331 0.56237040639894 69.723 > 13 27 Ga 0.21472785534556 0.30877841690331 0.93762959360106 69.723 > 14 28 Ga 0.71472785534556 0.30877841690331 0.93762959360106 69.723 > 14 29 Ga 0.21472785534556 0.19122158309669 0.43762959360106 69.723 > 15 30 Ga 0.71472785534556 0.19122158309669 0.43762959360106 69.723 > 15 31 Ga 0.28527214465444 0.69122158309669 0.06237040639894 69.723 > 16 32 Ga 0.78527214465444 0.69122158309669 0.06237040639894 69.723 > 16 *33 Ga 0.46678386235754 0.08009563450892 0.72784891787628 69.723 > 17 34 Ga 0.96678386235754 0.08009563450892 0.72784891787628 69.723 > 17 35 Ga 0.03321613764246 0.58009563450892 0.77215108212372 69.723 > 18 36 Ga 0.53321613764246 0.58009563450892 0.77215108212372 69.723 > 18 37 Ga 0.03321613764246 0.91990436549108 0.27215108212372 69.723 > 19 38 Ga 0.53321613764246 0.91990436549108 0.27215108212372 69.723 > 19 39 Ga 0.46678386235754 0.41990436549108 0.22784891787628 69.723 > 20 40 Ga 0.96678386235754 0.41990436549108 0.22784891787628 69.723 > 20 *41 O 0.00536887993871 0.91087096455956 0.70120192316634 15.999 > 21 42 O 0.50536887993871 0.91087096455956 0.70120192316634 15.999 > 21 43 O 0.49463112006129 0.41087096455956 0.79879807683366 15.999 > 22 44 O 0.99463112006129 0.41087096455956 0.79879807683366 15.999 > 22 45 O 0.49463112006129 0.08912903544044 0.29879807683366 15.999 > 23 46 O 0.99463112006129 0.08912903544044 0.29879807683366 15.999 > 23 47 O 0.00536887993871 0.58912903544044 0.20120192316634 15.999 > 24 48 O 0.50536887993871 0.58912903544044 0.20120192316634 15.999 > 24 *49 O 0.24534342773590 0.92293806388556 0.69797456914429 15.999 > 25 50 O 0.74534342773590 0.92293806388556 0.69797456914429 15.999 > 25 51 O 0.25465657226410 0.42293806388556 0.80202543085571 15.999 > 26 52 O 0.75465657226410 0.42293806388556 0.80202543085571 15.999 > 26 53 O 0.25465657226410 0.07706193611444 0.30202543085571 15.999 > 27 54 O 0.75465657226410 0.07706193611444 0.30202543085571 15.999 > 27 55 O 0.24534342773590 0.57706193611444 0.19797456914429 15.999 > 28 56 O 0.74534342773590 0.57706193611444 0.19797456914429 15.999 > 28 *57 O 0.46968448162295 0.63597905732534 0.62443217765021 15.999 > 29 58 O 0.96968448162295 0.63597905732534 0.62443217765021 15.999 > 29 59 O 0.03031551837705 0.13597905732534 0.87556782234979 15.999 > 30 60 O 0.53031551837705 0.13597905732534 0.87556782234979 15.999 > 30 61 O 0.03031551837705 0.36402094267466 0.37556782234979 15.999 > 31 62 O 0.53031551837705 0.36402094267466 0.37556782234979 15.999 > 31 63 O 0.46968448162295 0.86402094267466 0.12443217765021 15.999 > 32 64 O 0.96968448162295 0.86402094267466 0.12443217765021 15.999 > 32 *65 O 0.27954231148300 0.63340389113932 0.62495889455554 15.999 > 33 66 O 0.77954231148300 0.63340389113932 0.62495889455554 15.999 > 33 67 O 0.22045768851700 0.13340389113932 0.87504110544446 15.999 > 34 68 O 0.72045768851700 0.13340389113932 0.87504110544446 15.999 > 34 69 O 0.22045768851700 0.36659610886068 0.37504110544446 15.999 > 35 70 O 0.72045768851700 0.36659610886068 0.37504110544446 15.999 > 35 71 O 0.27954231148300 0.86659610886068 0.12495889455554 15.999 > 36 72 O 0.77954231148300 0.86659610886068 0.12495889455554 15.999 > 36 *73 O 0.03518012805953 0.80761862284744 0.42520160490981 15.999 > 37 74 O 0.53518012805953 0.80761862284744 0.42520160490981 15.999 > 37 75 O 0.46481987194047 0.30761862284744 0.07479839509019 15.999 > 38 76 O 0.96481987194047 0.30761862284744 0.07479839509019 15.999 > 38 77 O 0.46481987194047 0.19238137715256 0.57479839509019 15.999 > 39 78 O 0.96481987194047 0.19238137715256 0.57479839509019 15.999 > 39 79 O 0.03518012805953 0.69238137715256 0.92520160490981 15.999 > 40 80 O 0.53518012805953 0.69238137715256 0.92520160490981 15.999 > 40 *81 O 0.21808522880898 0.80738733832720 0.41028185994746 15.999 > 41 82 O 0.71808522880898 0.80738733832720 0.41028185994746 15.999 > 41 83 O 0.28191477119102 0.30738733832720 0.08971814005254 15.999 > 42 84 O 0.78191477119102 0.30738733832720 0.08971814005254 15.999 > 42 85 O 0.28191477119102 0.19261266167280 0.58971814005254 15.999 > 43 86 O 0.78191477119102 0.19261266167280 0.58971814005254 15.999 > 43 87 O 0.21808522880898 0.69261266167280 0.91028185994746 15.999 > 44 88 O 0.71808522880898 0.69261266167280 0.91028185994746 15.999 > 44 *89 O 0.38022782779984 0.86045483511090 0.50875298884378 15.999 > 45 90 O 0.88022782779984 0.86045483511090 0.50875298884378 15.999 > 45 91 O 0.11977217220016 0.36045483511090 0.99124701115622 15.999 > 46 92 O 0.61977217220016 0.36045483511090 0.99124701115622 15.999 > 46 93 O 0.11977217220016 0.13954516488910 0.49124701115622 15.999 > 47 94 O 0.61977217220016 0.13954516488910 0.49124701115622 15.999 > 47 95 O 0.38022782779984 0.63954516488910 0.00875298884378 15.999 > 48 96 O 0.88022782779984 0.63954516488910 0.00875298884378 15.999 > 48 *97 O 0.37270154147455 0.08699228913811 0.81483311573969 15.999 > 49 98 O 0.87270154147455 0.08699228913811 0.81483311573969 15.999 > 49 99 O 0.12729845852545 0.58699228913811 0.68516688426031 15.999 > 50 100 O 0.62729845852545 0.58699228913811 0.68516688426031 15.999 > 50 101 O 0.12729845852545 0.91300771086189 0.18516688426031 15.999 > 51 102 O 0.62729845852545 0.91300771086189 0.18516688426031 15.999 > 51 103 O 0.37270154147455 0.41300771086189 0.31483311573969 15.999 > 52 104 O 0.87270154147455 0.41300771086189 0.31483311573969 15.999 > 52 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0887017 0.0000000 -0.0055745 0.0000000 3.1174952 0.0000000 -0.0055457 0.0000000 3.0258386 -------------------------- Born effective charges -------------------------- 1 Ba 2.8560226 -0.0540058 0.0239528 -0.0340450 2.8443090 0.2495689 -0.0049328 0.2621408 2.5325927 2 Ba 2.8560226 0.0540058 0.0239528 0.0340450 2.8443090 -0.2495689 -0.0049328 -0.2621408 2.5325927 3 Ba 2.8560226 -0.0540058 0.0239528 -0.0340450 2.8443090 0.2495689 -0.0049328 0.2621408 2.5325927 4 Ba 2.8560226 0.0540058 0.0239528 0.0340450 2.8443090 -0.2495689 -0.0049328 -0.2621408 2.5325927 5 Ge 3.1070125 -0.4389596 0.0170991 0.2241078 3.2173787 0.1669898 -0.4488047 -0.2031129 3.0850071 6 Ge 3.1070125 0.4389596 0.0170991 -0.2241078 3.2173787 -0.1669898 -0.4488047 0.2031129 3.0850071 7 Ge 3.1070125 -0.4389596 0.0170991 0.2241078 3.2173787 0.1669898 -0.4488047 -0.2031129 3.0850071 8 Ge 3.1070125 0.4389596 0.0170991 -0.2241078 3.2173787 -0.1669898 -0.4488047 0.2031129 3.0850071 9 Ge 3.0894707 -0.1437161 0.1820176 0.0416487 3.0553342 0.2488799 -0.1529923 -0.0838628 3.0905892 10 Ge 3.0894707 0.1437161 0.1820176 -0.0416487 3.0553342 -0.2488799 -0.1529923 0.0838628 3.0905892 11 Ge 3.0894707 -0.1437161 0.1820176 0.0416487 3.0553342 0.2488799 -0.1529923 -0.0838628 3.0905892 12 Ge 3.0894707 0.1437161 0.1820176 -0.0416487 3.0553342 -0.2488799 -0.1529923 0.0838628 3.0905892 13 Ga 2.8169486 0.4065055 -0.0127352 -0.2364505 2.8222008 0.1384950 0.3594148 -0.1754777 2.7331821 14 Ga 2.8169486 -0.4065055 -0.0127352 0.2364505 2.8222008 -0.1384950 0.3594148 0.1754777 2.7331821 15 Ga 2.8169486 0.4065055 -0.0127352 -0.2364505 2.8222008 0.1384950 0.3594148 -0.1754777 2.7331821 16 Ga 2.8169486 -0.4065055 -0.0127352 0.2364505 2.8222008 -0.1384950 0.3594148 0.1754777 2.7331821 17 Ga 2.6905044 0.1339652 -0.2453000 0.0066305 2.7699702 0.2706136 0.1109972 -0.0241731 2.7282106 18 Ga 2.6905044 -0.1339652 -0.2453000 -0.0066305 2.7699702 -0.2706136 0.1109972 0.0241731 2.7282106 19 Ga 2.6905044 0.1339652 -0.2453000 0.0066305 2.7699702 0.2706136 0.1109972 -0.0241731 2.7282106 20 Ga 2.6905044 -0.1339652 -0.2453000 -0.0066305 2.7699702 -0.2706136 0.1109972 0.0241731 2.7282106 21 O -1.4360089 0.0583594 -0.3442795 0.0150510 -2.2853388 -0.6250695 -0.3792825 -0.4567856 -1.7160694 22 O -1.4360089 -0.0583594 -0.3442795 -0.0150510 -2.2853388 0.6250695 -0.3792825 0.4567856 -1.7160694 23 O -1.4360089 0.0583594 -0.3442795 0.0150510 -2.2853388 -0.6250695 -0.3792825 -0.4567856 -1.7160694 24 O -1.4360089 -0.0583594 -0.3442795 -0.0150510 -2.2853388 0.6250695 -0.3792825 0.4567856 -1.7160694 25 O -1.4368676 -0.1078038 0.2938672 -0.1109194 -2.3329989 -0.5788576 0.3020284 -0.4484727 -1.6057247 26 O -1.4368676 0.1078038 0.2938672 0.1109194 -2.3329989 0.5788576 0.3020284 0.4484727 -1.6057247 27 O -1.4368676 -0.1078038 0.2938672 -0.1109194 -2.3329989 -0.5788576 0.3020284 -0.4484727 -1.6057247 28 O -1.4368676 0.1078038 0.2938672 0.1109194 -2.3329989 0.5788576 0.3020284 0.4484727 -1.6057247 29 O -1.5528575 0.1488656 -0.3257305 0.0273746 -2.3469391 0.5232996 -0.2876134 0.5613110 -1.6791824 30 O -1.5528575 -0.1488656 -0.3257305 -0.0273746 -2.3469391 -0.5232996 -0.2876134 -0.5613110 -1.6791824 31 O -1.5528575 0.1488656 -0.3257305 0.0273746 -2.3469391 0.5232996 -0.2876134 0.5613110 -1.6791824 32 O -1.5528575 -0.1488656 -0.3257305 -0.0273746 -2.3469391 -0.5232996 -0.2876134 -0.5613110 -1.6791824 33 O -1.6524649 -0.1827087 0.4244423 -0.0861212 -2.1565848 0.5038091 0.4124867 0.4897969 -1.7528397 34 O -1.6524649 0.1827087 0.4244423 0.0861212 -2.1565848 -0.5038091 0.4124867 -0.4897969 -1.7528397 35 O -1.6524649 -0.1827087 0.4244423 -0.0861212 -2.1565848 0.5038091 0.4124867 0.4897969 -1.7528397 36 O -1.6524649 0.1827087 0.4244423 0.0861212 -2.1565848 -0.5038091 0.4124867 -0.4897969 -1.7528397 37 O -1.5800360 0.1458578 0.5973164 0.1397793 -1.6295049 0.2542559 0.6589079 0.3776282 -2.2491904 38 O -1.5800360 -0.1458578 0.5973164 -0.1397793 -1.6295049 -0.2542559 0.6589079 -0.3776282 -2.2491904 39 O -1.5800360 0.1458578 0.5973164 0.1397793 -1.6295049 0.2542559 0.6589079 0.3776282 -2.2491904 40 O -1.5800360 -0.1458578 0.5973164 -0.1397793 -1.6295049 -0.2542559 0.6589079 -0.3776282 -2.2491904 41 O -1.4927675 -0.1276188 -0.4850266 -0.1578577 -1.6924258 0.3329803 -0.5043387 0.4884717 -2.2497297 42 O -1.4927675 0.1276188 -0.4850266 0.1578577 -1.6924258 -0.3329803 -0.5043387 -0.4884717 -2.2497297 43 O -1.4927675 -0.1276188 -0.4850266 -0.1578577 -1.6924258 0.3329803 -0.5043387 0.4884717 -2.2497297 44 O -1.4927675 0.1276188 -0.4850266 0.1578577 -1.6924258 -0.3329803 -0.5043387 -0.4884717 -2.2497297 45 O -2.7945500 0.0711523 -0.0577885 0.0631939 -1.1677260 -0.0426215 -0.0217642 0.0679807 -1.1372881 46 O -2.7945500 -0.0711523 -0.0577885 -0.0631939 -1.1677260 0.0426215 -0.0217642 -0.0679807 -1.1372881 47 O -2.7945500 0.0711523 -0.0577885 0.0631939 -1.1677260 -0.0426215 -0.0217642 0.0679807 -1.1372881 48 O -2.7945500 -0.0711523 -0.0577885 -0.0631939 -1.1677260 0.0426215 -0.0217642 -0.0679807 -1.1372881 49 O -2.6144066 0.0101679 -0.0678352 -0.0045502 -1.0976747 -0.0374161 -0.0441064 0.0303177 -1.7795573 50 O -2.6144066 -0.0101679 -0.0678352 0.0045502 -1.0976747 0.0374161 -0.0441064 -0.0303177 -1.7795573 51 O -2.6144066 0.0101679 -0.0678352 -0.0045502 -1.0976747 -0.0374161 -0.0441064 0.0303177 -1.7795573 52 O -2.6144066 -0.0101679 -0.0678352 0.0045502 -1.0976747 0.0374161 -0.0441064 -0.0303177 -1.7795573 ---------------------------------------------------------------------------- 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: 312/312 Permutation basis: 24492/24492 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6240 Number of blocks in projector: 6240 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: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1352 / 1352 (1) 326 eigenvectors found. (1) Complementary block size: 74 (1) Compute compressed projector. (1) Use standard solver. (1) 48 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1352 / 1352 (1) 326 eigenvectors found. (1) Complementary block size: 74 (1) Compute compressed projector. (1) Use standard solver. (1) 48 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 1352 / 1352 (1) 339 eigenvectors found. (1) Complementary block size: 59 (1) Compute compressed projector. (1) Use standard solver. (1) 34 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 728 Use submatrix version of eigh solver. (1) Block: 500 / 728 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 728 / 728 (1) 215 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 728 Use submatrix version of eigh solver. (1) Block: 500 / 728 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 728 / 728 (1) 215 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 728 Use submatrix version of eigh solver. (1) Block: 500 / 728 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 728 / 728 (1) 215 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. Tree of FC basis block matrices: - (6240, 6124), data: False |-- (728, 715), data: False |-- (728, 13), data: (728, 26) @ (26, 13) |-- (228, 215), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (728, 715), data: False |-- (728, 13), data: (728, 26) @ (26, 13) |-- (228, 215), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (728, 715), data: False |-- (728, 13), data: (728, 26) @ (26, 13) |-- (228, 215), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (1352, 1327), data: False |-- (1352, 34), data: (1352, 59) @ (59, 34) |-- (352, 339), data: True |-- (500, 479), data: False |-- (500, 17), data: (500, 38) @ (38, 17) |-- (250, 233), data: True |-- (250, 229), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (1352, 1326), data: False |-- (1352, 48), data: (1352, 74) @ (74, 48) |-- (352, 326), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (1352, 1326), data: False |-- (1352, 48), data: (1352, 74) @ (74, 48) |-- (352, 326), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True ----- Solver_atoms: 1 -- 104 / 104 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 1600 - Time: 1.550 Solver_block: 200 / 1600 - Time: 1.392 Solver_block: 300 / 1600 - Time: 1.395 Solver_block: 400 / 1600 - Time: 1.398 Solver_block: 500 / 1600 - Time: 1.395 Solver_block: 600 / 1600 - Time: 1.390 Solver_block: 700 / 1600 - Time: 1.396 Solver_block: 800 / 1600 - Time: 1.399 Solver_block: 900 / 1600 - Time: 1.402 Solver_block: 1000 / 1600 - Time: 1.394 Solver_block: 1100 / 1600 - Time: 1.395 Solver_block: 1200 / 1600 - Time: 1.397 Solver_block: 1300 / 1600 - Time: 1.399 Solver_block: 1400 / 1600 - Time: 1.398 Solver_block: 1500 / 1600 - Time: 1.400 Solver_block: 1600 / 1600 - Time: 1.402 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 23.143 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 312/312 Permutation basis: 24492/24492 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6240 Number of blocks in projector: 6240 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: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1352 / 1352 (1) 326 eigenvectors found. (1) Complementary block size: 74 (1) Compute compressed projector. (1) Use standard solver. (1) 48 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1352 / 1352 (1) 326 eigenvectors found. (1) Complementary block size: 74 (1) Compute compressed projector. (1) Use standard solver. (1) 48 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 1352 / 1352 (1) 339 eigenvectors found. (1) Complementary block size: 59 (1) Compute compressed projector. (1) Use standard solver. (1) 34 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 728 Use submatrix version of eigh solver. (1) Block: 500 / 728 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 728 / 728 (1) 215 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 728 Use submatrix version of eigh solver. (1) Block: 500 / 728 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 728 / 728 (1) 215 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 728 Use submatrix version of eigh solver. (1) Block: 500 / 728 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 728 / 728 (1) 215 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. Tree of FC basis block matrices: - (6240, 6124), data: False |-- (728, 715), data: False |-- (728, 13), data: (728, 26) @ (26, 13) |-- (228, 215), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (728, 715), data: False |-- (728, 13), data: (728, 26) @ (26, 13) |-- (228, 215), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (728, 715), data: False |-- (728, 13), data: (728, 26) @ (26, 13) |-- (228, 215), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (1352, 1327), data: False |-- (1352, 34), data: (1352, 59) @ (59, 34) |-- (352, 339), data: True |-- (500, 479), data: False |-- (500, 17), data: (500, 38) @ (38, 17) |-- (250, 233), data: True |-- (250, 229), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (1352, 1326), data: False |-- (1352, 48), data: (1352, 74) @ (74, 48) |-- (352, 326), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (1352, 1326), data: False |-- (1352, 48), data: (1352, 74) @ (74, 48) |-- (352, 326), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), 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 2026-01-08 09:54:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:54:50]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.770724401449202 0.000000000000000 0.000000000000000 b 0.000000000000000 9.963609110000000 0.000000000000000 c -0.061382775830782 0.000000000000000 9.392102535695379 Atomic positions (fractional): 1 Ba 0.25044401351414 0.58711513928336 0.39230186108210 137.327 2 Ba 0.74955598648586 0.08711513928336 0.10769813891790 137.327 3 Ba 0.74955598648586 0.41288486071664 0.60769813891790 137.327 4 Ba 0.25044401351414 0.91288486071664 0.89230186108210 137.327 5 Ge 0.93868736800128 0.80431824253787 0.56591105513564 72.640 6 Ge 0.06131263199872 0.30431824253787 0.93408894486436 72.640 7 Ge 0.06131263199872 0.19568175746213 0.43408894486436 72.640 8 Ge 0.93868736800128 0.69568175746213 0.06591105513564 72.640 9 Ge 0.56267467749257 0.08352625548021 0.73519062282426 72.640 10 Ge 0.43732532250743 0.58352625548021 0.76480937717574 72.640 11 Ge 0.43732532250743 0.91647374451979 0.26480937717574 72.640 12 Ge 0.56267467749257 0.41647374451979 0.23519062282426 72.640 13 Ga 0.57054428930888 0.80877841690331 0.56237040639894 69.723 14 Ga 0.42945571069112 0.30877841690331 0.93762959360106 69.723 15 Ga 0.42945571069112 0.19122158309669 0.43762959360106 69.723 16 Ga 0.57054428930888 0.69122158309669 0.06237040639894 69.723 17 Ga 0.93356772471508 0.08009563450892 0.72784891787628 69.723 18 Ga 0.06643227528492 0.58009563450892 0.77215108212372 69.723 19 Ga 0.06643227528492 0.91990436549108 0.27215108212372 69.723 20 Ga 0.93356772471508 0.41990436549108 0.22784891787628 69.723 21 O 0.01073775987743 0.91087096455956 0.70120192316634 15.999 22 O 0.98926224012257 0.41087096455956 0.79879807683366 15.999 23 O 0.98926224012257 0.08912903544044 0.29879807683366 15.999 24 O 0.01073775987743 0.58912903544044 0.20120192316634 15.999 25 O 0.49068685547180 0.92293806388556 0.69797456914429 15.999 26 O 0.50931314452820 0.42293806388556 0.80202543085571 15.999 27 O 0.50931314452820 0.07706193611444 0.30202543085571 15.999 28 O 0.49068685547180 0.57706193611444 0.19797456914429 15.999 29 O 0.93936896324590 0.63597905732534 0.62443217765021 15.999 30 O 0.06063103675410 0.13597905732534 0.87556782234979 15.999 31 O 0.06063103675410 0.36402094267466 0.37556782234979 15.999 32 O 0.93936896324590 0.86402094267466 0.12443217765021 15.999 33 O 0.55908462296599 0.63340389113932 0.62495889455554 15.999 34 O 0.44091537703401 0.13340389113932 0.87504110544446 15.999 35 O 0.44091537703401 0.36659610886068 0.37504110544446 15.999 36 O 0.55908462296599 0.86659610886068 0.12495889455554 15.999 37 O 0.07036025611906 0.80761862284744 0.42520160490981 15.999 38 O 0.92963974388094 0.30761862284744 0.07479839509019 15.999 39 O 0.92963974388094 0.19238137715256 0.57479839509019 15.999 40 O 0.07036025611906 0.69238137715256 0.92520160490981 15.999 41 O 0.43617045761796 0.80738733832720 0.41028185994746 15.999 42 O 0.56382954238204 0.30738733832720 0.08971814005254 15.999 43 O 0.56382954238204 0.19261266167280 0.58971814005254 15.999 44 O 0.43617045761796 0.69261266167280 0.91028185994746 15.999 45 O 0.76045565559967 0.86045483511090 0.50875298884378 15.999 46 O 0.23954434440033 0.36045483511090 0.99124701115622 15.999 47 O 0.23954434440033 0.13954516488910 0.49124701115622 15.999 48 O 0.76045565559967 0.63954516488910 0.00875298884378 15.999 49 O 0.74540308294910 0.08699228913811 0.81483311573969 15.999 50 O 0.25459691705089 0.58699228913811 0.68516688426031 15.999 51 O 0.25459691705089 0.91300771086189 0.18516688426031 15.999 52 O 0.74540308294910 0.41300771086189 0.31483311573969 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.541448802898405 0.000000000000000 0.000000000000000 b 0.000000000000000 9.963609110000000 0.000000000000000 c -0.061382775830782 0.000000000000000 9.392102535695379 Atomic positions (fractional): 1 Ba 0.12522200675707 0.58711513928336 0.39230186108210 137.327 > 1 2 Ba 0.62522200675707 0.58711513928336 0.39230186108210 137.327 > 1 3 Ba 0.37477799324293 0.08711513928336 0.10769813891790 137.327 > 3 4 Ba 0.87477799324293 0.08711513928336 0.10769813891790 137.327 > 3 5 Ba 0.37477799324293 0.41288486071664 0.60769813891790 137.327 > 5 6 Ba 0.87477799324293 0.41288486071664 0.60769813891790 137.327 > 5 7 Ba 0.12522200675707 0.91288486071664 0.89230186108210 137.327 > 7 8 Ba 0.62522200675707 0.91288486071664 0.89230186108210 137.327 > 7 9 Ge 0.46934368400064 0.80431824253787 0.56591105513564 72.640 > 9 10 Ge 0.96934368400064 0.80431824253787 0.56591105513564 72.640 > 9 11 Ge 0.03065631599936 0.30431824253787 0.93408894486436 72.640 > 11 12 Ge 0.53065631599936 0.30431824253787 0.93408894486436 72.640 > 11 13 Ge 0.03065631599936 0.19568175746213 0.43408894486436 72.640 > 13 14 Ge 0.53065631599936 0.19568175746213 0.43408894486436 72.640 > 13 15 Ge 0.46934368400064 0.69568175746213 0.06591105513564 72.640 > 15 16 Ge 0.96934368400064 0.69568175746213 0.06591105513564 72.640 > 15 17 Ge 0.28133733874629 0.08352625548021 0.73519062282426 72.640 > 17 18 Ge 0.78133733874629 0.08352625548021 0.73519062282426 72.640 > 17 19 Ge 0.21866266125371 0.58352625548021 0.76480937717574 72.640 > 19 20 Ge 0.71866266125371 0.58352625548021 0.76480937717574 72.640 > 19 21 Ge 0.21866266125371 0.91647374451979 0.26480937717574 72.640 > 21 22 Ge 0.71866266125371 0.91647374451979 0.26480937717574 72.640 > 21 23 Ge 0.28133733874629 0.41647374451979 0.23519062282426 72.640 > 23 24 Ge 0.78133733874629 0.41647374451979 0.23519062282426 72.640 > 23 25 Ga 0.28527214465444 0.80877841690331 0.56237040639894 69.723 > 25 26 Ga 0.78527214465444 0.80877841690331 0.56237040639894 69.723 > 25 27 Ga 0.21472785534556 0.30877841690331 0.93762959360106 69.723 > 27 28 Ga 0.71472785534556 0.30877841690331 0.93762959360106 69.723 > 27 29 Ga 0.21472785534556 0.19122158309669 0.43762959360106 69.723 > 29 30 Ga 0.71472785534556 0.19122158309669 0.43762959360106 69.723 > 29 31 Ga 0.28527214465444 0.69122158309669 0.06237040639894 69.723 > 31 32 Ga 0.78527214465444 0.69122158309669 0.06237040639894 69.723 > 31 33 Ga 0.46678386235754 0.08009563450892 0.72784891787628 69.723 > 33 34 Ga 0.96678386235754 0.08009563450892 0.72784891787628 69.723 > 33 35 Ga 0.03321613764246 0.58009563450892 0.77215108212372 69.723 > 35 36 Ga 0.53321613764246 0.58009563450892 0.77215108212372 69.723 > 35 37 Ga 0.03321613764246 0.91990436549108 0.27215108212372 69.723 > 37 38 Ga 0.53321613764246 0.91990436549108 0.27215108212372 69.723 > 37 39 Ga 0.46678386235754 0.41990436549108 0.22784891787628 69.723 > 39 40 Ga 0.96678386235754 0.41990436549108 0.22784891787628 69.723 > 39 41 O 0.00536887993871 0.91087096455956 0.70120192316634 15.999 > 41 42 O 0.50536887993871 0.91087096455956 0.70120192316634 15.999 > 41 43 O 0.49463112006129 0.41087096455956 0.79879807683366 15.999 > 43 44 O 0.99463112006129 0.41087096455956 0.79879807683366 15.999 > 43 45 O 0.49463112006129 0.08912903544044 0.29879807683366 15.999 > 45 46 O 0.99463112006129 0.08912903544044 0.29879807683366 15.999 > 45 47 O 0.00536887993871 0.58912903544044 0.20120192316634 15.999 > 47 48 O 0.50536887993871 0.58912903544044 0.20120192316634 15.999 > 47 49 O 0.24534342773590 0.92293806388556 0.69797456914429 15.999 > 49 50 O 0.74534342773590 0.92293806388556 0.69797456914429 15.999 > 49 51 O 0.25465657226410 0.42293806388556 0.80202543085571 15.999 > 51 52 O 0.75465657226410 0.42293806388556 0.80202543085571 15.999 > 51 53 O 0.25465657226410 0.07706193611444 0.30202543085571 15.999 > 53 54 O 0.75465657226410 0.07706193611444 0.30202543085571 15.999 > 53 55 O 0.24534342773590 0.57706193611444 0.19797456914429 15.999 > 55 56 O 0.74534342773590 0.57706193611444 0.19797456914429 15.999 > 55 57 O 0.46968448162295 0.63597905732534 0.62443217765021 15.999 > 57 58 O 0.96968448162295 0.63597905732534 0.62443217765021 15.999 > 57 59 O 0.03031551837705 0.13597905732534 0.87556782234979 15.999 > 59 60 O 0.53031551837705 0.13597905732534 0.87556782234979 15.999 > 59 61 O 0.03031551837705 0.36402094267466 0.37556782234979 15.999 > 61 62 O 0.53031551837705 0.36402094267466 0.37556782234979 15.999 > 61 63 O 0.46968448162295 0.86402094267466 0.12443217765021 15.999 > 63 64 O 0.96968448162295 0.86402094267466 0.12443217765021 15.999 > 63 65 O 0.27954231148300 0.63340389113932 0.62495889455554 15.999 > 65 66 O 0.77954231148300 0.63340389113932 0.62495889455554 15.999 > 65 67 O 0.22045768851700 0.13340389113932 0.87504110544446 15.999 > 67 68 O 0.72045768851700 0.13340389113932 0.87504110544446 15.999 > 67 69 O 0.22045768851700 0.36659610886068 0.37504110544446 15.999 > 69 70 O 0.72045768851700 0.36659610886068 0.37504110544446 15.999 > 69 71 O 0.27954231148300 0.86659610886068 0.12495889455554 15.999 > 71 72 O 0.77954231148300 0.86659610886068 0.12495889455554 15.999 > 71 73 O 0.03518012805953 0.80761862284744 0.42520160490981 15.999 > 73 74 O 0.53518012805953 0.80761862284744 0.42520160490981 15.999 > 73 75 O 0.46481987194047 0.30761862284744 0.07479839509019 15.999 > 75 76 O 0.96481987194047 0.30761862284744 0.07479839509019 15.999 > 75 77 O 0.46481987194047 0.19238137715256 0.57479839509019 15.999 > 77 78 O 0.96481987194047 0.19238137715256 0.57479839509019 15.999 > 77 79 O 0.03518012805953 0.69238137715256 0.92520160490981 15.999 > 79 80 O 0.53518012805953 0.69238137715256 0.92520160490981 15.999 > 79 81 O 0.21808522880898 0.80738733832720 0.41028185994746 15.999 > 81 82 O 0.71808522880898 0.80738733832720 0.41028185994746 15.999 > 81 83 O 0.28191477119102 0.30738733832720 0.08971814005254 15.999 > 83 84 O 0.78191477119102 0.30738733832720 0.08971814005254 15.999 > 83 85 O 0.28191477119102 0.19261266167280 0.58971814005254 15.999 > 85 86 O 0.78191477119102 0.19261266167280 0.58971814005254 15.999 > 85 87 O 0.21808522880898 0.69261266167280 0.91028185994746 15.999 > 87 88 O 0.71808522880898 0.69261266167280 0.91028185994746 15.999 > 87 89 O 0.38022782779984 0.86045483511090 0.50875298884378 15.999 > 89 90 O 0.88022782779984 0.86045483511090 0.50875298884378 15.999 > 89 91 O 0.11977217220016 0.36045483511090 0.99124701115622 15.999 > 91 92 O 0.61977217220016 0.36045483511090 0.99124701115622 15.999 > 91 93 O 0.11977217220016 0.13954516488910 0.49124701115622 15.999 > 93 94 O 0.61977217220016 0.13954516488910 0.49124701115622 15.999 > 93 95 O 0.38022782779984 0.63954516488910 0.00875298884378 15.999 > 95 96 O 0.88022782779984 0.63954516488910 0.00875298884378 15.999 > 95 97 O 0.37270154147455 0.08699228913811 0.81483311573969 15.999 > 97 98 O 0.87270154147455 0.08699228913811 0.81483311573969 15.999 > 97 99 O 0.12729845852545 0.58699228913811 0.68516688426031 15.999 > 99 100 O 0.62729845852545 0.58699228913811 0.68516688426031 15.999 > 99 101 O 0.12729845852545 0.91300771086189 0.18516688426031 15.999 > 101 102 O 0.62729845852545 0.91300771086189 0.18516688426031 15.999 > 101 103 O 0.37270154147455 0.41300771086189 0.31483311573969 15.999 > 103 104 O 0.87270154147455 0.41300771086189 0.31483311573969 15.999 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0887017 0.0000000 -0.0055745 0.0000000 3.1174952 0.0000000 -0.0055457 0.0000000 3.0258386 -------------------------- Born effective charges -------------------------- 1 Ba 2.8560226 -0.0540058 0.0239528 -0.0340450 2.8443090 0.2495689 -0.0049328 0.2621408 2.5325927 2 Ba 2.8560226 0.0540058 0.0239528 0.0340450 2.8443090 -0.2495689 -0.0049328 -0.2621408 2.5325927 3 Ba 2.8560226 -0.0540058 0.0239528 -0.0340450 2.8443090 0.2495689 -0.0049328 0.2621408 2.5325927 4 Ba 2.8560226 0.0540058 0.0239528 0.0340450 2.8443090 -0.2495689 -0.0049328 -0.2621408 2.5325927 5 Ge 3.1070125 -0.4389596 0.0170991 0.2241078 3.2173787 0.1669898 -0.4488047 -0.2031129 3.0850071 6 Ge 3.1070125 0.4389596 0.0170991 -0.2241078 3.2173787 -0.1669898 -0.4488047 0.2031129 3.0850071 7 Ge 3.1070125 -0.4389596 0.0170991 0.2241078 3.2173787 0.1669898 -0.4488047 -0.2031129 3.0850071 8 Ge 3.1070125 0.4389596 0.0170991 -0.2241078 3.2173787 -0.1669898 -0.4488047 0.2031129 3.0850071 9 Ge 3.0894707 -0.1437161 0.1820176 0.0416487 3.0553342 0.2488799 -0.1529923 -0.0838628 3.0905892 10 Ge 3.0894707 0.1437161 0.1820176 -0.0416487 3.0553342 -0.2488799 -0.1529923 0.0838628 3.0905892 11 Ge 3.0894707 -0.1437161 0.1820176 0.0416487 3.0553342 0.2488799 -0.1529923 -0.0838628 3.0905892 12 Ge 3.0894707 0.1437161 0.1820176 -0.0416487 3.0553342 -0.2488799 -0.1529923 0.0838628 3.0905892 13 Ga 2.8169486 0.4065055 -0.0127352 -0.2364505 2.8222008 0.1384950 0.3594148 -0.1754777 2.7331821 14 Ga 2.8169486 -0.4065055 -0.0127352 0.2364505 2.8222008 -0.1384950 0.3594148 0.1754777 2.7331821 15 Ga 2.8169486 0.4065055 -0.0127352 -0.2364505 2.8222008 0.1384950 0.3594148 -0.1754777 2.7331821 16 Ga 2.8169486 -0.4065055 -0.0127352 0.2364505 2.8222008 -0.1384950 0.3594148 0.1754777 2.7331821 17 Ga 2.6905044 0.1339652 -0.2453000 0.0066305 2.7699702 0.2706136 0.1109972 -0.0241731 2.7282106 18 Ga 2.6905044 -0.1339652 -0.2453000 -0.0066305 2.7699702 -0.2706136 0.1109972 0.0241731 2.7282106 19 Ga 2.6905044 0.1339652 -0.2453000 0.0066305 2.7699702 0.2706136 0.1109972 -0.0241731 2.7282106 20 Ga 2.6905044 -0.1339652 -0.2453000 -0.0066305 2.7699702 -0.2706136 0.1109972 0.0241731 2.7282106 21 O -1.4360089 0.0583594 -0.3442795 0.0150510 -2.2853388 -0.6250695 -0.3792825 -0.4567856 -1.7160694 22 O -1.4360089 -0.0583594 -0.3442795 -0.0150510 -2.2853388 0.6250695 -0.3792825 0.4567856 -1.7160694 23 O -1.4360089 0.0583594 -0.3442795 0.0150510 -2.2853388 -0.6250695 -0.3792825 -0.4567856 -1.7160694 24 O -1.4360089 -0.0583594 -0.3442795 -0.0150510 -2.2853388 0.6250695 -0.3792825 0.4567856 -1.7160694 25 O -1.4368676 -0.1078038 0.2938672 -0.1109194 -2.3329989 -0.5788576 0.3020284 -0.4484727 -1.6057247 26 O -1.4368676 0.1078038 0.2938672 0.1109194 -2.3329989 0.5788576 0.3020284 0.4484727 -1.6057247 27 O -1.4368676 -0.1078038 0.2938672 -0.1109194 -2.3329989 -0.5788576 0.3020284 -0.4484727 -1.6057247 28 O -1.4368676 0.1078038 0.2938672 0.1109194 -2.3329989 0.5788576 0.3020284 0.4484727 -1.6057247 29 O -1.5528575 0.1488656 -0.3257305 0.0273746 -2.3469391 0.5232996 -0.2876134 0.5613110 -1.6791824 30 O -1.5528575 -0.1488656 -0.3257305 -0.0273746 -2.3469391 -0.5232996 -0.2876134 -0.5613110 -1.6791824 31 O -1.5528575 0.1488656 -0.3257305 0.0273746 -2.3469391 0.5232996 -0.2876134 0.5613110 -1.6791824 32 O -1.5528575 -0.1488656 -0.3257305 -0.0273746 -2.3469391 -0.5232996 -0.2876134 -0.5613110 -1.6791824 33 O -1.6524649 -0.1827087 0.4244423 -0.0861212 -2.1565848 0.5038091 0.4124867 0.4897969 -1.7528397 34 O -1.6524649 0.1827087 0.4244423 0.0861212 -2.1565848 -0.5038091 0.4124867 -0.4897969 -1.7528397 35 O -1.6524649 -0.1827087 0.4244423 -0.0861212 -2.1565848 0.5038091 0.4124867 0.4897969 -1.7528397 36 O -1.6524649 0.1827087 0.4244423 0.0861212 -2.1565848 -0.5038091 0.4124867 -0.4897969 -1.7528397 37 O -1.5800360 0.1458578 0.5973164 0.1397793 -1.6295049 0.2542559 0.6589079 0.3776282 -2.2491904 38 O -1.5800360 -0.1458578 0.5973164 -0.1397793 -1.6295049 -0.2542559 0.6589079 -0.3776282 -2.2491904 39 O -1.5800360 0.1458578 0.5973164 0.1397793 -1.6295049 0.2542559 0.6589079 0.3776282 -2.2491904 40 O -1.5800360 -0.1458578 0.5973164 -0.1397793 -1.6295049 -0.2542559 0.6589079 -0.3776282 -2.2491904 41 O -1.4927675 -0.1276188 -0.4850266 -0.1578577 -1.6924258 0.3329803 -0.5043387 0.4884717 -2.2497297 42 O -1.4927675 0.1276188 -0.4850266 0.1578577 -1.6924258 -0.3329803 -0.5043387 -0.4884717 -2.2497297 43 O -1.4927675 -0.1276188 -0.4850266 -0.1578577 -1.6924258 0.3329803 -0.5043387 0.4884717 -2.2497297 44 O -1.4927675 0.1276188 -0.4850266 0.1578577 -1.6924258 -0.3329803 -0.5043387 -0.4884717 -2.2497297 45 O -2.7945500 0.0711523 -0.0577885 0.0631939 -1.1677260 -0.0426215 -0.0217642 0.0679807 -1.1372881 46 O -2.7945500 -0.0711523 -0.0577885 -0.0631939 -1.1677260 0.0426215 -0.0217642 -0.0679807 -1.1372881 47 O -2.7945500 0.0711523 -0.0577885 0.0631939 -1.1677260 -0.0426215 -0.0217642 0.0679807 -1.1372881 48 O -2.7945500 -0.0711523 -0.0577885 -0.0631939 -1.1677260 0.0426215 -0.0217642 -0.0679807 -1.1372881 49 O -2.6144066 0.0101679 -0.0678352 -0.0045502 -1.0976747 -0.0374161 -0.0441064 0.0303177 -1.7795573 50 O -2.6144066 -0.0101679 -0.0678352 0.0045502 -1.0976747 0.0374161 -0.0441064 -0.0303177 -1.7795573 51 O -2.6144066 0.0101679 -0.0678352 -0.0045502 -1.0976747 -0.0374161 -0.0441064 0.0303177 -1.7795573 52 O -2.6144066 -0.0101679 -0.0678352 0.0045502 -1.0976747 0.0374161 -0.0441064 -0.0303177 -1.7795573 ---------------------------------------------------------------------------- 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 89, 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] [-0.0001 0.0000 0.0100] [ 0.0001 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:55:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:55:33]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.770724401449202 0.000000000000000 0.000000000000000 b 0.000000000000000 9.963609110000000 0.000000000000000 c -0.061382775830782 0.000000000000000 9.392102535695379 Atomic positions (fractional): 1 Ba 0.25044401351414 0.58711513928336 0.39230186108210 137.327 2 Ba 0.74955598648586 0.08711513928336 0.10769813891790 137.327 3 Ba 0.74955598648586 0.41288486071664 0.60769813891790 137.327 4 Ba 0.25044401351414 0.91288486071664 0.89230186108210 137.327 5 Ge 0.93868736800128 0.80431824253787 0.56591105513564 72.640 6 Ge 0.06131263199872 0.30431824253787 0.93408894486436 72.640 7 Ge 0.06131263199872 0.19568175746213 0.43408894486436 72.640 8 Ge 0.93868736800128 0.69568175746213 0.06591105513564 72.640 9 Ge 0.56267467749257 0.08352625548021 0.73519062282426 72.640 10 Ge 0.43732532250743 0.58352625548021 0.76480937717574 72.640 11 Ge 0.43732532250743 0.91647374451979 0.26480937717574 72.640 12 Ge 0.56267467749257 0.41647374451979 0.23519062282426 72.640 13 Ga 0.57054428930888 0.80877841690331 0.56237040639894 69.723 14 Ga 0.42945571069112 0.30877841690331 0.93762959360106 69.723 15 Ga 0.42945571069112 0.19122158309669 0.43762959360106 69.723 16 Ga 0.57054428930888 0.69122158309669 0.06237040639894 69.723 17 Ga 0.93356772471508 0.08009563450892 0.72784891787628 69.723 18 Ga 0.06643227528492 0.58009563450892 0.77215108212372 69.723 19 Ga 0.06643227528492 0.91990436549108 0.27215108212372 69.723 20 Ga 0.93356772471508 0.41990436549108 0.22784891787628 69.723 21 O 0.01073775987743 0.91087096455956 0.70120192316634 15.999 22 O 0.98926224012257 0.41087096455956 0.79879807683366 15.999 23 O 0.98926224012257 0.08912903544044 0.29879807683366 15.999 24 O 0.01073775987743 0.58912903544044 0.20120192316634 15.999 25 O 0.49068685547180 0.92293806388556 0.69797456914429 15.999 26 O 0.50931314452820 0.42293806388556 0.80202543085571 15.999 27 O 0.50931314452820 0.07706193611444 0.30202543085571 15.999 28 O 0.49068685547180 0.57706193611444 0.19797456914429 15.999 29 O 0.93936896324590 0.63597905732534 0.62443217765021 15.999 30 O 0.06063103675410 0.13597905732534 0.87556782234979 15.999 31 O 0.06063103675410 0.36402094267466 0.37556782234979 15.999 32 O 0.93936896324590 0.86402094267466 0.12443217765021 15.999 33 O 0.55908462296599 0.63340389113932 0.62495889455554 15.999 34 O 0.44091537703401 0.13340389113932 0.87504110544446 15.999 35 O 0.44091537703401 0.36659610886068 0.37504110544446 15.999 36 O 0.55908462296599 0.86659610886068 0.12495889455554 15.999 37 O 0.07036025611906 0.80761862284744 0.42520160490981 15.999 38 O 0.92963974388094 0.30761862284744 0.07479839509019 15.999 39 O 0.92963974388094 0.19238137715256 0.57479839509019 15.999 40 O 0.07036025611906 0.69238137715256 0.92520160490981 15.999 41 O 0.43617045761796 0.80738733832720 0.41028185994746 15.999 42 O 0.56382954238204 0.30738733832720 0.08971814005254 15.999 43 O 0.56382954238204 0.19261266167280 0.58971814005254 15.999 44 O 0.43617045761796 0.69261266167280 0.91028185994746 15.999 45 O 0.76045565559967 0.86045483511090 0.50875298884378 15.999 46 O 0.23954434440033 0.36045483511090 0.99124701115622 15.999 47 O 0.23954434440033 0.13954516488910 0.49124701115622 15.999 48 O 0.76045565559967 0.63954516488910 0.00875298884378 15.999 49 O 0.74540308294910 0.08699228913811 0.81483311573969 15.999 50 O 0.25459691705089 0.58699228913811 0.68516688426031 15.999 51 O 0.25459691705089 0.91300771086189 0.18516688426031 15.999 52 O 0.74540308294910 0.41300771086189 0.31483311573969 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.541448802898405 0.000000000000000 0.000000000000000 b 0.000000000000000 9.963609110000000 0.000000000000000 c -0.061382775830782 0.000000000000000 9.392102535695379 Atomic positions (fractional): 1 Ba 0.12522200675707 0.58711513928336 0.39230186108210 137.327 > 1 2 Ba 0.62522200675707 0.58711513928336 0.39230186108210 137.327 > 1 3 Ba 0.37477799324293 0.08711513928336 0.10769813891790 137.327 > 3 4 Ba 0.87477799324293 0.08711513928336 0.10769813891790 137.327 > 3 5 Ba 0.37477799324293 0.41288486071664 0.60769813891790 137.327 > 5 6 Ba 0.87477799324293 0.41288486071664 0.60769813891790 137.327 > 5 7 Ba 0.12522200675707 0.91288486071664 0.89230186108210 137.327 > 7 8 Ba 0.62522200675707 0.91288486071664 0.89230186108210 137.327 > 7 9 Ge 0.46934368400064 0.80431824253787 0.56591105513564 72.640 > 9 10 Ge 0.96934368400064 0.80431824253787 0.56591105513564 72.640 > 9 11 Ge 0.03065631599936 0.30431824253787 0.93408894486436 72.640 > 11 12 Ge 0.53065631599936 0.30431824253787 0.93408894486436 72.640 > 11 13 Ge 0.03065631599936 0.19568175746213 0.43408894486436 72.640 > 13 14 Ge 0.53065631599936 0.19568175746213 0.43408894486436 72.640 > 13 15 Ge 0.46934368400064 0.69568175746213 0.06591105513564 72.640 > 15 16 Ge 0.96934368400064 0.69568175746213 0.06591105513564 72.640 > 15 17 Ge 0.28133733874629 0.08352625548021 0.73519062282426 72.640 > 17 18 Ge 0.78133733874629 0.08352625548021 0.73519062282426 72.640 > 17 19 Ge 0.21866266125371 0.58352625548021 0.76480937717574 72.640 > 19 20 Ge 0.71866266125371 0.58352625548021 0.76480937717574 72.640 > 19 21 Ge 0.21866266125371 0.91647374451979 0.26480937717574 72.640 > 21 22 Ge 0.71866266125371 0.91647374451979 0.26480937717574 72.640 > 21 23 Ge 0.28133733874629 0.41647374451979 0.23519062282426 72.640 > 23 24 Ge 0.78133733874629 0.41647374451979 0.23519062282426 72.640 > 23 25 Ga 0.28527214465444 0.80877841690331 0.56237040639894 69.723 > 25 26 Ga 0.78527214465444 0.80877841690331 0.56237040639894 69.723 > 25 27 Ga 0.21472785534556 0.30877841690331 0.93762959360106 69.723 > 27 28 Ga 0.71472785534556 0.30877841690331 0.93762959360106 69.723 > 27 29 Ga 0.21472785534556 0.19122158309669 0.43762959360106 69.723 > 29 30 Ga 0.71472785534556 0.19122158309669 0.43762959360106 69.723 > 29 31 Ga 0.28527214465444 0.69122158309669 0.06237040639894 69.723 > 31 32 Ga 0.78527214465444 0.69122158309669 0.06237040639894 69.723 > 31 33 Ga 0.46678386235754 0.08009563450892 0.72784891787628 69.723 > 33 34 Ga 0.96678386235754 0.08009563450892 0.72784891787628 69.723 > 33 35 Ga 0.03321613764246 0.58009563450892 0.77215108212372 69.723 > 35 36 Ga 0.53321613764246 0.58009563450892 0.77215108212372 69.723 > 35 37 Ga 0.03321613764246 0.91990436549108 0.27215108212372 69.723 > 37 38 Ga 0.53321613764246 0.91990436549108 0.27215108212372 69.723 > 37 39 Ga 0.46678386235754 0.41990436549108 0.22784891787628 69.723 > 39 40 Ga 0.96678386235754 0.41990436549108 0.22784891787628 69.723 > 39 41 O 0.00536887993871 0.91087096455956 0.70120192316634 15.999 > 41 42 O 0.50536887993871 0.91087096455956 0.70120192316634 15.999 > 41 43 O 0.49463112006129 0.41087096455956 0.79879807683366 15.999 > 43 44 O 0.99463112006129 0.41087096455956 0.79879807683366 15.999 > 43 45 O 0.49463112006129 0.08912903544044 0.29879807683366 15.999 > 45 46 O 0.99463112006129 0.08912903544044 0.29879807683366 15.999 > 45 47 O 0.00536887993871 0.58912903544044 0.20120192316634 15.999 > 47 48 O 0.50536887993871 0.58912903544044 0.20120192316634 15.999 > 47 49 O 0.24534342773590 0.92293806388556 0.69797456914429 15.999 > 49 50 O 0.74534342773590 0.92293806388556 0.69797456914429 15.999 > 49 51 O 0.25465657226410 0.42293806388556 0.80202543085571 15.999 > 51 52 O 0.75465657226410 0.42293806388556 0.80202543085571 15.999 > 51 53 O 0.25465657226410 0.07706193611444 0.30202543085571 15.999 > 53 54 O 0.75465657226410 0.07706193611444 0.30202543085571 15.999 > 53 55 O 0.24534342773590 0.57706193611444 0.19797456914429 15.999 > 55 56 O 0.74534342773590 0.57706193611444 0.19797456914429 15.999 > 55 57 O 0.46968448162295 0.63597905732534 0.62443217765021 15.999 > 57 58 O 0.96968448162295 0.63597905732534 0.62443217765021 15.999 > 57 59 O 0.03031551837705 0.13597905732534 0.87556782234979 15.999 > 59 60 O 0.53031551837705 0.13597905732534 0.87556782234979 15.999 > 59 61 O 0.03031551837705 0.36402094267466 0.37556782234979 15.999 > 61 62 O 0.53031551837705 0.36402094267466 0.37556782234979 15.999 > 61 63 O 0.46968448162295 0.86402094267466 0.12443217765021 15.999 > 63 64 O 0.96968448162295 0.86402094267466 0.12443217765021 15.999 > 63 65 O 0.27954231148300 0.63340389113932 0.62495889455554 15.999 > 65 66 O 0.77954231148300 0.63340389113932 0.62495889455554 15.999 > 65 67 O 0.22045768851700 0.13340389113932 0.87504110544446 15.999 > 67 68 O 0.72045768851700 0.13340389113932 0.87504110544446 15.999 > 67 69 O 0.22045768851700 0.36659610886068 0.37504110544446 15.999 > 69 70 O 0.72045768851700 0.36659610886068 0.37504110544446 15.999 > 69 71 O 0.27954231148300 0.86659610886068 0.12495889455554 15.999 > 71 72 O 0.77954231148300 0.86659610886068 0.12495889455554 15.999 > 71 73 O 0.03518012805953 0.80761862284744 0.42520160490981 15.999 > 73 74 O 0.53518012805953 0.80761862284744 0.42520160490981 15.999 > 73 75 O 0.46481987194047 0.30761862284744 0.07479839509019 15.999 > 75 76 O 0.96481987194047 0.30761862284744 0.07479839509019 15.999 > 75 77 O 0.46481987194047 0.19238137715256 0.57479839509019 15.999 > 77 78 O 0.96481987194047 0.19238137715256 0.57479839509019 15.999 > 77 79 O 0.03518012805953 0.69238137715256 0.92520160490981 15.999 > 79 80 O 0.53518012805953 0.69238137715256 0.92520160490981 15.999 > 79 81 O 0.21808522880898 0.80738733832720 0.41028185994746 15.999 > 81 82 O 0.71808522880898 0.80738733832720 0.41028185994746 15.999 > 81 83 O 0.28191477119102 0.30738733832720 0.08971814005254 15.999 > 83 84 O 0.78191477119102 0.30738733832720 0.08971814005254 15.999 > 83 85 O 0.28191477119102 0.19261266167280 0.58971814005254 15.999 > 85 86 O 0.78191477119102 0.19261266167280 0.58971814005254 15.999 > 85 87 O 0.21808522880898 0.69261266167280 0.91028185994746 15.999 > 87 88 O 0.71808522880898 0.69261266167280 0.91028185994746 15.999 > 87 89 O 0.38022782779984 0.86045483511090 0.50875298884378 15.999 > 89 90 O 0.88022782779984 0.86045483511090 0.50875298884378 15.999 > 89 91 O 0.11977217220016 0.36045483511090 0.99124701115622 15.999 > 91 92 O 0.61977217220016 0.36045483511090 0.99124701115622 15.999 > 91 93 O 0.11977217220016 0.13954516488910 0.49124701115622 15.999 > 93 94 O 0.61977217220016 0.13954516488910 0.49124701115622 15.999 > 93 95 O 0.38022782779984 0.63954516488910 0.00875298884378 15.999 > 95 96 O 0.88022782779984 0.63954516488910 0.00875298884378 15.999 > 95 97 O 0.37270154147455 0.08699228913811 0.81483311573969 15.999 > 97 98 O 0.87270154147455 0.08699228913811 0.81483311573969 15.999 > 97 99 O 0.12729845852545 0.58699228913811 0.68516688426031 15.999 > 99 100 O 0.62729845852545 0.58699228913811 0.68516688426031 15.999 > 99 101 O 0.12729845852545 0.91300771086189 0.18516688426031 15.999 > 101 102 O 0.62729845852545 0.91300771086189 0.18516688426031 15.999 > 101 103 O 0.37270154147455 0.41300771086189 0.31483311573969 15.999 > 103 104 O 0.87270154147455 0.41300771086189 0.31483311573969 15.999 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.0887017 0.0000000 -0.0055745 0.0000000 3.1174952 0.0000000 -0.0055457 0.0000000 3.0258386 -------------------------- Born effective charges -------------------------- 1 Ba 2.8560226 -0.0540058 0.0239528 -0.0340450 2.8443090 0.2495689 -0.0049328 0.2621408 2.5325927 2 Ba 2.8560226 0.0540058 0.0239528 0.0340450 2.8443090 -0.2495689 -0.0049328 -0.2621408 2.5325927 3 Ba 2.8560226 -0.0540058 0.0239528 -0.0340450 2.8443090 0.2495689 -0.0049328 0.2621408 2.5325927 4 Ba 2.8560226 0.0540058 0.0239528 0.0340450 2.8443090 -0.2495689 -0.0049328 -0.2621408 2.5325927 5 Ge 3.1070125 -0.4389596 0.0170991 0.2241078 3.2173787 0.1669898 -0.4488047 -0.2031129 3.0850071 6 Ge 3.1070125 0.4389596 0.0170991 -0.2241078 3.2173787 -0.1669898 -0.4488047 0.2031129 3.0850071 7 Ge 3.1070125 -0.4389596 0.0170991 0.2241078 3.2173787 0.1669898 -0.4488047 -0.2031129 3.0850071 8 Ge 3.1070125 0.4389596 0.0170991 -0.2241078 3.2173787 -0.1669898 -0.4488047 0.2031129 3.0850071 9 Ge 3.0894707 -0.1437161 0.1820176 0.0416487 3.0553342 0.2488799 -0.1529923 -0.0838628 3.0905892 10 Ge 3.0894707 0.1437161 0.1820176 -0.0416487 3.0553342 -0.2488799 -0.1529923 0.0838628 3.0905892 11 Ge 3.0894707 -0.1437161 0.1820176 0.0416487 3.0553342 0.2488799 -0.1529923 -0.0838628 3.0905892 12 Ge 3.0894707 0.1437161 0.1820176 -0.0416487 3.0553342 -0.2488799 -0.1529923 0.0838628 3.0905892 13 Ga 2.8169486 0.4065055 -0.0127352 -0.2364505 2.8222008 0.1384950 0.3594148 -0.1754777 2.7331821 14 Ga 2.8169486 -0.4065055 -0.0127352 0.2364505 2.8222008 -0.1384950 0.3594148 0.1754777 2.7331821 15 Ga 2.8169486 0.4065055 -0.0127352 -0.2364505 2.8222008 0.1384950 0.3594148 -0.1754777 2.7331821 16 Ga 2.8169486 -0.4065055 -0.0127352 0.2364505 2.8222008 -0.1384950 0.3594148 0.1754777 2.7331821 17 Ga 2.6905044 0.1339652 -0.2453000 0.0066305 2.7699702 0.2706136 0.1109972 -0.0241731 2.7282106 18 Ga 2.6905044 -0.1339652 -0.2453000 -0.0066305 2.7699702 -0.2706136 0.1109972 0.0241731 2.7282106 19 Ga 2.6905044 0.1339652 -0.2453000 0.0066305 2.7699702 0.2706136 0.1109972 -0.0241731 2.7282106 20 Ga 2.6905044 -0.1339652 -0.2453000 -0.0066305 2.7699702 -0.2706136 0.1109972 0.0241731 2.7282106 21 O -1.4360089 0.0583594 -0.3442795 0.0150510 -2.2853388 -0.6250695 -0.3792825 -0.4567856 -1.7160694 22 O -1.4360089 -0.0583594 -0.3442795 -0.0150510 -2.2853388 0.6250695 -0.3792825 0.4567856 -1.7160694 23 O -1.4360089 0.0583594 -0.3442795 0.0150510 -2.2853388 -0.6250695 -0.3792825 -0.4567856 -1.7160694 24 O -1.4360089 -0.0583594 -0.3442795 -0.0150510 -2.2853388 0.6250695 -0.3792825 0.4567856 -1.7160694 25 O -1.4368676 -0.1078038 0.2938672 -0.1109194 -2.3329989 -0.5788576 0.3020284 -0.4484727 -1.6057247 26 O -1.4368676 0.1078038 0.2938672 0.1109194 -2.3329989 0.5788576 0.3020284 0.4484727 -1.6057247 27 O -1.4368676 -0.1078038 0.2938672 -0.1109194 -2.3329989 -0.5788576 0.3020284 -0.4484727 -1.6057247 28 O -1.4368676 0.1078038 0.2938672 0.1109194 -2.3329989 0.5788576 0.3020284 0.4484727 -1.6057247 29 O -1.5528575 0.1488656 -0.3257305 0.0273746 -2.3469391 0.5232996 -0.2876134 0.5613110 -1.6791824 30 O -1.5528575 -0.1488656 -0.3257305 -0.0273746 -2.3469391 -0.5232996 -0.2876134 -0.5613110 -1.6791824 31 O -1.5528575 0.1488656 -0.3257305 0.0273746 -2.3469391 0.5232996 -0.2876134 0.5613110 -1.6791824 32 O -1.5528575 -0.1488656 -0.3257305 -0.0273746 -2.3469391 -0.5232996 -0.2876134 -0.5613110 -1.6791824 33 O -1.6524649 -0.1827087 0.4244423 -0.0861212 -2.1565848 0.5038091 0.4124867 0.4897969 -1.7528397 34 O -1.6524649 0.1827087 0.4244423 0.0861212 -2.1565848 -0.5038091 0.4124867 -0.4897969 -1.7528397 35 O -1.6524649 -0.1827087 0.4244423 -0.0861212 -2.1565848 0.5038091 0.4124867 0.4897969 -1.7528397 36 O -1.6524649 0.1827087 0.4244423 0.0861212 -2.1565848 -0.5038091 0.4124867 -0.4897969 -1.7528397 37 O -1.5800360 0.1458578 0.5973164 0.1397793 -1.6295049 0.2542559 0.6589079 0.3776282 -2.2491904 38 O -1.5800360 -0.1458578 0.5973164 -0.1397793 -1.6295049 -0.2542559 0.6589079 -0.3776282 -2.2491904 39 O -1.5800360 0.1458578 0.5973164 0.1397793 -1.6295049 0.2542559 0.6589079 0.3776282 -2.2491904 40 O -1.5800360 -0.1458578 0.5973164 -0.1397793 -1.6295049 -0.2542559 0.6589079 -0.3776282 -2.2491904 41 O -1.4927675 -0.1276188 -0.4850266 -0.1578577 -1.6924258 0.3329803 -0.5043387 0.4884717 -2.2497297 42 O -1.4927675 0.1276188 -0.4850266 0.1578577 -1.6924258 -0.3329803 -0.5043387 -0.4884717 -2.2497297 43 O -1.4927675 -0.1276188 -0.4850266 -0.1578577 -1.6924258 0.3329803 -0.5043387 0.4884717 -2.2497297 44 O -1.4927675 0.1276188 -0.4850266 0.1578577 -1.6924258 -0.3329803 -0.5043387 -0.4884717 -2.2497297 45 O -2.7945500 0.0711523 -0.0577885 0.0631939 -1.1677260 -0.0426215 -0.0217642 0.0679807 -1.1372881 46 O -2.7945500 -0.0711523 -0.0577885 -0.0631939 -1.1677260 0.0426215 -0.0217642 -0.0679807 -1.1372881 47 O -2.7945500 0.0711523 -0.0577885 0.0631939 -1.1677260 -0.0426215 -0.0217642 0.0679807 -1.1372881 48 O -2.7945500 -0.0711523 -0.0577885 -0.0631939 -1.1677260 0.0426215 -0.0217642 -0.0679807 -1.1372881 49 O -2.6144066 0.0101679 -0.0678352 -0.0045502 -1.0976747 -0.0374161 -0.0441064 0.0303177 -1.7795573 50 O -2.6144066 -0.0101679 -0.0678352 0.0045502 -1.0976747 0.0374161 -0.0441064 -0.0303177 -1.7795573 51 O -2.6144066 0.0101679 -0.0678352 -0.0045502 -1.0976747 -0.0374161 -0.0441064 0.0303177 -1.7795573 52 O -2.6144066 -0.0101679 -0.0678352 0.0045502 -1.0976747 0.0374161 -0.0441064 -0.0303177 -1.7795573 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) 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 5 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.44, Number of G-points: 299, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/48) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.462 ( 0.000 0.000 0.000) 0.000 1.646 ( 0.000 0.000 0.000) 0.000 1.735 ( 0.000 0.000 0.000) 0.000 1.737 ( 0.000 0.000 0.000) 0.000 1.828 ( 0.000 0.000 0.000) 0.000 1.997 ( 0.000 0.000 0.000) 0.000 2.014 ( 0.000 0.000 0.000) 0.000 2.203 ( 0.000 0.000 0.000) 0.000 2.279 ( 0.000 0.000 0.000) 0.000 2.451 ( 0.000 0.000 0.000) 0.000 2.537 ( 0.000 0.000 0.000) 0.000 2.556 ( 0.000 0.000 0.000) 0.000 2.644 ( 0.000 0.000 0.000) 0.000 2.690 ( 0.000 0.000 0.000) 0.000 2.852 ( 0.000 0.000 0.000) 0.000 2.861 ( 0.000 0.000 0.000) 0.000 2.883 ( 0.000 0.000 0.000) 0.000 2.914 ( 0.000 0.000 0.000) 0.000 2.980 ( 0.000 0.000 0.000) 0.000 3.039 ( 0.000 0.000 0.000) 0.000 3.049 ( 0.000 0.000 0.000) 0.000 3.164 ( 0.000 0.000 0.000) 0.000 3.185 ( 0.000 0.000 0.000) 0.000 3.220 ( 0.000 0.000 0.000) 0.000 3.257 ( 0.000 0.000 0.000) 0.000 3.358 ( 0.000 0.000 0.000) 0.000 3.435 ( 0.000 0.000 0.000) 0.000 3.514 ( 0.000 0.000 0.000) 0.000 3.636 ( 0.000 0.000 0.000) 0.000 3.796 ( 0.000 0.000 0.000) 0.000 3.891 ( 0.000 0.000 0.000) 0.000 3.938 ( 0.000 0.000 0.000) 0.000 4.039 ( 0.000 0.000 0.000) 0.000 4.077 ( 0.000 0.000 0.000) 0.000 4.155 ( 0.000 0.000 0.000) 0.000 4.441 ( 0.000 0.000 0.000) 0.000 4.505 ( 0.000 0.000 0.000) 0.000 4.595 ( 0.000 0.000 0.000) 0.000 4.847 ( 0.000 0.000 0.000) 0.000 4.859 ( 0.000 0.000 0.000) 0.000 4.862 ( 0.000 0.000 0.000) 0.000 4.918 ( 0.000 0.000 0.000) 0.000 4.953 ( 0.000 0.000 0.000) 0.000 5.017 ( 0.000 0.000 0.000) 0.000 5.199 ( 0.000 0.000 0.000) 0.000 5.209 ( 0.000 0.000 0.000) 0.000 5.282 ( 0.000 0.000 0.000) 0.000 5.398 ( 0.000 0.000 0.000) 0.000 5.428 ( 0.000 0.000 0.000) 0.000 5.672 ( 0.000 0.000 0.000) 0.000 5.802 ( 0.000 0.000 0.000) 0.000 5.860 ( 0.000 0.000 0.000) 0.000 5.905 ( 0.000 0.000 0.000) 0.000 6.052 ( 0.000 0.000 0.000) 0.000 6.102 ( 0.000 0.000 0.000) 0.000 6.342 ( 0.000 0.000 0.000) 0.000 6.354 ( 0.000 0.000 0.000) 0.000 6.430 ( 0.000 0.000 0.000) 0.000 6.833 ( 0.000 0.000 0.000) 0.000 6.858 ( 0.000 0.000 0.000) 0.000 6.939 ( 0.000 0.000 0.000) 0.000 7.085 ( 0.000 0.000 0.000) 0.000 7.168 ( 0.000 0.000 0.000) 0.000 7.186 ( 0.000 0.000 0.000) 0.000 7.275 ( 0.000 0.000 0.000) 0.000 7.321 ( 0.000 0.000 0.000) 0.000 7.360 ( 0.000 0.000 0.000) 0.000 7.551 ( 0.000 0.000 0.000) 0.000 7.622 ( 0.000 0.000 0.000) 0.000 7.762 ( 0.000 0.000 0.000) 0.000 7.805 ( 0.000 0.000 0.000) 0.000 7.851 ( 0.000 0.000 0.000) 0.000 7.857 ( 0.000 0.000 0.000) 0.000 8.279 ( 0.000 0.000 0.000) 0.000 8.313 ( 0.000 0.000 0.000) 0.000 8.393 ( 0.000 0.000 0.000) 0.000 8.484 ( 0.000 0.000 0.000) 0.000 8.517 ( 0.000 0.000 0.000) 0.000 8.622 ( 0.000 0.000 0.000) 0.000 8.745 ( 0.000 0.000 0.000) 0.000 9.023 ( 0.000 0.000 0.000) 0.000 9.074 ( 0.000 0.000 0.000) 0.000 9.161 ( 0.000 0.000 0.000) 0.000 9.306 ( 0.000 0.000 0.000) 0.000 9.570 ( 0.000 0.000 0.000) 0.000 9.572 ( 0.000 0.000 0.000) 0.000 9.730 ( 0.000 0.000 0.000) 0.000 9.850 ( 0.000 0.000 0.000) 0.000 10.070 ( 0.000 0.000 0.000) 0.000 12.808 ( 0.000 0.000 0.000) 0.000 13.104 ( 0.000 0.000 0.000) 0.000 13.163 ( 0.000 0.000 0.000) 0.000 13.293 ( 0.000 0.000 0.000) 0.000 13.710 ( 0.000 0.000 0.000) 0.000 13.736 ( 0.000 0.000 0.000) 0.000 13.903 ( 0.000 0.000 0.000) 0.000 13.997 ( 0.000 0.000 0.000) 0.000 14.151 ( 0.000 0.000 0.000) 0.000 14.195 ( 0.000 0.000 0.000) 0.000 14.245 ( 0.000 0.000 0.000) 0.000 14.336 ( 0.000 0.000 0.000) 0.000 14.368 ( 0.000 0.000 0.000) 0.000 14.368 ( 0.000 0.000 0.000) 0.000 14.435 ( 0.000 0.000 0.000) 0.000 14.581 ( 0.000 0.000 0.000) 0.000 14.787 ( 0.000 0.000 0.000) 0.000 14.881 ( 0.000 0.000 0.000) 0.000 15.018 ( 0.000 0.000 0.000) 0.000 15.020 ( 0.000 0.000 0.000) 0.000 15.103 ( 0.000 0.000 0.000) 0.000 15.328 ( 0.000 0.000 0.000) 0.000 15.423 ( 0.000 0.000 0.000) 0.000 15.747 ( 0.000 0.000 0.000) 0.000 15.769 ( 0.000 0.000 0.000) 0.000 15.810 ( 0.000 0.000 0.000) 0.000 15.910 ( 0.000 0.000 0.000) 0.000 16.069 ( 0.000 0.000 0.000) 0.000 16.109 ( 0.000 0.000 0.000) 0.000 16.216 ( 0.000 0.000 0.000) 0.000 17.329 ( 0.000 0.000 0.000) 0.000 17.486 ( 0.000 0.000 0.000) 0.000 21.041 ( 0.000 0.000 0.000) 0.000 21.066 ( 0.000 0.000 0.000) 0.000 21.351 ( 0.000 0.000 0.000) 0.000 21.488 ( 0.000 0.000 0.000) 0.000 21.499 ( 0.000 0.000 0.000) 0.000 21.589 ( 0.000 0.000 0.000) 0.000 21.986 ( 0.000 0.000 0.000) 0.000 22.015 ( 0.000 0.000 0.000) 0.000 22.251 ( 0.000 0.000 0.000) 0.000 22.301 ( 0.000 0.000 0.000) 0.000 22.424 ( 0.000 0.000 0.000) 0.000 22.571 ( 0.000 0.000 0.000) 0.000 22.731 ( 0.000 0.000 0.000) 0.000 22.832 ( 0.000 0.000 0.000) 0.000 23.144 ( 0.000 0.000 0.000) 0.000 23.196 ( 0.000 0.000 0.000) 0.000 23.479 ( 0.000 0.000 0.000) 0.000 23.912 ( 0.000 0.000 0.000) 0.000 24.178 ( 0.000 0.000 0.000) 0.000 24.216 ( 0.000 0.000 0.000) 0.000 24.439 ( 0.000 0.000 0.000) 0.000 24.543 ( 0.000 0.000 0.000) 0.000 24.549 ( 0.000 0.000 0.000) 0.000 24.612 ( 0.000 0.000 0.000) 0.000 24.650 ( 0.000 0.000 0.000) 0.000 24.723 ( 0.000 0.000 0.000) 0.000 24.846 ( 0.000 0.000 0.000) 0.000 25.002 ( 0.000 0.000 0.000) 0.000 25.371 ( 0.000 0.000 0.000) 0.000 25.382 ( 0.000 0.000 0.000) 0.000 25.408 ( 0.000 0.000 0.000) 0.000 25.441 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/48) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.409 ( 21.452 0.000 5.908) 22.251 0.508 ( 26.671 0.000 -3.463) 26.895 0.915 ( 46.293 0.000 -0.768) 46.299 1.487 ( -4.563 0.000 -0.832) 4.638 1.648 ( 0.792 0.000 1.860) 2.022 1.742 ( 1.171 0.000 -0.992) 1.535 1.866 ( 11.978 0.000 0.818) 12.006 1.893 ( 6.417 0.000 -0.170) 6.419 2.016 ( 1.878 0.000 -0.576) 1.964 2.028 ( 0.295 0.000 3.351) 3.364 2.179 ( -3.235 0.000 0.702) 3.311 2.281 ( -3.414 0.000 0.125) 3.416 2.358 ( -2.685 0.000 -0.512) 2.734 2.431 ( -16.565 0.000 -0.986) 16.595 2.528 ( -3.350 0.000 -0.210) 3.357 2.551 ( -4.113 0.000 -0.220) 4.119 2.691 ( -6.354 0.000 2.933) 6.999 2.743 ( 3.510 0.000 -1.547) 3.836 2.776 ( -7.398 0.000 -1.537) 7.556 2.847 ( -2.146 0.000 -0.815) 2.295 2.922 ( -3.194 0.000 -1.736) 3.636 3.036 ( 1.379 0.000 -1.038) 1.726 3.039 ( -4.507 0.000 10.325) 11.266 3.090 ( -2.318 0.000 -11.105) 11.344 3.182 ( 0.755 0.000 1.328) 1.527 3.241 ( 0.514 0.000 -2.824) 2.870 3.330 ( 1.050 0.000 7.710) 7.781 3.335 ( 6.914 0.000 10.716) 12.753 3.379 ( 0.438 0.000 -2.322) 2.363 3.412 ( 0.664 0.000 -11.870) 11.888 3.467 ( -4.923 0.000 -0.021) 4.923 3.664 ( -1.069 0.000 -2.691) 2.896 3.839 ( -1.686 0.000 4.232) 4.556 3.922 ( 5.974 0.000 0.417) 5.989 3.943 ( 4.229 0.000 1.618) 4.528 4.020 ( 0.348 0.000 2.330) 2.356 4.096 ( 0.629 0.000 -5.547) 5.583 4.181 ( 2.604 0.000 2.386) 3.531 4.338 ( -18.455 0.000 -2.423) 18.613 4.465 ( -3.315 0.000 1.663) 3.708 4.492 ( -1.509 0.000 -0.448) 1.574 4.782 ( -5.223 0.000 2.210) 5.671 4.852 ( -1.915 0.000 -0.620) 2.013 4.929 ( 6.028 0.000 -3.151) 6.802 4.955 ( 3.293 0.000 -0.594) 3.347 5.016 ( 2.550 0.000 -5.536) 6.095 5.085 ( 5.374 0.000 -2.385) 5.880 5.189 ( -2.794 0.000 4.690) 5.460 5.235 ( 3.379 0.000 5.610) 6.549 5.320 ( -6.258 0.000 -2.683) 6.809 5.340 ( 6.204 0.000 1.854) 6.475 5.424 ( 0.550 0.000 5.870) 5.896 5.700 ( -7.205 0.000 -0.382) 7.215 5.724 ( 4.415 0.000 -3.614) 5.705 5.916 ( 1.892 0.000 1.967) 2.729 5.950 ( 3.298 0.000 -3.876) 5.089 6.087 ( 3.152 0.000 -0.200) 3.158 6.242 ( 13.077 0.000 0.538) 13.088 6.301 ( -3.485 0.000 0.482) 3.518 6.389 ( 3.000 0.000 -1.016) 3.167 6.450 ( 1.935 0.000 -3.855) 4.314 6.812 ( -2.430 0.000 2.501) 3.488 6.816 ( -4.399 0.000 1.060) 4.525 6.954 ( -2.886 0.000 -3.157) 4.277 7.072 ( -1.547 0.000 -2.303) 2.774 7.128 ( -2.658 0.000 1.008) 2.843 7.133 ( -3.447 0.000 0.537) 3.489 7.252 ( -2.106 0.000 -2.325) 3.137 7.401 ( 1.348 0.000 -0.256) 1.372 7.554 ( -0.052 0.000 4.831) 4.831 7.565 ( -3.045 0.000 13.208) 13.554 7.735 ( -2.389 0.000 5.163) 5.689 7.782 ( 6.626 0.000 3.003) 7.275 7.806 ( 0.191 0.000 -5.172) 5.175 7.911 ( 5.691 0.000 1.776) 5.962 7.987 ( 3.110 0.000 -7.069) 7.723 8.291 ( 1.482 0.000 0.631) 1.611 8.319 ( -3.779 0.000 7.743) 8.616 8.445 ( -1.822 0.000 -0.538) 1.900 8.490 ( -1.440 0.000 2.648) 3.014 8.607 ( -1.457 0.000 0.390) 1.508 8.662 ( 8.510 0.000 -8.998) 12.385 8.967 ( -9.044 0.000 -3.621) 9.742 9.043 ( 2.172 0.000 2.455) 3.278 9.047 ( -5.804 0.000 -9.409) 11.055 9.282 ( 5.077 0.000 -9.381) 10.666 9.308 ( 1.404 0.000 1.960) 2.411 9.519 ( -2.709 0.000 6.390) 6.940 9.687 ( 7.580 0.000 -2.940) 8.131 9.713 ( -1.730 0.000 -0.570) 1.821 9.821 ( -3.488 0.000 4.620) 5.789 10.050 ( -1.989 0.000 -0.010) 1.989 12.825 ( 1.819 0.000 -0.913) 2.036 13.097 ( -0.554 0.000 -0.144) 0.573 13.136 ( -2.705 0.000 -0.784) 2.816 13.256 ( -3.451 0.000 0.723) 3.526 13.711 ( 0.033 0.000 -0.248) 0.251 13.714 ( -1.834 0.000 0.499) 1.900 13.882 ( -2.585 0.000 -1.272) 2.881 14.021 ( 0.019 0.000 3.896) 3.896 14.113 ( -0.360 0.000 0.004) 0.360 14.207 ( -3.575 0.000 -0.554) 3.618 14.286 ( 5.146 0.000 -1.214) 5.287 14.341 ( -0.896 0.000 -0.906) 1.274 14.391 ( 2.811 0.000 0.210) 2.819 14.415 ( 2.257 0.000 -1.611) 2.773 14.475 ( 3.696 0.000 -1.159) 3.874 14.628 ( 4.217 0.000 0.724) 4.279 14.831 ( -2.667 0.000 3.631) 4.506 14.900 ( 3.806 0.000 -0.025) 3.806 15.030 ( 1.435 0.000 -3.133) 3.446 15.109 ( 6.876 0.000 -2.674) 7.377 15.170 ( 1.194 0.000 0.140) 1.202 15.336 ( 0.889 0.000 -0.239) 0.921 15.379 ( -4.856 0.000 0.820) 4.925 15.685 ( -7.618 0.000 3.695) 8.466 15.737 ( -0.922 0.000 -1.907) 2.118 15.937 ( 0.268 0.000 -5.198) 5.205 16.059 ( -5.070 0.000 1.235) 5.218 16.186 ( 1.542 0.000 2.644) 3.061 16.234 ( 9.986 0.000 -2.061) 10.196 17.032 ( 3.501 0.000 13.104) 13.564 17.268 ( -6.286 0.000 0.966) 6.360 17.454 ( -3.252 0.000 -1.490) 3.577 21.048 ( 0.681 0.000 0.118) 0.691 21.070 ( 0.370 0.000 -0.050) 0.374 21.379 ( 2.657 0.000 -0.158) 2.662 21.486 ( -1.096 0.000 0.412) 1.171 21.495 ( 0.978 0.000 0.196) 0.998 21.630 ( 2.147 0.000 2.870) 3.584 21.960 ( -5.335 0.000 -0.061) 5.336 22.018 ( -2.098 0.000 -13.378) 13.541 22.270 ( 1.565 0.000 0.018) 1.565 22.424 ( 0.043 0.000 0.013) 0.045 22.554 ( -1.668 0.000 -0.051) 1.669 22.592 ( -3.106 0.000 -5.035) 5.916 22.745 ( 0.670 0.000 1.391) 1.544 22.862 ( 2.706 0.000 -0.056) 2.707 23.203 ( 0.826 0.000 0.055) 0.827 23.428 ( -4.444 0.000 -0.436) 4.465 23.967 ( 4.758 0.000 1.724) 5.061 24.185 ( 1.695 0.000 13.617) 13.722 24.215 ( 0.096 0.000 -1.026) 1.030 24.250 ( 2.842 0.000 -21.186) 21.375 24.443 ( 0.377 0.000 -0.394) 0.546 24.508 ( -2.850 0.000 -0.144) 2.854 24.574 ( 0.117 0.000 -1.736) 1.739 24.621 ( 0.374 0.000 -0.806) 0.888 24.648 ( -0.193 0.000 1.361) 1.374 24.750 ( -2.994 0.000 10.686) 11.097 24.823 ( -1.710 0.000 0.018) 1.710 24.980 ( -2.279 0.000 1.184) 2.568 25.382 ( 1.306 0.000 0.591) 1.434 25.432 ( 1.924 0.000 -1.306) 2.325 25.498 ( 5.400 0.000 -0.406) 5.416 25.927 ( -2.364 0.000 2.148) 3.194 ======================= Grid point 2 (3/48) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( 19.679 0.000 5.435) 20.416 1.010 ( 26.146 0.000 -3.028) 26.321 1.354 ( -7.920 0.000 -2.659) 8.354 1.676 ( 25.776 0.000 -1.204) 25.804 1.702 ( 5.017 0.000 4.252) 6.577 1.781 ( 2.598 0.000 -3.161) 4.092 1.941 ( -19.868 0.000 6.754) 20.984 2.013 ( -3.021 0.000 -2.447) 3.887 2.015 ( 0.618 0.000 -0.232) 0.660 2.062 ( 2.785 0.000 -0.002) 2.785 2.148 ( 20.348 0.000 1.136) 20.380 2.217 ( 4.679 0.000 -2.491) 5.300 2.233 ( -5.741 0.000 1.634) 5.969 2.352 ( -9.597 0.000 -0.084) 9.598 2.390 ( 2.189 0.000 6.125) 6.505 2.447 ( -1.816 0.000 -3.656) 4.082 2.565 ( -11.217 0.000 -2.287) 11.448 2.738 ( -2.655 0.000 -1.885) 3.256 2.744 ( 6.435 0.000 -2.573) 6.930 2.846 ( 1.992 0.000 1.772) 2.666 2.866 ( -2.876 0.000 1.469) 3.229 2.992 ( -3.962 0.000 -2.561) 4.718 3.041 ( 5.593 0.000 0.834) 5.655 3.105 ( 1.922 0.000 -3.787) 4.247 3.166 ( -7.090 0.000 6.008) 9.293 3.253 ( -9.672 0.000 -3.900) 10.428 3.258 ( 1.043 0.000 -6.039) 6.128 3.281 ( -0.930 0.000 3.075) 3.212 3.316 ( -6.078 0.000 7.066) 9.321 3.396 ( -4.905 0.000 0.641) 4.947 3.523 ( -8.898 0.000 -3.996) 9.754 3.624 ( 13.083 0.000 -1.629) 13.184 3.677 ( -22.213 0.000 4.358) 22.637 3.979 ( -1.826 0.000 1.413) 2.308 3.996 ( 7.448 0.000 -0.328) 7.455 4.073 ( 3.605 0.000 -0.240) 3.613 4.109 ( 1.753 0.000 -4.365) 4.704 4.244 ( 3.463 0.000 2.711) 4.398 4.264 ( 12.009 0.000 0.608) 12.024 4.381 ( -5.688 0.000 0.495) 5.709 4.450 ( -2.523 0.000 -0.844) 2.660 4.685 ( -3.740 0.000 2.058) 4.269 4.780 ( -5.255 0.000 -0.033) 5.255 4.902 ( -13.104 0.000 -1.748) 13.220 5.038 ( 3.898 0.000 -0.408) 3.919 5.046 ( 5.463 0.000 -3.965) 6.750 5.136 ( 0.462 0.000 -3.685) 3.713 5.143 ( 0.578 0.000 0.839) 1.019 5.305 ( 0.798 0.000 3.024) 3.127 5.360 ( 8.101 0.000 2.312) 8.425 5.424 ( -0.307 0.000 2.959) 2.975 5.493 ( 7.977 0.000 4.085) 8.962 5.580 ( -4.696 0.000 1.295) 4.871 5.790 ( 3.207 0.000 -5.019) 5.956 5.973 ( 0.149 0.000 -2.580) 2.584 5.986 ( 2.811 0.000 2.265) 3.610 6.131 ( 1.004 0.000 -1.627) 1.912 6.240 ( -0.924 0.000 -0.249) 0.957 6.455 ( 3.668 0.000 0.374) 3.687 6.487 ( 1.298 0.000 -7.557) 7.668 6.509 ( 12.750 0.000 1.192) 12.805 6.719 ( -4.655 0.000 -0.143) 4.658 6.730 ( -6.161 0.000 5.659) 8.365 6.905 ( -1.937 0.000 -0.064) 1.938 7.025 ( -3.040 0.000 -2.255) 3.785 7.057 ( -3.664 0.000 1.883) 4.119 7.129 ( 2.648 0.000 -4.124) 4.901 7.214 ( -1.396 0.000 -4.643) 4.848 7.353 ( -5.988 0.000 5.461) 8.105 7.540 ( -1.280 0.000 4.825) 4.992 7.545 ( 0.453 0.000 3.303) 3.334 7.690 ( -2.036 0.000 3.652) 4.181 7.823 ( 1.646 0.000 -2.267) 2.801 7.885 ( 4.507 0.000 -0.721) 4.564 8.000 ( 0.761 0.000 -0.366) 0.845 8.077 ( 6.776 0.000 -2.956) 7.393 8.294 ( 0.633 0.000 3.956) 4.007 8.344 ( 3.816 0.000 0.204) 3.822 8.403 ( -2.404 0.000 0.066) 2.405 8.450 ( -2.675 0.000 3.796) 4.644 8.577 ( -1.475 0.000 0.684) 1.626 8.752 ( -2.394 0.000 -5.908) 6.375 8.829 ( -1.148 0.000 -2.502) 2.753 8.945 ( -4.480 0.000 -4.596) 6.419 9.109 ( 4.385 0.000 0.686) 4.439 9.295 ( -0.194 0.000 -0.176) 0.262 9.421 ( 6.965 0.000 -2.489) 7.396 9.456 ( -3.798 0.000 4.169) 5.640 9.663 ( -3.852 0.000 -0.831) 3.940 9.744 ( -3.793 0.000 2.746) 4.682 9.823 ( 6.198 0.000 -0.848) 6.255 10.003 ( -2.759 0.000 0.053) 2.759 12.878 ( 3.780 0.000 -0.205) 3.785 13.065 ( -4.577 0.000 -0.833) 4.652 13.091 ( 0.050 0.000 -0.356) 0.360 13.183 ( -3.753 0.000 0.879) 3.854 13.683 ( -1.191 0.000 0.340) 1.239 13.711 ( 0.007 0.000 0.207) 0.207 13.818 ( -3.281 0.000 -0.792) 3.375 14.026 ( 0.413 0.000 2.112) 2.152 14.132 ( 1.541 0.000 -0.267) 1.564 14.138 ( -3.051 0.000 -0.390) 3.076 14.331 ( -0.302 0.000 -0.173) 0.348 14.346 ( 1.562 0.000 -0.581) 1.666 14.446 ( 0.912 0.000 0.031) 0.913 14.472 ( 4.488 0.000 -0.801) 4.558 14.542 ( 2.443 0.000 -1.060) 2.663 14.716 ( 4.399 0.000 1.226) 4.567 14.833 ( 3.368 0.000 2.281) 4.068 14.945 ( 0.106 0.000 -2.093) 2.095 15.090 ( 4.397 0.000 -3.833) 5.833 15.206 ( 2.441 0.000 4.565) 5.177 15.231 ( 1.600 0.000 0.851) 1.813 15.249 ( -4.232 0.000 -0.354) 4.246 15.362 ( 1.633 0.000 -0.520) 1.713 15.569 ( -4.703 0.000 0.864) 4.781 15.724 ( 0.233 0.000 -3.759) 3.766 15.930 ( -7.912 0.000 2.602) 8.329 15.937 ( 0.154 0.000 -2.452) 2.457 16.155 ( -2.120 0.000 1.066) 2.373 16.503 ( 15.020 0.000 -1.747) 15.121 17.100 ( -10.851 0.000 1.604) 10.969 17.125 ( 5.921 0.000 6.285) 8.635 17.368 ( -5.640 0.000 -2.480) 6.161 21.062 ( 0.691 0.000 0.126) 0.703 21.078 ( 0.380 0.000 -0.051) 0.384 21.428 ( 1.751 0.000 -0.164) 1.759 21.466 ( -0.836 0.000 0.253) 0.873 21.544 ( 4.639 0.000 0.210) 4.644 21.676 ( 2.370 0.000 1.157) 2.637 21.832 ( -7.665 0.000 -0.064) 7.665 21.968 ( -2.622 0.000 -4.826) 5.492 22.299 ( 1.290 0.000 0.046) 1.291 22.425 ( 0.043 0.000 0.030) 0.053 22.518 ( -1.819 0.000 -0.122) 1.823 22.541 ( -1.951 0.000 -1.907) 2.728 22.751 ( 0.068 0.000 0.688) 0.691 22.911 ( 1.973 0.000 0.402) 2.013 23.227 ( 1.746 0.000 -0.025) 1.746 23.341 ( -4.311 0.000 -0.103) 4.312 24.053 ( 3.543 0.000 1.766) 3.959 24.227 ( 1.102 0.000 -1.261) 1.675 24.234 ( 3.097 0.000 6.077) 6.820 24.325 ( 5.191 0.000 -11.398) 12.525 24.443 ( -3.737 0.000 -0.950) 3.855 24.456 ( 1.167 0.000 -0.549) 1.290 24.540 ( -4.054 0.000 3.593) 5.417 24.596 ( -3.096 0.000 -0.650) 3.164 24.646 ( 0.141 0.000 0.968) 0.979 24.705 ( -1.319 0.000 2.308) 2.659 24.817 ( 1.415 0.000 -0.230) 1.433 24.925 ( -3.205 0.000 1.272) 3.448 25.414 ( 1.628 0.000 0.836) 1.830 25.464 ( 1.227 0.000 -1.424) 1.879 25.621 ( 7.048 0.000 -0.915) 7.107 25.862 ( -4.540 0.000 1.633) 4.825 ======================= Grid point 3 (4/48) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( 0.000 0.000 0.000) 0.000 1.144 ( -0.000 0.000 -0.000) 0.000 1.478 ( -0.000 0.000 0.000) 0.000 1.515 ( 0.000 0.000 -0.000) 0.000 1.774 ( 0.000 0.000 0.000) 0.000 1.828 ( 0.000 0.000 -0.000) 0.000 1.914 ( -0.000 0.000 0.000) 0.000 1.924 ( 0.000 0.000 -0.000) 0.000 2.037 ( 0.000 0.000 0.000) 0.000 2.046 ( -0.000 0.000 -0.000) 0.000 2.155 ( 0.000 0.000 0.000) 0.000 2.191 ( 0.000 0.000 -0.000) 0.000 2.372 ( -0.000 0.000 -0.000) 0.000 2.376 ( 0.000 0.000 0.000) 0.000 2.421 ( 0.000 0.000 0.000) 0.000 2.431 ( -0.000 0.000 -0.000) 0.000 2.719 ( -0.000 0.000 -0.000) 0.000 2.735 ( 0.000 0.000 0.000) 0.000 2.840 ( 0.000 0.000 -0.000) 0.000 2.848 ( 0.000 0.000 -0.000) 0.000 2.890 ( -0.000 0.000 -0.000) 0.000 2.897 ( 0.000 0.000 0.000) 0.000 2.977 ( 0.000 0.000 -0.000) 0.000 2.981 ( -0.000 0.000 0.000) 0.000 3.122 ( 0.000 0.000 0.000) 0.000 3.198 ( 0.000 0.000 -0.000) 0.000 3.224 ( -0.000 0.000 -0.000) 0.000 3.240 ( 0.000 0.000 0.000) 0.000 3.278 ( 0.000 0.000 -0.000) 0.000 3.288 ( 0.000 0.000 0.000) 0.000 3.340 ( 0.000 0.000 0.000) 0.000 3.541 ( 0.000 0.000 -0.000) 0.000 3.806 ( 0.000 0.000 -0.000) 0.000 3.902 ( 0.000 0.000 0.000) 0.000 4.112 ( 0.000 0.000 0.000) 0.000 4.114 ( 0.000 0.000 -0.000) 0.000 4.138 ( 0.000 0.000 -0.000) 0.000 4.284 ( 0.000 0.000 -0.000) 0.000 4.284 ( 0.000 0.000 0.000) 0.000 4.418 ( 0.000 0.000 -0.000) 0.000 4.488 ( 0.000 0.000 0.000) 0.000 4.675 ( 0.000 0.000 0.000) 0.000 4.678 ( 0.000 0.000 -0.000) 0.000 4.693 ( -0.000 0.000 -0.000) 0.000 5.083 ( 0.000 0.000 0.000) 0.000 5.121 ( 0.000 0.000 -0.000) 0.000 5.125 ( -0.000 0.000 0.000) 0.000 5.151 ( 0.000 0.000 0.000) 0.000 5.301 ( 0.000 0.000 -0.000) 0.000 5.426 ( 0.000 0.000 0.000) 0.000 5.456 ( 0.000 0.000 0.000) 0.000 5.534 ( 0.000 0.000 0.000) 0.000 5.566 ( 0.000 0.000 -0.000) 0.000 5.873 ( 0.000 0.000 -0.000) 0.000 5.950 ( -0.000 0.000 -0.000) 0.000 5.973 ( 0.000 0.000 -0.000) 0.000 6.137 ( 0.000 0.000 -0.000) 0.000 6.277 ( 0.000 0.000 -0.000) 0.000 6.485 ( 0.000 0.000 0.000) 0.000 6.507 ( 0.000 0.000 -0.000) 0.000 6.642 ( 0.000 0.000 0.000) 0.000 6.648 ( 0.000 0.000 0.000) 0.000 6.671 ( 0.000 0.000 0.000) 0.000 6.882 ( 0.000 0.000 0.000) 0.000 6.986 ( 0.000 0.000 0.000) 0.000 7.021 ( 0.000 0.000 0.000) 0.000 7.201 ( 0.000 0.000 -0.000) 0.000 7.210 ( 0.000 0.000 -0.000) 0.000 7.234 ( -0.000 0.000 0.000) 0.000 7.525 ( 0.000 0.000 0.000) 0.000 7.553 ( 0.000 0.000 -0.000) 0.000 7.669 ( 0.000 0.000 0.000) 0.000 7.845 ( 0.000 0.000 -0.000) 0.000 7.950 ( 0.000 0.000 -0.000) 0.000 7.978 ( 0.000 0.000 0.000) 0.000 8.158 ( 0.000 0.000 0.000) 0.000 8.311 ( 0.000 0.000 -0.000) 0.000 8.372 ( 0.000 0.000 0.000) 0.000 8.400 ( 0.000 0.000 -0.000) 0.000 8.406 ( -0.000 0.000 0.000) 0.000 8.560 ( 0.000 0.000 0.000) 0.000 8.696 ( 0.000 0.000 0.000) 0.000 8.841 ( 0.000 0.000 -0.000) 0.000 8.897 ( 0.000 0.000 -0.000) 0.000 9.167 ( 0.000 0.000 -0.000) 0.000 9.293 ( 0.000 0.000 -0.000) 0.000 9.407 ( 0.000 0.000 0.000) 0.000 9.535 ( -0.000 0.000 0.000) 0.000 9.576 ( 0.000 0.000 0.000) 0.000 9.707 ( 0.000 0.000 -0.000) 0.000 9.899 ( 0.000 0.000 -0.000) 0.000 9.960 ( 0.000 0.000 0.000) 0.000 12.949 ( 0.000 0.000 -0.000) 0.000 12.986 ( 0.000 0.000 0.000) 0.000 13.098 ( 0.000 0.000 0.000) 0.000 13.138 ( 0.000 0.000 -0.000) 0.000 13.672 ( 0.000 0.000 0.000) 0.000 13.711 ( 0.000 0.000 0.000) 0.000 13.783 ( 0.000 0.000 -0.000) 0.000 14.031 ( 0.000 0.000 -0.000) 0.000 14.107 ( 0.000 0.000 -0.000) 0.000 14.149 ( 0.000 0.000 -0.000) 0.000 14.328 ( 0.000 0.000 0.000) 0.000 14.360 ( 0.000 0.000 -0.000) 0.000 14.453 ( 0.000 0.000 -0.000) 0.000 14.521 ( 0.000 0.000 -0.000) 0.000 14.560 ( 0.000 0.000 0.000) 0.000 14.766 ( 0.000 0.000 -0.000) 0.000 14.905 ( 0.000 0.000 -0.000) 0.000 14.936 ( 0.000 0.000 0.000) 0.000 15.125 ( 0.000 0.000 0.000) 0.000 15.136 ( 0.000 0.000 -0.000) 0.000 15.241 ( 0.000 0.000 0.000) 0.000 15.304 ( 0.000 0.000 -0.000) 0.000 15.382 ( 0.000 0.000 0.000) 0.000 15.516 ( 0.000 0.000 -0.000) 0.000 15.754 ( 0.000 0.000 0.000) 0.000 15.813 ( 0.000 0.000 -0.000) 0.000 15.941 ( 0.000 0.000 -0.000) 0.000 16.131 ( 0.000 0.000 0.000) 0.000 16.715 ( 0.000 0.000 0.000) 0.000 16.929 ( 0.000 0.000 -0.000) 0.000 17.242 ( -0.000 0.000 -0.000) 0.000 17.254 ( 0.000 0.000 0.000) 0.000 21.070 ( 0.000 0.000 0.000) 0.000 21.082 ( 0.000 0.000 0.000) 0.000 21.442 ( 0.000 0.000 0.000) 0.000 21.458 ( 0.000 0.000 0.000) 0.000 21.639 ( -0.000 0.000 0.000) 0.000 21.703 ( 0.000 0.000 -0.000) 0.000 21.709 ( 0.000 0.000 -0.000) 0.000 21.938 ( 0.000 0.000 0.000) 0.000 22.312 ( 0.000 0.000 0.000) 0.000 22.426 ( 0.000 0.000 -0.000) 0.000 22.498 ( 0.000 0.000 -0.000) 0.000 22.522 ( 0.000 0.000 0.000) 0.000 22.752 ( 0.000 0.000 0.000) 0.000 22.930 ( 0.000 0.000 -0.000) 0.000 23.271 ( 0.000 0.000 -0.000) 0.000 23.272 ( -0.000 0.000 0.000) 0.000 24.088 ( 0.000 0.000 -0.000) 0.000 24.241 ( 0.000 0.000 -0.000) 0.000 24.277 ( 0.000 0.000 -0.000) 0.000 24.393 ( 0.000 0.000 0.000) 0.000 24.427 ( 0.000 0.000 0.000) 0.000 24.446 ( 0.000 0.000 -0.000) 0.000 24.481 ( 0.000 0.000 -0.000) 0.000 24.545 ( 0.000 0.000 0.000) 0.000 24.649 ( 0.000 0.000 -0.000) 0.000 24.695 ( 0.000 0.000 0.000) 0.000 24.855 ( -0.000 0.000 0.000) 0.000 24.873 ( 0.000 0.000 -0.000) 0.000 25.431 ( 0.000 0.000 0.000) 0.000 25.475 ( 0.000 0.000 -0.000) 0.000 25.734 ( 0.000 0.000 -0.000) 0.000 25.774 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 7 (5/48) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.536 ( 0.000 26.388 0.000) 26.388 0.569 ( 0.000 27.784 0.000) 27.784 0.959 ( 0.000 44.508 0.000) 44.508 1.570 ( 0.000 9.198 0.000) 9.198 1.678 ( 0.000 2.133 0.000) 2.133 1.713 ( 0.000 -3.504 0.000) 3.504 1.771 ( 0.000 5.503 0.000) 5.503 1.845 ( 0.000 0.843 0.000) 0.843 1.934 ( 0.000 -6.899 0.000) 6.899 2.107 ( 0.000 2.350 0.000) 2.350 2.142 ( 0.000 -0.589 0.000) 0.589 2.227 ( 0.000 -5.138 0.000) 5.138 2.369 ( 0.000 -6.183 0.000) 6.183 2.389 ( 0.000 -5.554 0.000) 5.554 2.587 ( 0.000 1.490 0.000) 1.490 2.673 ( 0.000 -2.008 0.000) 2.008 2.692 ( 0.000 1.450 0.000) 1.450 2.805 ( 0.000 -4.238 0.000) 4.238 2.849 ( 0.000 -2.814 0.000) 2.814 2.862 ( 0.000 -0.443 0.000) 0.443 2.917 ( 0.000 -0.411 0.000) 0.411 2.983 ( 0.000 -5.888 0.000) 5.888 2.996 ( 0.000 -3.616 0.000) 3.616 3.050 ( 0.000 0.321 0.000) 0.321 3.095 ( 0.000 -3.062 0.000) 3.062 3.127 ( 0.000 -6.227 0.000) 6.227 3.223 ( 0.000 -5.020 0.000) 5.020 3.344 ( 0.000 -6.746 0.000) 6.746 3.387 ( 0.000 4.397 0.000) 4.397 3.485 ( 0.000 9.653 0.000) 9.653 3.617 ( 0.000 10.093 0.000) 10.093 3.743 ( 0.000 -5.168 0.000) 5.168 3.757 ( 0.000 9.920 0.000) 9.920 3.948 ( 0.000 4.058 0.000) 4.058 4.028 ( 0.000 -1.210 0.000) 1.210 4.034 ( 0.000 6.403 0.000) 6.403 4.084 ( 0.000 -6.201 0.000) 6.201 4.156 ( 0.000 6.173 0.000) 6.173 4.401 ( 0.000 -9.827 0.000) 9.827 4.439 ( 0.000 -1.121 0.000) 1.121 4.645 ( 0.000 4.854 0.000) 4.854 4.665 ( 0.000 -11.954 0.000) 11.954 4.768 ( 0.000 -14.206 0.000) 14.206 4.887 ( 0.000 1.587 0.000) 1.587 4.909 ( 0.000 4.439 0.000) 4.439 5.044 ( 0.000 4.277 0.000) 4.277 5.211 ( 0.000 0.985 0.000) 0.985 5.214 ( 0.000 2.668 0.000) 2.668 5.262 ( 0.000 0.669 0.000) 0.669 5.290 ( 0.000 -9.296 0.000) 9.296 5.364 ( 0.000 7.795 0.000) 7.795 5.556 ( 0.000 9.113 0.000) 9.113 5.635 ( 0.000 -1.167 0.000) 1.167 5.840 ( 0.000 -1.978 0.000) 1.978 5.852 ( 0.000 -2.849 0.000) 2.849 5.985 ( 0.000 9.592 0.000) 9.592 6.038 ( 0.000 -1.243 0.000) 1.243 6.141 ( 0.000 10.099 0.000) 10.099 6.334 ( 0.000 -6.232 0.000) 6.232 6.518 ( 0.000 3.898 0.000) 3.898 6.548 ( 0.000 14.637 0.000) 14.637 6.693 ( 0.000 -9.246 0.000) 9.246 6.732 ( 0.000 -14.208 0.000) 14.208 6.963 ( 0.000 2.573 0.000) 2.573 7.040 ( 0.000 -3.624 0.000) 3.624 7.172 ( 0.000 0.848 0.000) 0.848 7.253 ( 0.000 1.856 0.000) 1.856 7.292 ( 0.000 0.000 0.000) 0.000 7.353 ( 0.000 -1.402 0.000) 1.402 7.415 ( 0.000 9.681 0.000) 9.681 7.503 ( 0.000 -8.488 0.000) 8.488 7.676 ( 0.000 1.401 0.000) 1.401 7.714 ( 0.000 -4.477 0.000) 4.477 7.771 ( 0.000 -8.053 0.000) 8.053 7.934 ( 0.000 3.564 0.000) 3.564 8.150 ( 0.000 -5.308 0.000) 5.308 8.324 ( 0.000 0.997 0.000) 0.997 8.329 ( 0.000 1.145 0.000) 1.145 8.428 ( 0.000 -1.180 0.000) 1.180 8.454 ( 0.000 -4.275 0.000) 4.275 8.548 ( 0.000 4.639 0.000) 4.639 8.609 ( 0.000 -1.053 0.000) 1.053 8.791 ( 0.000 2.930 0.000) 2.930 8.978 ( 0.000 -9.398 0.000) 9.398 9.085 ( 0.000 1.183 0.000) 1.183 9.274 ( 0.000 -2.856 0.000) 2.856 9.402 ( 0.000 8.358 0.000) 8.358 9.572 ( 0.000 -0.097 0.000) 0.097 9.745 ( 0.000 2.060 0.000) 2.060 9.798 ( 0.000 1.518 0.000) 1.518 9.846 ( 0.000 -0.340 0.000) 0.340 10.036 ( 0.000 -3.295 0.000) 3.295 12.849 ( 0.000 3.861 0.000) 3.861 13.120 ( 0.000 1.617 0.000) 1.617 13.131 ( 0.000 -2.987 0.000) 2.987 13.321 ( 0.000 -2.789 0.000) 2.789 13.717 ( 0.000 0.445 0.000) 0.445 13.748 ( 0.000 -0.680 0.000) 0.680 13.931 ( 0.000 2.878 0.000) 2.878 13.999 ( 0.000 0.974 0.000) 0.974 14.176 ( 0.000 0.044 0.000) 0.044 14.209 ( 0.000 1.032 0.000) 1.032 14.230 ( 0.000 -1.862 0.000) 1.862 14.316 ( 0.000 -3.664 0.000) 3.664 14.338 ( 0.000 -0.471 0.000) 0.471 14.420 ( 0.000 -7.649 0.000) 7.649 14.468 ( 0.000 3.208 0.000) 3.208 14.591 ( 0.000 0.001 0.000) 0.001 14.815 ( 0.000 2.823 0.000) 2.823 14.914 ( 0.000 1.082 0.000) 1.082 14.963 ( 0.000 -3.008 0.000) 3.008 15.033 ( 0.000 0.984 0.000) 0.984 15.188 ( 0.000 5.855 0.000) 5.855 15.332 ( 0.000 0.613 0.000) 0.613 15.597 ( 0.000 3.069 0.000) 3.069 15.619 ( 0.000 -5.043 0.000) 5.043 15.729 ( 0.000 -3.448 0.000) 3.448 15.821 ( 0.000 0.323 0.000) 0.323 16.046 ( 0.000 -1.931 0.000) 1.931 16.078 ( 0.000 -0.975 0.000) 0.975 16.221 ( 0.000 18.592 0.000) 18.592 16.893 ( 0.000 6.107 0.000) 6.107 17.244 ( 0.000 -8.466 0.000) 8.466 17.421 ( 0.000 -6.190 0.000) 6.190 21.110 ( 0.000 4.165 0.000) 4.165 21.223 ( 0.000 2.785 0.000) 2.785 21.339 ( 0.000 -1.227 0.000) 1.227 21.543 ( 0.000 -4.444 0.000) 4.444 21.544 ( 0.000 4.312 0.000) 4.312 21.916 ( 0.000 -4.876 0.000) 4.876 22.064 ( 0.000 2.809 0.000) 2.809 22.171 ( 0.000 -0.238 0.000) 0.238 22.313 ( 0.000 1.226 0.000) 1.226 22.421 ( 0.000 -0.446 0.000) 0.446 22.594 ( 0.000 2.081 0.000) 2.081 22.718 ( 0.000 -1.175 0.000) 1.175 22.821 ( 0.000 -0.720 0.000) 0.720 23.041 ( 0.000 -6.661 0.000) 6.661 23.237 ( 0.000 1.143 0.000) 1.143 23.258 ( 0.000 2.764 0.000) 2.764 23.731 ( 0.000 -0.476 0.000) 0.476 23.848 ( 0.000 -5.056 0.000) 5.056 24.208 ( 0.000 2.128 0.000) 2.128 24.243 ( 0.000 0.398 0.000) 0.398 24.456 ( 0.000 0.887 0.000) 0.887 24.536 ( 0.000 -1.165 0.000) 1.165 24.555 ( 0.000 1.165 0.000) 1.165 24.614 ( 0.000 0.026 0.000) 0.026 24.661 ( 0.000 1.045 0.000) 1.045 24.721 ( 0.000 -0.257 0.000) 0.257 25.021 ( 0.000 1.719 0.000) 1.719 25.160 ( 0.000 -1.685 0.000) 1.685 25.352 ( 0.000 -0.695 0.000) 0.695 25.413 ( 0.000 1.822 0.000) 1.822 25.416 ( 0.000 -1.973 0.000) 1.973 25.478 ( 0.000 0.109 0.000) 0.109 ======================= Grid point 8 (6/48) ======================= q-point: ( 0.17 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.676 ( 11.583 20.883 4.145) 24.237 0.739 ( 16.464 19.262 -2.040) 25.422 1.311 ( 30.336 29.201 0.133) 42.107 1.609 ( 0.405 12.972 -1.799) 13.102 1.663 ( -1.302 1.689 1.079) 2.390 1.728 ( -0.813 -1.309 0.209) 1.555 1.827 ( 10.206 -4.411 2.567) 11.411 1.867 ( 6.608 -0.823 -2.133) 6.992 1.982 ( 2.081 -3.559 0.688) 4.180 2.104 ( -0.733 1.108 -0.184) 1.341 2.144 ( -0.104 1.944 0.286) 1.968 2.249 ( 2.373 -5.220 2.003) 6.074 2.303 ( -8.250 -2.219 -0.300) 8.549 2.345 ( -3.448 -4.242 -0.691) 5.510 2.489 ( -12.161 -1.774 3.783) 12.859 2.537 ( -6.324 -0.675 -0.569) 6.385 2.742 ( 3.036 -1.004 -5.480) 6.345 2.776 ( -6.344 3.932 1.458) 7.605 2.808 ( -1.241 -2.282 7.581) 8.013 2.820 ( -4.226 1.506 -7.193) 8.478 2.887 ( -2.975 -4.038 2.919) 5.803 2.965 ( -3.437 -1.724 -0.762) 3.920 3.036 ( 1.221 -4.371 -0.142) 4.540 3.051 ( 2.536 -6.490 0.754) 7.009 3.124 ( 1.190 -0.817 -3.498) 3.784 3.181 ( 6.288 -7.176 2.963) 9.991 3.195 ( -0.226 -3.829 -4.355) 5.804 3.299 ( -3.268 -4.390 0.600) 5.506 3.373 ( -2.860 0.250 -0.605) 2.934 3.511 ( -6.420 5.695 0.418) 8.592 3.575 ( 4.715 8.292 0.192) 9.541 3.723 ( -3.038 5.080 -3.644) 6.951 3.861 ( 5.727 1.163 1.832) 6.124 3.920 ( 0.876 2.488 5.107) 5.748 4.017 ( 1.350 5.944 -0.964) 6.171 4.043 ( 1.143 0.819 0.919) 1.680 4.127 ( 1.335 -0.836 -8.059) 8.212 4.168 ( 1.794 2.022 6.912) 7.422 4.378 ( -12.139 2.743 -3.488) 12.925 4.415 ( -1.436 -6.137 0.042) 6.303 4.459 ( -5.010 0.346 1.516) 5.246 4.689 ( 0.862 -10.156 -0.475) 10.204 4.790 ( -0.490 -10.030 -0.022) 10.042 4.854 ( -1.390 -0.468 1.616) 2.183 4.952 ( 0.674 0.658 -1.801) 2.032 5.054 ( -0.171 1.308 -0.463) 1.398 5.170 ( -4.646 -2.079 -0.154) 5.092 5.199 ( -1.800 0.938 0.575) 2.109 5.221 ( -0.832 3.715 -5.308) 6.532 5.252 ( 1.701 -3.548 4.593) 6.048 5.352 ( 0.834 3.768 1.732) 4.230 5.558 ( 1.659 8.367 2.187) 8.806 5.692 ( 2.388 -1.388 -2.619) 3.806 5.781 ( -0.539 4.175 1.914) 4.625 5.913 ( -0.656 2.923 -1.778) 3.484 6.074 ( 9.671 -2.938 -0.238) 10.110 6.104 ( 4.136 5.667 1.310) 7.137 6.133 ( 0.628 5.917 1.167) 6.064 6.351 ( 2.120 -4.991 0.214) 5.427 6.486 ( -0.321 3.711 -4.175) 5.596 6.545 ( -1.604 10.362 -1.325) 10.569 6.659 ( 0.437 -3.836 3.532) 5.233 6.787 ( 1.319 -12.512 -5.458) 13.714 6.940 ( -2.051 2.412 1.115) 3.357 7.002 ( -2.782 -2.228 -0.818) 3.657 7.143 ( -2.859 1.386 1.978) 3.742 7.199 ( -4.014 1.550 0.548) 4.337 7.284 ( -1.193 -0.760 -1.372) 1.970 7.398 ( 0.964 0.700 0.896) 1.491 7.470 ( 2.784 1.431 1.129) 3.328 7.507 ( 1.269 -4.825 5.467) 7.401 7.699 ( 1.582 -3.973 -2.202) 4.810 7.763 ( 3.966 -0.712 2.437) 4.709 7.849 ( 6.726 -5.491 -1.849) 8.877 7.951 ( 1.740 3.650 -0.907) 4.144 8.048 ( -7.156 4.191 3.344) 8.942 8.222 ( -0.413 -1.713 2.962) 3.447 8.360 ( -2.187 -0.599 3.724) 4.359 8.427 ( -1.656 -1.138 0.081) 2.011 8.455 ( 0.518 -1.620 1.671) 2.384 8.577 ( -1.293 -2.081 -3.829) 4.546 8.667 ( 4.608 -1.247 -2.713) 5.491 8.898 ( 1.244 -4.832 -7.039) 8.629 8.910 ( 1.929 -4.581 -4.519) 6.718 9.037 ( -4.460 0.853 1.906) 4.925 9.272 ( -0.529 -2.968 0.736) 3.103 9.412 ( 1.443 7.197 -0.291) 7.346 9.545 ( -2.418 1.298 3.008) 4.072 9.736 ( -0.778 2.628 -0.146) 2.745 9.765 ( 0.412 3.515 -4.071) 5.395 9.822 ( -2.676 0.028 4.097) 4.894 10.018 ( -1.774 -3.100 -0.022) 3.572 12.860 ( 1.253 3.330 -0.603) 3.608 13.096 ( -2.250 -1.422 0.340) 2.683 13.122 ( -0.969 0.088 -1.245) 1.580 13.260 ( -4.578 -1.045 0.364) 4.710 13.713 ( -0.900 0.210 2.402) 2.573 13.726 ( -1.114 0.301 -1.824) 2.158 13.901 ( -3.130 2.214 -0.734) 3.903 14.004 ( 0.510 0.508 1.080) 1.298 14.150 ( -0.365 1.513 0.684) 1.700 14.185 ( -3.682 -1.281 0.071) 3.899 14.248 ( 1.117 -3.419 0.141) 3.600 14.310 ( -0.284 -4.291 -0.676) 4.353 14.391 ( 3.269 0.171 1.087) 3.450 14.417 ( 4.601 0.776 0.964) 4.764 14.518 ( 3.592 2.476 -2.201) 4.886 14.635 ( 3.708 0.213 -0.173) 3.718 14.867 ( -1.798 1.614 2.367) 3.382 14.892 ( 5.386 -0.592 -1.489) 5.619 15.009 ( 0.958 -1.960 -1.397) 2.590 15.040 ( 2.533 -0.475 -2.420) 3.535 15.243 ( 3.232 2.884 1.330) 4.532 15.339 ( 0.757 1.893 1.235) 2.384 15.482 ( -6.775 4.346 -0.157) 8.051 15.598 ( -0.264 -0.052 -0.204) 0.337 15.838 ( 0.300 2.892 -0.461) 2.944 15.901 ( 3.098 -5.807 -2.141) 6.921 16.063 ( 1.722 -3.483 3.011) 4.916 16.077 ( 1.288 -1.045 0.017) 1.658 16.314 ( 8.498 10.304 -0.905) 13.386 16.923 ( 3.430 -0.575 3.761) 5.123 17.191 ( -5.531 -7.711 0.679) 9.514 17.382 ( -3.910 -6.800 -0.288) 7.850 21.113 ( 0.260 4.346 0.077) 4.354 21.206 ( -1.192 5.888 1.163) 6.119 21.373 ( 3.359 -1.199 -0.115) 3.569 21.505 ( -1.848 0.218 0.599) 1.955 21.579 ( 1.260 -0.041 -0.803) 1.495 21.798 ( -13.107 9.890 8.319) 18.407 21.934 ( -6.214 0.911 -1.698) 6.506 22.053 ( -5.314 2.021 -10.272) 11.740 22.306 ( 1.021 2.946 -0.272) 3.130 22.427 ( 0.199 0.068 -0.129) 0.246 22.563 ( -2.375 1.528 0.412) 2.854 22.659 ( -7.420 2.608 -4.147) 8.892 22.749 ( -0.127 2.105 0.322) 2.133 22.877 ( 1.100 1.622 0.289) 1.981 23.181 ( 0.557 -1.743 -0.464) 1.888 23.381 ( -3.126 -4.290 -0.294) 5.316 23.915 ( 6.347 -4.115 1.351) 7.684 24.013 ( 13.510 -11.501 2.227) 17.882 24.218 ( -0.076 0.577 -5.750) 5.779 24.237 ( 1.312 1.344 0.205) 1.890 24.459 ( 0.297 1.290 -0.071) 1.326 24.511 ( -2.592 0.207 0.121) 2.603 24.572 ( 0.729 0.023 -0.652) 0.978 24.603 ( -1.139 -1.073 0.113) 1.568 24.671 ( 0.781 1.493 0.522) 1.764 24.710 ( -0.899 -0.795 1.917) 2.261 24.938 ( -9.690 4.491 2.093) 10.883 24.985 ( -3.403 0.378 1.020) 3.572 25.385 ( 0.983 0.191 0.174) 1.017 25.421 ( 2.586 -0.898 -1.094) 2.948 25.506 ( 5.593 0.797 -0.163) 5.652 25.723 ( 10.321 -10.640 1.109) 14.865 ======================= Grid point 9 (7/48) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( 15.077 12.447 3.635) 19.887 1.082 ( 17.284 8.574 -1.175) 19.329 1.527 ( -3.347 12.401 -3.740) 13.378 1.690 ( 4.505 -0.815 2.449) 5.192 1.747 ( 2.935 -2.239 0.942) 3.810 1.830 ( 11.801 10.407 -1.406) 15.797 1.969 ( -6.226 0.490 12.227) 13.730 1.988 ( -4.786 -0.321 -9.243) 10.414 2.031 ( -4.176 0.157 -0.436) 4.202 2.107 ( 1.828 -5.761 -0.481) 6.064 2.149 ( 0.508 6.521 0.959) 6.611 2.203 ( 23.939 5.539 -1.568) 24.622 2.232 ( -6.663 -3.271 0.570) 7.444 2.298 ( 3.017 -6.878 2.868) 8.039 2.316 ( -1.262 3.367 0.842) 3.693 2.451 ( -1.612 -4.194 -1.695) 4.802 2.594 ( -10.202 1.517 -0.206) 10.316 2.732 ( -3.185 1.966 -2.955) 4.768 2.786 ( -1.755 -0.804 1.204) 2.275 2.830 ( 3.043 1.102 1.980) 3.794 2.870 ( 0.812 -4.007 1.849) 4.487 2.901 ( 0.466 0.688 -2.554) 2.686 3.051 ( -1.678 -4.534 1.707) 5.127 3.089 ( 0.627 -2.183 -0.956) 2.464 3.132 ( 0.485 -0.462 -3.109) 3.181 3.199 ( -1.991 -4.825 -3.609) 6.346 3.226 ( -0.712 -2.661 1.563) 3.168 3.273 ( 0.457 -3.965 1.181) 4.163 3.315 ( -2.662 -1.128 1.016) 3.065 3.391 ( -4.037 5.892 0.584) 7.166 3.571 ( -10.864 5.233 -3.007) 12.427 3.654 ( -7.392 2.913 -0.120) 7.946 3.778 ( -7.632 7.427 2.601) 10.962 3.978 ( 2.917 0.172 2.257) 3.692 4.059 ( 2.400 3.852 -1.083) 4.666 4.090 ( 4.014 1.400 -0.469) 4.277 4.155 ( 2.888 2.103 -2.122) 4.155 4.222 ( 3.914 -0.962 2.021) 4.509 4.249 ( 5.101 -0.506 0.957) 5.214 4.380 ( -4.602 -0.624 0.358) 4.658 4.417 ( -0.298 -2.176 -1.442) 2.628 4.681 ( -2.490 -1.994 0.569) 3.240 4.727 ( -5.911 -6.393 -1.678) 8.867 4.832 ( -6.147 -8.736 0.954) 10.724 4.884 ( -1.207 -4.761 0.305) 4.921 4.997 ( -1.435 -2.427 -3.006) 4.121 5.134 ( -0.921 -3.495 -0.452) 3.642 5.174 ( -2.971 -2.860 1.003) 4.244 5.258 ( 6.200 -1.923 1.495) 6.661 5.362 ( 6.087 2.800 -0.152) 6.702 5.411 ( 3.757 3.492 0.175) 5.133 5.587 ( 0.259 3.007 3.617) 4.711 5.703 ( -1.435 0.851 -0.255) 1.688 5.768 ( 3.486 8.180 -3.847) 9.688 5.978 ( 2.675 -1.204 1.097) 3.132 6.060 ( -3.000 7.057 2.176) 7.971 6.165 ( 1.202 2.972 -1.044) 3.372 6.269 ( 6.725 3.007 0.543) 7.387 6.403 ( 1.568 -5.350 -1.608) 5.802 6.496 ( 2.204 -0.239 -5.741) 6.155 6.548 ( 2.679 2.242 3.521) 4.960 6.672 ( -0.463 2.616 1.496) 3.049 6.802 ( 0.883 -3.853 -2.611) 4.737 6.883 ( -3.850 2.106 -0.680) 4.441 6.968 ( -0.723 -1.307 -0.669) 1.636 7.077 ( -3.518 1.828 2.322) 4.594 7.144 ( -0.777 -1.080 -0.577) 1.450 7.261 ( -1.727 1.831 -3.870) 4.617 7.356 ( -3.868 0.708 3.363) 5.174 7.477 ( 0.112 -1.746 1.007) 2.018 7.565 ( 2.183 2.050 2.746) 4.064 7.720 ( 1.140 -6.792 -1.741) 7.104 7.796 ( -1.267 5.839 5.212) 7.928 7.937 ( 2.232 1.980 -0.397) 3.010 7.993 ( 0.229 -0.813 0.786) 1.154 8.032 ( 6.995 -2.952 -2.732) 8.069 8.226 ( 0.098 -4.209 1.673) 4.530 8.353 ( 0.891 -1.284 0.171) 1.573 8.389 ( -1.903 -1.544 0.351) 2.475 8.428 ( -2.487 -0.708 3.321) 4.208 8.545 ( -1.743 -2.694 0.160) 3.213 8.686 ( -1.294 -6.951 -4.208) 8.229 8.827 ( -3.119 1.052 0.277) 3.303 8.939 ( -1.817 -0.782 -6.147) 6.457 9.081 ( 6.660 -1.064 -1.770) 6.973 9.250 ( -1.581 -3.908 1.379) 4.435 9.452 ( 1.908 2.618 2.350) 4.002 9.508 ( -0.754 3.360 0.249) 3.453 9.694 ( -3.441 3.124 -0.601) 4.687 9.753 ( -2.536 1.085 1.413) 3.099 9.834 ( 3.985 0.517 -0.377) 4.036 9.977 ( -2.333 -2.518 0.083) 3.434 12.899 ( 2.796 1.901 -0.230) 3.389 13.041 ( -3.463 -1.884 -0.459) 3.969 13.103 ( -0.638 0.881 -0.635) 1.260 13.177 ( -3.809 -0.717 0.647) 3.930 13.687 ( -1.101 0.384 0.619) 1.320 13.719 ( -0.159 0.160 -0.122) 0.256 13.835 ( -3.086 2.258 -0.446) 3.850 14.016 ( 0.590 0.460 0.810) 1.102 14.112 ( -3.221 -2.272 0.004) 3.941 14.163 ( 1.046 1.584 0.272) 1.917 14.259 ( 0.185 -4.861 0.151) 4.867 14.312 ( 0.394 -4.475 -0.375) 4.508 14.444 ( 2.094 1.148 0.814) 2.523 14.521 ( 4.630 3.477 0.079) 5.791 14.584 ( 2.485 3.335 -1.207) 4.330 14.704 ( 3.134 -1.279 0.538) 3.428 14.877 ( 2.788 1.638 0.949) 3.370 14.983 ( 3.108 1.592 -2.081) 4.065 15.030 ( 1.851 -1.521 -3.752) 4.452 15.101 ( 4.262 -4.426 1.133) 6.248 15.239 ( -5.219 -1.189 3.972) 6.666 15.363 ( 1.755 5.731 1.465) 6.170 15.393 ( -1.520 3.593 -1.181) 4.076 15.613 ( 1.416 5.352 -0.785) 5.592 15.803 ( -2.355 2.953 -3.276) 5.000 15.913 ( -1.696 2.168 0.634) 2.825 15.996 ( -2.714 3.654 1.178) 4.702 16.146 ( 0.825 -1.671 1.011) 2.120 16.510 ( 11.805 2.007 -2.099) 12.157 17.020 ( 6.002 -6.794 4.095) 9.948 17.041 ( -9.450 -6.049 1.162) 11.280 17.282 ( -6.261 -7.871 -1.378) 10.151 21.116 ( -0.004 4.661 0.237) 4.667 21.196 ( 0.066 8.793 0.673) 8.819 21.448 ( 3.388 0.296 -0.144) 3.404 21.479 ( -0.574 -0.208 0.356) 0.707 21.569 ( -1.079 2.201 0.018) 2.451 21.682 ( -0.021 2.257 0.760) 2.382 21.830 ( -5.974 -0.053 0.842) 6.033 21.960 ( -3.927 -0.775 -4.875) 6.308 22.330 ( 1.183 2.756 0.150) 3.003 22.428 ( -0.092 0.287 -0.263) 0.400 22.524 ( -1.454 0.830 1.224) 2.074 22.567 ( -3.043 1.573 -3.019) 4.567 22.755 ( 0.234 1.084 0.472) 1.205 22.909 ( 1.455 -0.178 0.696) 1.622 23.201 ( 1.481 -2.399 -0.153) 2.824 23.302 ( -4.046 -3.596 -0.247) 5.418 24.037 ( 5.547 -1.291 1.678) 5.938 24.190 ( 6.601 -5.594 4.589) 9.794 24.220 ( 1.033 -0.003 -2.419) 2.631 24.295 ( 4.387 -1.062 -6.969) 8.303 24.424 ( -4.745 -0.356 -1.763) 5.075 24.484 ( 0.316 1.155 0.693) 1.384 24.531 ( -4.400 -0.533 3.046) 5.377 24.588 ( -1.213 -0.593 -0.542) 1.455 24.665 ( -0.793 1.452 0.456) 1.716 24.711 ( 0.291 0.720 0.951) 1.228 24.831 ( -1.663 0.919 0.110) 1.903 24.912 ( -3.801 -1.184 1.220) 4.164 25.415 ( 1.597 0.172 0.498) 1.682 25.457 ( 1.309 -0.639 -1.180) 1.875 25.629 ( 6.595 0.757 -0.604) 6.666 25.799 ( -0.502 -4.925 1.273) 5.111 ======================= Grid point 10 (8/48) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( 0.000 6.087 0.000) 6.087 1.195 ( -0.000 5.722 -0.000) 5.722 1.634 ( -0.000 10.390 0.000) 10.390 1.642 ( 0.000 12.737 -0.000) 12.737 1.765 ( 0.000 -0.519 0.000) 0.519 1.805 ( 0.000 -2.082 -0.000) 2.082 1.918 ( -0.000 -1.831 -0.000) 1.831 1.939 ( 0.000 -0.395 0.000) 0.395 2.015 ( -0.000 0.766 -0.000) 0.766 2.025 ( 0.000 -0.951 0.000) 0.951 2.160 ( 0.000 -0.777 -0.000) 0.777 2.175 ( 0.000 -0.813 0.000) 0.813 2.319 ( 0.000 -3.399 -0.000) 3.399 2.352 ( 0.000 -3.300 0.000) 3.300 2.442 ( -0.000 -5.657 0.000) 5.657 2.461 ( 0.000 1.589 -0.000) 1.589 2.696 ( 0.000 3.292 -0.000) 3.292 2.739 ( -0.000 4.244 0.000) 4.244 2.800 ( -0.000 -6.736 -0.000) 6.736 2.837 ( 0.000 0.934 -0.000) 0.934 2.909 ( 0.000 0.375 -0.000) 0.375 2.935 ( 0.000 2.738 0.000) 2.738 2.993 ( -0.000 2.442 -0.000) 2.442 3.004 ( 0.000 4.042 0.000) 4.042 3.117 ( 0.000 -1.302 -0.000) 1.302 3.190 ( 0.000 -2.938 -0.000) 2.938 3.213 ( 0.000 -1.697 0.000) 1.697 3.242 ( 0.000 0.330 0.000) 0.330 3.282 ( 0.000 2.022 -0.000) 2.022 3.311 ( -0.000 1.342 0.000) 1.342 3.401 ( 0.000 6.398 -0.000) 6.398 3.471 ( 0.000 0.881 0.000) 0.881 3.874 ( 0.000 2.506 -0.000) 2.506 3.935 ( 0.000 1.617 0.000) 1.617 4.123 ( 0.000 0.434 -0.000) 0.434 4.136 ( 0.000 0.670 -0.000) 0.670 4.176 ( 0.000 3.100 -0.000) 3.100 4.260 ( 0.000 -0.971 -0.000) 0.971 4.297 ( 0.000 1.496 0.000) 1.496 4.410 ( 0.000 -0.992 0.000) 0.992 4.446 ( 0.000 -4.943 0.000) 4.943 4.532 ( -0.000 -10.207 -0.000) 10.207 4.674 ( 0.000 -0.260 0.000) 0.260 4.754 ( 0.000 1.045 -0.000) 1.045 4.892 ( 0.000 -6.810 0.000) 6.810 4.997 ( 0.000 -7.719 -0.000) 7.719 5.119 ( 0.000 -6.154 0.000) 6.154 5.139 ( 0.000 -3.896 -0.000) 3.896 5.377 ( 0.000 -0.660 0.000) 0.660 5.378 ( -0.000 -5.427 -0.000) 5.427 5.439 ( 0.000 10.999 0.000) 10.999 5.609 ( 0.000 -0.764 0.000) 0.764 5.662 ( 0.000 8.005 0.000) 8.005 5.886 ( 0.000 0.002 -0.000) 0.002 5.940 ( -0.000 1.326 0.000) 1.326 6.026 ( 0.000 6.745 -0.000) 6.745 6.171 ( 0.000 2.946 0.000) 2.946 6.357 ( 0.000 6.198 0.000) 6.198 6.398 ( 0.000 -5.681 0.000) 5.681 6.565 ( 0.000 4.446 -0.000) 4.446 6.576 ( 0.000 -3.928 0.000) 3.928 6.637 ( 0.000 -1.520 0.000) 1.520 6.808 ( 0.000 8.528 -0.000) 8.528 6.841 ( 0.000 -3.455 0.000) 3.455 6.960 ( 0.000 -0.636 0.000) 0.636 7.040 ( 0.000 1.418 0.000) 1.418 7.178 ( 0.000 -6.243 -0.000) 6.243 7.199 ( -0.000 2.049 0.000) 2.049 7.320 ( 0.000 5.718 -0.000) 5.718 7.479 ( 0.000 -1.271 -0.000) 1.271 7.582 ( 0.000 3.545 -0.000) 3.545 7.738 ( 0.000 -7.040 0.000) 7.040 7.771 ( 0.000 6.416 -0.000) 6.416 7.980 ( -0.000 2.264 0.000) 2.264 7.980 ( 0.000 -1.578 -0.000) 1.578 8.126 ( 0.000 -3.089 0.000) 3.089 8.217 ( 0.000 -6.741 0.000) 6.741 8.355 ( 0.000 -1.593 0.000) 1.593 8.376 ( 0.000 -3.065 -0.000) 3.065 8.400 ( 0.000 0.081 0.000) 0.081 8.520 ( 0.000 -2.103 0.000) 2.103 8.686 ( 0.000 -11.502 0.000) 11.502 8.774 ( 0.000 5.217 0.000) 5.217 8.931 ( 0.000 0.982 -0.000) 0.982 9.158 ( 0.000 -0.789 0.000) 0.789 9.225 ( 0.000 -4.487 -0.000) 4.487 9.460 ( 0.000 2.800 0.000) 2.800 9.525 ( 0.000 -0.770 0.000) 0.770 9.639 ( 0.000 5.565 0.000) 5.565 9.729 ( 0.000 2.086 -0.000) 2.086 9.887 ( 0.000 -1.110 -0.000) 1.110 9.943 ( 0.000 -1.811 -0.000) 1.811 12.952 ( 0.000 0.281 -0.000) 0.281 12.981 ( 0.000 -0.494 0.000) 0.494 13.101 ( 0.000 0.354 0.000) 0.354 13.134 ( 0.000 -0.367 -0.000) 0.367 13.677 ( 0.000 0.492 0.000) 0.492 13.717 ( 0.000 -0.041 0.000) 0.041 13.803 ( 0.000 2.554 -0.000) 2.554 14.022 ( 0.000 0.467 0.000) 0.467 14.079 ( 0.000 -2.524 -0.000) 2.524 14.175 ( 0.000 1.286 -0.000) 1.286 14.260 ( 0.000 -5.099 -0.000) 5.099 14.317 ( 0.000 -4.332 -0.000) 4.332 14.464 ( 0.000 1.668 -0.000) 1.668 14.568 ( 0.000 3.987 -0.000) 3.987 14.604 ( 0.000 3.628 0.000) 3.628 14.738 ( 0.000 -2.671 -0.000) 2.671 14.915 ( 0.000 0.165 0.000) 0.165 15.031 ( 0.000 -4.872 -0.000) 4.872 15.061 ( 0.000 10.738 0.000) 10.738 15.125 ( 0.000 -3.599 -0.000) 3.599 15.171 ( 0.000 -4.717 0.000) 4.717 15.384 ( -0.000 0.806 -0.000) 0.806 15.384 ( 0.000 6.051 0.000) 6.051 15.625 ( 0.000 6.774 -0.000) 6.774 15.808 ( 0.000 1.052 0.000) 1.052 15.842 ( 0.000 7.666 -0.000) 7.666 15.991 ( 0.000 4.231 -0.000) 4.231 16.142 ( 0.000 0.667 0.000) 0.667 16.684 ( 0.000 -2.412 0.000) 2.412 16.887 ( 0.000 -3.889 -0.000) 3.889 17.147 ( -0.000 -9.158 -0.000) 9.158 17.158 ( 0.000 -7.456 0.000) 7.456 21.115 ( 0.000 4.711 0.000) 4.711 21.199 ( 0.000 9.579 -0.000) 9.579 21.463 ( 0.000 0.934 0.000) 0.934 21.484 ( 0.000 1.667 0.000) 1.667 21.586 ( 0.000 -3.105 0.000) 3.105 21.698 ( -0.000 -1.136 -0.000) 1.136 21.742 ( 0.000 2.857 -0.000) 2.857 21.920 ( 0.000 -1.740 0.000) 1.740 22.342 ( 0.000 2.744 0.000) 2.744 22.426 ( 0.000 0.171 -0.000) 0.171 22.512 ( 0.000 1.063 0.000) 1.063 22.536 ( 0.000 0.910 -0.000) 0.910 22.757 ( 0.000 1.137 0.000) 1.137 22.923 ( 0.000 -0.640 0.000) 0.640 23.235 ( 0.000 -3.334 -0.000) 3.334 23.243 ( -0.000 -2.667 0.000) 2.667 24.093 ( 0.000 0.694 -0.000) 0.694 24.233 ( 0.000 -0.762 -0.000) 0.762 24.293 ( -0.000 1.228 -0.000) 1.228 24.334 ( 0.000 -4.650 0.000) 4.650 24.381 ( 0.000 -3.454 0.000) 3.454 24.425 ( 0.000 -1.616 -0.000) 1.616 24.516 ( 0.000 2.083 -0.000) 2.083 24.558 ( 0.000 0.709 0.000) 0.709 24.659 ( 0.000 1.316 -0.000) 1.316 24.710 ( 0.000 1.388 0.000) 1.388 24.848 ( -0.000 -0.707 0.000) 0.707 24.851 ( 0.000 -1.928 -0.000) 1.928 25.432 ( 0.000 0.131 -0.000) 0.131 25.470 ( 0.000 -0.562 -0.000) 0.562 25.727 ( 0.000 -0.549 -0.000) 0.549 25.756 ( -0.000 -1.476 0.000) 1.476 ======================= Grid point 14 (9/48) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( 0.000 24.238 0.000) 24.238 1.100 ( 0.000 24.548 0.000) 24.548 1.442 ( 0.000 -7.992 0.000) 7.992 1.514 ( 0.000 -16.128 0.000) 16.128 1.684 ( 0.000 2.930 0.000) 2.930 1.773 ( 0.000 -5.885 0.000) 5.885 1.798 ( 0.000 8.550 0.000) 8.550 1.946 ( 0.000 -6.815 0.000) 6.815 1.981 ( 0.000 13.977 0.000) 13.977 2.071 ( 0.000 23.221 0.000) 23.221 2.164 ( 0.000 1.672 0.000) 1.672 2.242 ( 0.000 -5.978 0.000) 5.978 2.286 ( 0.000 -3.054 0.000) 3.054 2.365 ( 0.000 10.778 0.000) 10.778 2.540 ( 0.000 -6.810 0.000) 6.810 2.649 ( 0.000 -3.358 0.000) 3.358 2.737 ( 0.000 -10.779 0.000) 10.779 2.739 ( 0.000 -1.307 0.000) 1.307 2.765 ( 0.000 3.189 0.000) 3.189 2.799 ( 0.000 -4.786 0.000) 4.786 2.813 ( 0.000 -6.070 0.000) 6.070 2.878 ( 0.000 -7.231 0.000) 7.231 2.912 ( 0.000 1.004 0.000) 1.004 2.968 ( 0.000 -3.691 0.000) 3.691 3.053 ( 0.000 -1.652 0.000) 1.652 3.080 ( 0.000 -5.903 0.000) 5.903 3.117 ( 0.000 4.669 0.000) 4.669 3.224 ( 0.000 -5.769 0.000) 5.769 3.503 ( 0.000 6.305 0.000) 6.305 3.622 ( 0.000 -5.886 0.000) 5.886 3.704 ( 0.000 10.749 0.000) 10.749 3.872 ( 0.000 12.982 0.000) 12.982 3.906 ( 0.000 -9.369 0.000) 9.369 3.943 ( 0.000 8.212 0.000) 8.212 4.010 ( 0.000 -2.832 0.000) 2.832 4.121 ( 0.000 13.276 0.000) 13.276 4.167 ( 0.000 -12.238 0.000) 12.238 4.183 ( 0.000 8.411 0.000) 8.411 4.290 ( 0.000 7.085 0.000) 7.085 4.357 ( 0.000 -7.713 0.000) 7.713 4.439 ( 0.000 -16.762 0.000) 16.762 4.447 ( 0.000 -9.288 0.000) 9.288 4.775 ( 0.000 7.656 0.000) 7.656 4.934 ( 0.000 -6.365 0.000) 6.365 4.954 ( 0.000 5.155 0.000) 5.155 5.050 ( 0.000 -1.682 0.000) 1.682 5.164 ( 0.000 -0.985 0.000) 0.985 5.211 ( 0.000 -2.012 0.000) 2.012 5.264 ( 0.000 1.653 0.000) 1.653 5.271 ( 0.000 0.493 0.000) 0.493 5.552 ( 0.000 9.043 0.000) 9.043 5.645 ( 0.000 0.394 0.000) 0.394 5.706 ( 0.000 3.743 0.000) 3.743 5.780 ( 0.000 -3.886 0.000) 3.886 5.851 ( 0.000 6.923 0.000) 6.923 6.002 ( 0.000 -3.668 0.000) 3.668 6.166 ( 0.000 4.759 0.000) 4.759 6.195 ( 0.000 -4.792 0.000) 4.792 6.379 ( 0.000 7.946 0.000) 7.946 6.485 ( 0.000 -2.637 0.000) 2.637 6.497 ( 0.000 -8.381 0.000) 8.381 6.575 ( 0.000 -1.528 0.000) 1.528 6.868 ( 0.000 14.546 0.000) 14.546 6.961 ( 0.000 -1.181 0.000) 1.181 6.989 ( 0.000 -0.503 0.000) 0.503 7.157 ( 0.000 -7.674 0.000) 7.674 7.240 ( 0.000 -0.335 0.000) 0.335 7.263 ( 0.000 -3.670 0.000) 3.670 7.322 ( 0.000 1.670 0.000) 1.670 7.377 ( 0.000 -3.937 0.000) 3.937 7.590 ( 0.000 5.188 0.000) 5.188 7.622 ( 0.000 -3.730 0.000) 3.730 7.652 ( 0.000 -0.662 0.000) 0.662 7.688 ( 0.000 -0.738 0.000) 0.738 7.978 ( 0.000 1.879 0.000) 1.879 8.049 ( 0.000 -4.896 0.000) 4.896 8.345 ( 0.000 0.961 0.000) 0.961 8.347 ( 0.000 0.760 0.000) 0.760 8.387 ( 0.000 -1.724 0.000) 1.724 8.390 ( 0.000 -1.964 0.000) 1.964 8.607 ( 0.000 1.251 0.000) 1.251 8.624 ( 0.000 1.325 0.000) 1.325 8.821 ( 0.000 0.113 0.000) 0.113 8.840 ( 0.000 -3.541 0.000) 3.541 9.129 ( 0.000 3.176 0.000) 3.176 9.203 ( 0.000 -3.904 0.000) 3.904 9.521 ( 0.000 3.541 0.000) 3.541 9.563 ( 0.000 -1.010 0.000) 1.010 9.816 ( 0.000 2.837 0.000) 2.837 9.833 ( 0.000 3.763 0.000) 3.763 9.837 ( 0.000 -0.577 0.000) 0.577 9.945 ( 0.000 -5.565 0.000) 5.565 12.946 ( 0.000 5.394 0.000) 5.394 13.051 ( 0.000 -4.803 0.000) 4.803 13.170 ( 0.000 3.351 0.000) 3.351 13.248 ( 0.000 -4.116 0.000) 4.116 13.723 ( 0.000 0.263 0.000) 0.263 13.733 ( 0.000 -0.722 0.000) 0.722 14.018 ( 0.000 5.360 0.000) 5.360 14.057 ( 0.000 4.953 0.000) 4.953 14.126 ( 0.000 -5.056 0.000) 5.056 14.178 ( 0.000 -4.743 0.000) 4.743 14.229 ( 0.000 0.835 0.000) 0.835 14.250 ( 0.000 -2.545 0.000) 2.545 14.306 ( 0.000 -1.393 0.000) 1.393 14.316 ( 0.000 -1.369 0.000) 1.369 14.536 ( 0.000 2.874 0.000) 2.874 14.577 ( 0.000 -1.353 0.000) 1.353 14.883 ( 0.000 2.357 0.000) 2.357 14.907 ( 0.000 -1.073 0.000) 1.073 14.941 ( 0.000 2.125 0.000) 2.125 15.018 ( 0.000 -3.169 0.000) 3.169 15.301 ( 0.000 4.756 0.000) 4.756 15.350 ( 0.000 0.213 0.000) 0.213 15.574 ( 0.000 0.851 0.000) 0.851 15.642 ( 0.000 -4.803 0.000) 4.803 15.695 ( 0.000 5.768 0.000) 5.768 15.796 ( 0.000 -3.397 0.000) 3.397 16.018 ( 0.000 -0.177 0.000) 0.177 16.041 ( 0.000 -1.979 0.000) 1.979 16.625 ( 0.000 20.148 0.000) 20.148 16.995 ( 0.000 -15.975 0.000) 15.975 17.057 ( 0.000 9.692 0.000) 9.692 17.257 ( 0.000 -9.612 0.000) 9.612 21.215 ( 0.000 5.503 0.000) 5.503 21.299 ( 0.000 4.922 0.000) 4.922 21.299 ( 0.000 -2.848 0.000) 2.848 21.424 ( 0.000 -6.890 0.000) 6.890 21.660 ( 0.000 6.832 0.000) 6.832 21.799 ( 0.000 -6.631 0.000) 6.631 22.118 ( 0.000 2.458 0.000) 2.458 22.157 ( 0.000 -1.301 0.000) 1.301 22.351 ( 0.000 2.433 0.000) 2.433 22.398 ( 0.000 -1.906 0.000) 1.906 22.643 ( 0.000 2.510 0.000) 2.510 22.688 ( 0.000 -1.839 0.000) 1.839 22.828 ( 0.000 2.052 0.000) 2.052 22.910 ( 0.000 -5.805 0.000) 5.805 23.265 ( 0.000 1.513 0.000) 1.513 23.285 ( 0.000 -0.071 0.000) 0.071 23.726 ( 0.000 0.283 0.000) 0.283 23.758 ( 0.000 -3.178 0.000) 3.178 24.241 ( 0.000 0.981 0.000) 0.981 24.249 ( 0.000 0.077 0.000) 0.077 24.479 ( 0.000 1.386 0.000) 1.386 24.508 ( 0.000 -1.464 0.000) 1.464 24.583 ( 0.000 1.446 0.000) 1.446 24.607 ( 0.000 -0.771 0.000) 0.771 24.687 ( 0.000 1.369 0.000) 1.369 24.710 ( 0.000 -0.855 0.000) 0.855 25.064 ( 0.000 2.487 0.000) 2.487 25.116 ( 0.000 -2.531 0.000) 2.531 25.351 ( 0.000 0.605 0.000) 0.605 25.376 ( 0.000 -1.784 0.000) 1.784 25.447 ( 0.000 1.510 0.000) 1.510 25.471 ( 0.000 -0.800 0.000) 0.800 ======================= Grid point 15 (10/48) ======================= q-point: ( 0.17 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( 4.652 19.561 3.011) 20.330 1.146 ( 6.198 18.145 -0.507) 19.181 1.565 ( 9.177 -7.880 -0.097) 12.096 1.615 ( 6.027 -10.734 -0.376) 12.316 1.679 ( 3.694 -2.338 0.865) 4.457 1.692 ( -1.943 -1.431 0.896) 2.574 1.884 ( 4.904 6.840 0.496) 8.431 1.983 ( 0.802 1.340 4.617) 4.874 1.995 ( 1.421 2.901 -4.369) 5.434 2.142 ( 2.274 10.069 -5.227) 11.570 2.182 ( 5.237 5.343 1.446) 7.620 2.213 ( -1.879 -1.482 6.247) 6.690 2.273 ( -0.203 2.539 -3.854) 4.619 2.351 ( -1.550 10.234 -1.031) 10.402 2.494 ( -7.029 -3.074 -1.516) 7.821 2.536 ( -8.228 2.899 8.263) 12.016 2.680 ( -3.864 -4.139 5.411) 7.832 2.744 ( 0.609 -2.210 -1.056) 2.524 2.770 ( -7.375 -3.476 2.401) 8.500 2.828 ( 6.100 -7.321 -1.808) 9.699 2.835 ( 1.490 -0.489 -0.031) 1.569 2.888 ( 4.596 -6.384 -3.485) 8.604 2.935 ( -0.780 -2.778 -2.215) 3.637 2.955 ( 3.409 -2.803 -4.536) 6.329 3.047 ( -1.139 -1.661 -2.697) 3.366 3.076 ( 1.642 -4.707 -6.863) 8.483 3.137 ( 1.073 0.827 3.674) 3.916 3.202 ( -2.257 -4.437 2.692) 5.659 3.446 ( -5.549 4.621 1.106) 7.306 3.525 ( -7.907 -3.071 1.707) 8.652 3.735 ( 2.092 6.963 1.245) 7.377 3.814 ( -4.814 1.241 -1.897) 5.321 3.953 ( 3.530 5.734 -1.238) 6.846 3.993 ( 2.858 5.004 3.826) 6.917 4.032 ( 1.427 -1.695 0.848) 2.373 4.091 ( 2.134 0.088 0.863) 2.304 4.163 ( -1.392 6.590 -2.160) 7.073 4.249 ( 2.043 -2.229 -0.174) 3.029 4.288 ( 0.632 4.013 1.615) 4.372 4.404 ( 2.503 -1.535 -2.104) 3.613 4.443 ( -1.068 -6.671 -0.606) 6.784 4.488 ( 4.609 -10.464 -2.545) 11.714 4.614 ( -11.255 2.907 0.107) 11.625 4.796 ( -13.260 -11.407 -1.444) 17.551 4.944 ( -1.687 5.518 2.280) 6.204 5.064 ( -0.617 -2.905 1.843) 3.495 5.149 ( -3.279 -0.054 1.410) 3.570 5.185 ( -6.202 -0.330 1.118) 6.311 5.231 ( 1.953 1.880 -3.115) 4.130 5.268 ( 5.121 -0.675 -2.889) 5.919 5.474 ( -4.617 7.678 -1.042) 9.020 5.614 ( -4.440 -4.869 0.214) 6.593 5.763 ( 1.579 8.666 -0.400) 8.817 5.851 ( 7.982 0.916 1.447) 8.164 5.959 ( 2.993 1.901 1.939) 4.041 6.016 ( 6.985 -1.803 2.055) 7.501 6.192 ( 1.844 3.855 1.195) 4.437 6.228 ( 3.130 -4.128 0.794) 5.241 6.375 ( 0.459 7.844 -2.788) 8.337 6.450 ( -2.034 0.635 -0.581) 2.209 6.529 ( 2.472 -10.706 -5.517) 12.295 6.577 ( -0.296 -2.298 3.974) 4.600 6.866 ( -0.108 12.533 -0.168) 12.534 6.946 ( -1.004 0.405 -1.425) 1.789 6.981 ( -0.805 -0.190 -1.050) 1.336 7.127 ( -3.224 -7.876 0.281) 8.515 7.189 ( -3.488 1.418 2.411) 4.472 7.229 ( -0.487 -3.007 0.033) 3.047 7.409 ( 4.520 1.154 0.069) 4.666 7.448 ( 5.747 -0.947 0.046) 5.825 7.551 ( -3.231 1.655 -0.177) 3.635 7.597 ( -0.169 -3.857 -0.168) 3.865 7.737 ( 6.561 0.684 1.363) 6.736 7.784 ( 6.988 -1.681 -0.740) 7.225 7.988 ( 0.901 1.322 -0.415) 1.653 8.038 ( -1.045 -3.445 1.334) 3.839 8.252 ( -4.175 3.211 2.516) 5.837 8.315 ( -2.540 -2.940 2.468) 4.603 8.411 ( -1.142 -0.293 0.237) 1.202 8.422 ( 0.597 -1.383 0.597) 1.620 8.574 ( -2.894 1.869 -1.791) 3.882 8.627 ( -1.161 -2.656 1.534) 3.280 8.827 ( 0.234 -1.058 -5.940) 6.038 8.850 ( 3.128 -2.416 -3.699) 5.413 9.098 ( -2.392 4.467 0.992) 5.163 9.193 ( -1.259 -4.601 0.475) 4.793 9.523 ( 0.070 3.535 0.760) 3.617 9.558 ( -0.481 -0.272 1.647) 1.737 9.800 ( -1.481 1.816 -1.146) 2.609 9.814 ( -1.663 0.920 -0.440) 1.950 9.828 ( -0.366 3.217 1.386) 3.522 9.932 ( -1.184 -5.206 0.147) 5.341 12.944 ( -0.134 4.633 -0.455) 4.658 13.034 ( -1.666 -4.057 -0.302) 4.396 13.155 ( -1.456 2.565 -0.401) 2.976 13.214 ( -3.068 -3.047 0.028) 4.324 13.715 ( -0.949 0.101 1.128) 1.478 13.722 ( -0.808 -0.507 -0.630) 1.143 13.982 ( -3.323 5.594 -0.208) 6.509 14.056 ( 0.243 4.357 0.389) 4.382 14.102 ( -2.724 -5.427 -0.461) 6.090 14.173 ( -0.176 -5.162 0.127) 5.166 14.193 ( -1.551 -0.545 0.018) 1.644 14.208 ( -1.260 -1.374 0.859) 2.053 14.407 ( 6.487 1.117 1.563) 6.765 14.424 ( 7.670 -0.391 1.643) 7.854 14.565 ( 3.556 2.367 -0.971) 4.381 14.613 ( 3.208 -2.206 -1.114) 4.049 14.897 ( 0.111 1.728 0.033) 1.732 14.917 ( 2.211 2.125 -3.731) 4.829 14.952 ( 1.372 -0.946 1.967) 2.578 15.023 ( 0.395 -3.814 -1.517) 4.123 15.307 ( 0.151 4.392 1.782) 4.742 15.372 ( 1.363 -0.806 1.069) 1.910 15.553 ( -1.258 5.227 -0.079) 5.377 15.654 ( 1.564 -0.567 -1.398) 2.173 15.781 ( 5.583 -0.857 0.550) 5.675 15.847 ( 5.424 -2.969 -0.431) 6.199 16.020 ( 1.004 0.208 0.109) 1.031 16.052 ( 0.933 -2.176 1.104) 2.613 16.622 ( -0.044 17.784 -0.867) 17.806 16.959 ( -3.640 -14.266 -2.461) 14.927 17.020 ( -3.291 7.690 3.139) 8.934 17.208 ( -4.813 -9.764 0.491) 10.897 21.227 ( 0.993 6.298 -0.017) 6.376 21.307 ( 1.107 4.738 1.376) 5.057 21.329 ( 2.896 -3.197 -0.493) 4.341 21.423 ( -0.053 -6.290 1.022) 6.373 21.655 ( -0.546 5.949 -0.393) 5.987 21.776 ( -2.486 -5.451 0.788) 6.043 22.024 ( -9.015 3.880 0.731) 9.842 22.069 ( -7.139 -0.690 -4.634) 8.539 22.365 ( 1.270 2.850 1.075) 3.300 22.413 ( 1.016 -1.661 1.007) 2.193 22.604 ( -3.290 2.199 -1.417) 4.203 22.646 ( -4.056 -1.966 -2.246) 5.036 22.822 ( -0.518 3.836 0.905) 3.975 22.890 ( -0.472 -1.901 1.480) 2.455 23.184 ( -2.685 3.064 -1.569) 4.366 23.279 ( -3.321 -5.431 -0.789) 6.414 23.849 ( 8.977 -1.449 1.184) 9.170 23.870 ( 10.501 -3.539 1.280) 11.155 24.236 ( -0.492 0.986 -2.623) 2.845 24.249 ( 0.586 -0.144 -0.996) 1.165 24.489 ( 0.475 1.429 0.417) 1.563 24.510 ( -0.855 -0.535 0.506) 1.128 24.576 ( -0.509 0.345 0.110) 0.624 24.586 ( -2.144 -0.643 0.468) 2.287 24.696 ( 0.736 0.799 -0.043) 1.087 24.704 ( -0.279 -0.158 -0.156) 0.357 24.984 ( -8.872 0.863 1.203) 8.994 24.990 ( -6.130 0.087 0.874) 6.192 25.389 ( 1.656 0.348 -0.437) 1.748 25.402 ( 2.579 -0.877 -0.766) 2.830 25.531 ( 6.654 1.794 0.247) 6.896 25.586 ( 8.819 -4.029 0.504) 9.709 ======================= Grid point 16 (11/48) ======================= q-point: ( 0.33 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( 7.554 13.145 1.405) 15.226 1.294 ( 7.185 8.377 0.749) 11.062 1.646 ( 4.042 -1.556 0.018) 4.331 1.674 ( 3.866 -3.292 -0.712) 5.127 1.767 ( 5.050 5.253 -1.395) 7.419 1.859 ( 8.632 -7.908 3.348) 12.176 1.940 ( -2.620 3.653 0.438) 4.517 1.984 ( 4.586 2.347 -0.231) 5.157 2.025 ( -0.603 -1.621 -0.414) 1.778 2.089 ( -4.505 -3.983 -0.958) 6.090 2.133 ( -10.051 1.717 2.203) 10.432 2.175 ( -1.814 -3.317 1.685) 4.139 2.263 ( -4.695 2.195 -2.043) 5.571 2.325 ( -6.859 -5.068 -4.992) 9.882 2.377 ( -2.955 5.445 5.176) 8.073 2.476 ( -0.450 0.545 2.838) 2.925 2.663 ( 3.961 7.402 -0.226) 8.398 2.690 ( 5.232 1.417 2.564) 5.997 2.773 ( 2.546 2.294 3.484) 4.887 2.870 ( 2.695 1.783 -4.603) 5.624 2.898 ( 0.942 5.194 -6.063) 8.039 2.945 ( 2.586 0.708 0.837) 2.809 2.956 ( 3.483 -2.804 -1.253) 4.643 3.031 ( 1.447 -2.823 -2.206) 3.864 3.073 ( 2.787 -4.190 -0.259) 5.039 3.117 ( 0.468 -2.909 -1.657) 3.380 3.172 ( 0.942 -2.041 2.949) 3.708 3.196 ( 5.639 -4.642 1.895) 7.546 3.339 ( -4.469 1.901 0.195) 4.861 3.406 ( -1.267 -4.617 0.048) 4.788 3.699 ( -6.964 6.359 -0.382) 9.438 3.740 ( -3.293 3.658 -0.394) 4.938 3.946 ( -2.409 2.724 -0.656) 3.695 4.003 ( -14.803 10.099 1.015) 17.948 4.030 ( -0.659 -5.135 0.678) 5.222 4.140 ( 4.899 1.637 -1.727) 5.446 4.166 ( 0.254 -0.247 1.996) 2.027 4.210 ( 0.867 -2.242 1.016) 2.609 4.274 ( 0.861 3.549 1.365) 3.899 4.382 ( -1.285 1.371 -0.311) 1.905 4.427 ( -0.108 2.851 -2.968) 4.117 4.499 ( -11.801 -13.233 -1.843) 17.826 4.581 ( 4.980 -5.577 -2.778) 7.977 4.620 ( 2.567 -9.443 2.247) 10.041 4.907 ( -1.271 5.365 2.087) 5.896 5.000 ( -4.850 0.355 -0.337) 4.875 5.057 ( -5.271 -4.000 1.725) 6.838 5.074 ( -3.368 -3.919 0.768) 5.224 5.325 ( 1.679 7.080 0.073) 7.277 5.388 ( 6.241 1.957 -4.109) 7.724 5.460 ( 5.199 -1.503 -3.176) 6.275 5.514 ( -4.755 -7.825 0.476) 9.168 5.780 ( 0.312 7.224 1.326) 7.351 5.891 ( -1.640 -2.657 1.371) 3.410 6.045 ( 4.742 9.851 2.716) 11.265 6.150 ( 3.449 0.025 1.973) 3.974 6.219 ( 0.987 2.920 0.609) 3.142 6.284 ( 1.919 -4.386 0.448) 4.808 6.418 ( 3.066 8.599 -0.011) 9.129 6.454 ( 4.320 -0.937 -3.689) 5.758 6.551 ( -0.257 -3.983 0.980) 4.110 6.606 ( 3.693 -6.390 -3.157) 8.027 6.852 ( -2.058 6.800 0.550) 7.126 6.928 ( -1.143 0.789 -2.617) 2.962 6.967 ( -0.226 1.249 -0.612) 1.409 7.058 ( -3.434 -5.856 3.483) 7.630 7.130 ( -2.677 3.418 1.227) 4.512 7.224 ( -0.771 -4.930 -2.137) 5.428 7.428 ( -1.308 5.720 -0.643) 5.903 7.498 ( -1.087 1.928 0.088) 2.215 7.578 ( 6.152 -1.885 1.181) 6.541 7.625 ( 2.156 -2.473 -1.368) 3.554 7.837 ( 3.167 0.341 3.392) 4.653 7.895 ( 3.448 -3.677 0.826) 5.108 8.000 ( 0.626 1.709 0.420) 1.868 8.031 ( 0.939 -0.546 -1.204) 1.621 8.200 ( -1.701 3.308 1.557) 4.032 8.298 ( 0.896 -4.137 1.796) 4.598 8.359 ( -3.274 -0.463 -0.134) 3.309 8.393 ( -2.673 -3.569 0.428) 4.480 8.508 ( -3.384 0.574 -0.917) 3.553 8.560 ( -4.953 -4.417 -0.451) 6.652 8.861 ( 1.738 2.105 -0.644) 2.805 8.906 ( 1.951 -2.232 -3.910) 4.907 9.094 ( 2.724 2.316 -1.471) 3.867 9.163 ( -1.304 -4.248 0.344) 4.457 9.510 ( -1.357 2.673 2.045) 3.629 9.542 ( -1.543 -0.177 0.710) 1.708 9.768 ( -1.474 3.026 -0.110) 3.368 9.786 ( -0.905 1.684 -0.228) 1.925 9.839 ( 1.290 0.953 0.224) 1.619 9.907 ( -1.332 -4.231 0.173) 4.439 12.946 ( 0.455 2.602 -0.295) 2.658 12.997 ( -1.938 -2.395 -0.346) 3.100 13.125 ( -1.372 1.281 -0.353) 1.910 13.154 ( -2.796 -1.466 0.180) 3.162 13.696 ( -0.742 0.505 0.393) 0.980 13.709 ( -0.468 -0.797 -0.102) 0.930 13.918 ( -2.855 5.592 -0.085) 6.279 14.034 ( -3.001 -5.033 -0.017) 5.860 14.068 ( 0.342 4.040 0.109) 4.056 14.172 ( 0.158 -2.999 0.412) 3.032 14.185 ( 0.071 -1.525 0.114) 1.531 14.202 ( 0.379 -3.340 0.193) 3.367 14.497 ( 3.164 3.579 1.990) 5.175 14.557 ( 5.284 -1.147 1.992) 5.763 14.642 ( 3.367 2.244 -1.473) 4.306 14.676 ( 2.493 -1.176 -1.683) 3.230 14.906 ( 1.119 2.242 0.049) 2.506 14.955 ( 0.766 -1.924 -2.428) 3.192 15.007 ( 4.259 -0.906 -0.304) 4.365 15.041 ( 2.035 -3.470 -0.952) 4.134 15.293 ( -1.650 5.625 2.700) 6.454 15.380 ( -0.389 -2.278 1.046) 2.536 15.534 ( -0.903 8.039 -0.235) 8.092 15.667 ( -1.033 -3.512 -1.341) 3.898 15.860 ( 4.589 6.773 -1.346) 8.291 15.975 ( 5.593 -0.329 0.778) 5.657 16.056 ( 0.369 1.132 2.087) 2.403 16.077 ( 3.028 -3.048 -0.393) 4.314 16.636 ( 1.819 10.355 -1.713) 10.652 16.866 ( -5.706 -10.911 -0.735) 12.335 16.966 ( -1.512 2.242 2.306) 3.554 17.095 ( -6.382 -9.358 0.268) 11.331 21.241 ( 0.371 7.381 0.292) 7.396 21.347 ( 2.881 5.905 0.985) 6.644 21.388 ( 1.891 -6.310 -0.042) 6.588 21.436 ( 2.450 -3.145 0.731) 4.053 21.634 ( -1.976 4.270 0.081) 4.706 21.708 ( -4.000 -2.047 0.146) 4.496 21.866 ( -6.032 3.847 -0.096) 7.155 21.932 ( -6.124 -2.263 -3.351) 7.338 22.390 ( 1.168 2.777 1.241) 3.258 22.428 ( 0.447 -0.770 0.541) 1.042 22.546 ( -2.286 1.261 -0.238) 2.622 22.572 ( -3.146 -1.006 -2.851) 4.363 22.818 ( 0.046 4.666 0.478) 4.690 22.894 ( 0.429 -2.007 1.130) 2.343 23.162 ( -0.093 -0.167 -0.603) 0.633 23.214 ( -2.834 -4.490 -0.577) 5.340 24.023 ( 8.655 0.473 1.527) 8.802 24.072 ( 9.853 -4.605 1.783) 11.021 24.236 ( 0.622 1.417 -2.706) 3.117 24.270 ( 1.521 -1.704 -3.077) 3.832 24.438 ( -5.534 1.516 -0.182) 5.741 24.473 ( -4.317 -1.717 1.991) 5.054 24.545 ( -0.612 1.507 0.534) 1.712 24.572 ( -0.369 -1.071 0.144) 1.142 24.698 ( 0.180 1.698 -0.375) 1.748 24.721 ( 1.260 -0.239 -0.163) 1.293 24.850 ( -4.668 1.210 0.590) 4.859 24.882 ( -4.732 -1.750 1.040) 5.152 25.423 ( 1.558 0.681 -0.113) 1.704 25.440 ( 1.453 -0.955 -0.677) 1.865 25.654 ( 5.473 1.867 0.003) 5.782 25.708 ( 3.573 -3.647 0.620) 5.143 ======================= Grid point 17 (12/48) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( -0.000 6.961 0.000) 6.961 1.343 ( 0.000 6.556 -0.000) 6.556 1.747 ( -0.000 -0.783 0.000) 0.783 1.758 ( 0.000 -1.961 -0.000) 1.961 1.822 ( -0.000 0.576 -0.000) 0.576 1.844 ( 0.000 1.471 0.000) 1.471 1.913 ( 0.000 7.280 -0.000) 7.280 1.943 ( 0.000 8.829 -0.000) 8.829 2.034 ( -0.000 0.830 0.000) 0.830 2.040 ( 0.000 0.640 -0.000) 0.640 2.117 ( -0.000 -3.359 0.000) 3.359 2.153 ( 0.000 -2.799 0.000) 2.799 2.189 ( 0.000 -7.432 0.000) 7.432 2.229 ( 0.000 -8.130 -0.000) 8.130 2.358 ( 0.000 -0.370 -0.000) 0.370 2.407 ( -0.000 -4.749 0.000) 4.749 2.705 ( -0.000 -0.684 -0.000) 0.684 2.728 ( 0.000 -1.320 0.000) 1.320 2.876 ( 0.000 5.304 -0.000) 5.304 2.894 ( -0.000 2.882 0.000) 2.882 2.959 ( 0.000 1.480 -0.000) 1.480 2.960 ( -0.000 3.203 0.000) 3.203 3.026 ( -0.000 -0.806 -0.000) 0.806 3.028 ( 0.000 -2.666 0.000) 2.666 3.105 ( 0.000 0.880 0.000) 0.880 3.145 ( 0.000 -1.617 0.000) 1.617 3.214 ( 0.000 -1.102 -0.000) 1.102 3.217 ( -0.000 -0.201 0.000) 0.201 3.385 ( -0.000 9.106 0.000) 9.106 3.391 ( 0.000 7.934 -0.000) 7.934 3.578 ( 0.000 8.942 0.000) 8.942 3.613 ( 0.000 7.678 -0.000) 7.678 3.865 ( 0.000 -1.680 -0.000) 1.680 3.902 ( -0.000 -4.478 -0.000) 4.478 4.043 ( 0.000 -9.039 0.000) 9.039 4.055 ( -0.000 -8.673 -0.000) 8.673 4.239 ( 0.000 2.348 0.000) 2.348 4.260 ( 0.000 -0.114 -0.000) 0.114 4.322 ( 0.000 -3.585 0.000) 3.585 4.325 ( -0.000 -3.604 -0.000) 3.604 4.375 ( 0.000 5.436 0.000) 5.436 4.436 ( 0.000 -0.237 0.000) 0.237 4.633 ( 0.000 -3.397 0.000) 3.397 4.652 ( 0.000 -6.306 0.000) 6.306 4.918 ( -0.000 0.846 -0.000) 0.846 4.925 ( 0.000 4.921 0.000) 4.921 5.002 ( 0.000 -4.461 -0.000) 4.461 5.043 ( 0.000 -4.871 -0.000) 4.871 5.334 ( 0.000 2.424 -0.000) 2.424 5.409 ( 0.000 1.400 -0.000) 1.400 5.506 ( 0.000 -5.692 0.000) 5.692 5.540 ( 0.000 -2.380 -0.000) 2.380 5.779 ( 0.000 5.879 0.000) 5.879 5.868 ( 0.000 -2.239 -0.000) 2.239 6.085 ( 0.000 10.053 0.000) 10.053 6.169 ( 0.000 3.720 -0.000) 3.720 6.228 ( 0.000 2.553 -0.000) 2.553 6.298 ( 0.000 -4.499 0.000) 4.499 6.464 ( 0.000 3.428 -0.000) 3.428 6.503 ( 0.000 -2.364 -0.000) 2.364 6.607 ( 0.000 -0.661 -0.000) 0.661 6.617 ( -0.000 -0.116 0.000) 0.116 6.816 ( 0.000 2.516 -0.000) 2.516 6.910 ( 0.000 -1.834 -0.000) 1.834 6.972 ( 0.000 1.367 0.000) 1.367 7.014 ( 0.000 -4.645 0.000) 4.645 7.104 ( 0.000 4.186 0.000) 4.186 7.207 ( 0.000 -3.410 0.000) 3.410 7.416 ( 0.000 5.255 -0.000) 5.255 7.486 ( 0.000 -0.123 -0.000) 0.123 7.645 ( 0.000 1.158 -0.000) 1.158 7.653 ( 0.000 -1.314 0.000) 1.314 7.856 ( 0.000 2.051 0.000) 2.051 7.921 ( 0.000 -3.739 0.000) 3.739 8.013 ( 0.000 1.474 -0.000) 1.474 8.054 ( 0.000 -3.160 0.000) 3.160 8.182 ( 0.000 5.337 0.000) 5.337 8.322 ( 0.000 -1.378 -0.000) 1.378 8.323 ( 0.000 -1.458 0.000) 1.458 8.358 ( 0.000 -7.496 -0.000) 7.496 8.483 ( 0.000 -1.533 0.000) 1.533 8.485 ( -0.000 -4.193 -0.000) 4.193 8.869 ( 0.000 4.105 -0.000) 4.105 8.928 ( 0.000 -1.478 -0.000) 1.478 9.140 ( 0.000 -0.704 0.000) 0.704 9.151 ( 0.000 -2.278 -0.000) 2.278 9.498 ( 0.000 1.108 0.000) 1.108 9.512 ( 0.000 -0.531 0.000) 0.531 9.756 ( 0.000 4.924 0.000) 4.924 9.777 ( 0.000 2.117 -0.000) 2.117 9.860 ( 0.000 -1.200 -0.000) 1.200 9.888 ( 0.000 -3.355 -0.000) 3.355 12.959 ( 0.000 0.438 -0.000) 0.438 12.969 ( -0.000 -0.577 0.000) 0.577 13.111 ( 0.000 0.604 0.000) 0.604 13.124 ( 0.000 -0.596 -0.000) 0.596 13.689 ( 0.000 0.675 0.000) 0.675 13.705 ( 0.000 -0.854 0.000) 0.854 13.889 ( 0.000 5.503 -0.000) 5.503 14.002 ( 0.000 -5.206 -0.000) 5.206 14.072 ( 0.000 4.406 0.000) 4.406 14.176 ( 0.000 -4.159 -0.000) 4.159 14.185 ( 0.000 0.052 -0.000) 0.052 14.208 ( 0.000 -4.153 -0.000) 4.153 14.528 ( 0.000 4.284 0.000) 4.284 14.609 ( 0.000 -2.260 -0.000) 2.260 14.676 ( 0.000 2.738 0.000) 2.738 14.694 ( 0.000 -0.052 -0.000) 0.052 14.922 ( 0.000 0.810 -0.000) 0.810 14.956 ( 0.000 -2.648 -0.000) 2.648 15.058 ( 0.000 -1.654 -0.000) 1.654 15.080 ( 0.000 -3.449 0.000) 3.449 15.267 ( 0.000 8.094 -0.000) 8.094 15.373 ( 0.000 -2.619 0.000) 2.619 15.523 ( 0.000 7.184 0.000) 7.184 15.644 ( 0.000 -4.063 -0.000) 4.063 15.938 ( 0.000 9.641 -0.000) 9.641 15.997 ( 0.000 5.811 0.000) 5.811 16.064 ( 0.000 1.823 0.000) 1.823 16.117 ( 0.000 -4.165 0.000) 4.165 16.674 ( 0.000 2.882 0.000) 2.882 16.786 ( 0.000 -6.209 -0.000) 6.209 16.977 ( -0.000 -4.939 -0.000) 4.939 17.002 ( 0.000 -6.273 0.000) 6.273 21.244 ( 0.000 7.613 0.000) 7.613 21.386 ( 0.000 7.641 0.000) 7.641 21.398 ( 0.000 -6.990 -0.000) 6.990 21.481 ( 0.000 -1.934 0.000) 1.934 21.600 ( 0.000 3.208 0.000) 3.208 21.661 ( 0.000 -2.506 -0.000) 2.506 21.806 ( 0.000 3.386 -0.000) 3.386 21.872 ( 0.000 -2.972 0.000) 2.972 22.404 ( 0.000 2.710 0.000) 2.710 22.431 ( 0.000 -0.056 -0.000) 0.056 22.526 ( 0.000 0.319 0.000) 0.319 22.537 ( 0.000 -0.705 -0.000) 0.705 22.819 ( 0.000 4.707 0.000) 4.707 22.899 ( 0.000 -2.336 -0.000) 2.336 23.168 ( 0.000 -2.106 0.000) 2.106 23.181 ( 0.000 -2.802 0.000) 2.802 24.124 ( 0.000 2.565 -0.000) 2.565 24.194 ( 0.000 -3.713 -0.000) 3.713 24.264 ( -0.000 -0.764 0.000) 0.764 24.286 ( 0.000 -2.108 0.000) 2.108 24.353 ( 0.000 1.264 -0.000) 1.264 24.388 ( 0.000 -1.905 0.000) 1.905 24.548 ( 0.000 1.143 -0.000) 1.143 24.563 ( -0.000 -0.263 0.000) 0.263 24.702 ( 0.000 2.551 -0.000) 2.551 24.734 ( 0.000 0.163 0.000) 0.163 24.814 ( -0.000 -0.931 0.000) 0.931 24.826 ( 0.000 -1.354 -0.000) 1.354 25.439 ( 0.000 0.603 -0.000) 0.603 25.455 ( 0.000 -0.849 0.000) 0.849 25.720 ( 0.000 -0.069 -0.000) 0.069 25.729 ( 0.000 -1.001 -0.000) 1.001 ======================= Grid point 35 (13/48) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.347 ( -5.203 0.000 16.811) 17.598 0.508 ( -4.362 0.000 23.816) 24.212 0.834 ( 3.758 0.000 36.972) 37.162 1.496 ( 2.144 0.000 -13.985) 14.148 1.534 ( -0.619 0.000 8.162) 8.186 1.734 ( -0.565 0.000 0.264) 0.624 1.903 ( 0.029 0.000 -1.580) 1.581 1.952 ( 2.439 0.000 -2.298) 3.351 1.956 ( -1.140 0.000 16.883) 16.922 1.992 ( 0.950 0.000 2.017) 2.229 2.220 ( 0.927 0.000 0.009) 0.927 2.221 ( 0.157 0.000 0.419) 0.447 2.372 ( -1.045 0.000 -12.673) 12.716 2.553 ( -0.590 0.000 -2.431) 2.502 2.555 ( 2.433 0.000 0.362) 2.460 2.575 ( -0.436 0.000 -4.084) 4.107 2.726 ( -3.949 0.000 -2.012) 4.432 2.733 ( 5.233 0.000 -5.608) 7.670 2.783 ( -0.603 0.000 -9.360) 9.379 2.924 ( 3.069 0.000 -5.875) 6.628 2.963 ( -2.963 0.000 -1.460) 3.303 2.979 ( 0.319 0.000 -2.716) 2.735 2.981 ( 5.557 0.000 -0.304) 5.565 3.003 ( -1.768 0.000 -0.087) 1.770 3.087 ( -4.685 0.000 8.287) 9.520 3.153 ( 1.054 0.000 -2.169) 2.412 3.184 ( -5.076 0.000 -6.317) 8.104 3.434 ( -1.459 0.000 -2.733) 3.098 3.466 ( 0.975 0.000 8.849) 8.903 3.574 ( 1.086 0.000 7.798) 7.874 3.711 ( -0.599 0.000 2.724) 2.789 3.732 ( -2.646 0.000 8.739) 9.131 3.826 ( -0.608 0.000 1.102) 1.258 3.855 ( 1.163 0.000 -5.338) 5.463 3.958 ( 1.193 0.000 14.998) 15.046 4.037 ( 3.552 0.000 8.608) 9.311 4.053 ( 0.806 0.000 0.442) 0.919 4.317 ( -2.236 0.000 -11.592) 11.805 4.327 ( -1.557 0.000 8.602) 8.742 4.509 ( -0.811 0.000 -0.439) 0.922 4.549 ( 1.776 0.000 -2.655) 3.194 4.794 ( 1.061 0.000 -6.788) 6.870 4.884 ( -0.844 0.000 3.181) 3.292 4.895 ( -1.983 0.000 -2.463) 3.162 4.946 ( -0.608 0.000 0.423) 0.741 5.024 ( 0.114 0.000 3.886) 3.888 5.127 ( -3.541 0.000 -2.689) 4.446 5.167 ( 5.286 0.000 -1.965) 5.639 5.224 ( 7.250 0.000 -0.224) 7.253 5.335 ( -0.824 0.000 4.983) 5.051 5.392 ( 3.380 0.000 -0.853) 3.486 5.512 ( -1.415 0.000 1.272) 1.903 5.679 ( -2.591 0.000 0.547) 2.648 5.766 ( -4.296 0.000 -5.986) 7.368 5.897 ( 2.583 0.000 0.459) 2.623 5.976 ( 3.569 0.000 -4.863) 6.033 6.007 ( -9.987 0.000 5.499) 11.401 6.238 ( 1.430 0.000 -9.334) 9.443 6.298 ( 5.322 0.000 3.113) 6.165 6.361 ( -3.577 0.000 -3.313) 4.875 6.437 ( -1.354 0.000 3.587) 3.834 6.773 ( -0.979 0.000 -4.114) 4.229 6.777 ( -0.955 0.000 0.371) 1.024 6.883 ( -3.921 0.000 -5.205) 6.517 7.117 ( 0.384 0.000 -2.167) 2.200 7.141 ( 5.905 0.000 -4.516) 7.434 7.199 ( -0.953 0.000 4.148) 4.256 7.319 ( -3.091 0.000 -0.751) 3.181 7.355 ( -1.742 0.000 5.611) 5.875 7.472 ( 13.654 0.000 2.647) 13.909 7.498 ( 5.936 0.000 -3.182) 6.735 7.574 ( 2.876 0.000 -2.023) 3.516 7.727 ( -0.679 0.000 0.447) 0.813 7.832 ( 2.239 0.000 -3.441) 4.105 7.920 ( 0.351 0.000 4.948) 4.960 7.966 ( -4.607 0.000 -0.723) 4.664 8.201 ( -0.926 0.000 -3.258) 3.387 8.202 ( 5.663 0.000 -9.602) 11.147 8.385 ( -5.139 0.000 1.912) 5.483 8.465 ( 0.704 0.000 -1.242) 1.428 8.680 ( 5.392 0.000 0.106) 5.393 8.682 ( -8.595 0.000 7.743) 11.569 8.832 ( -9.996 0.000 1.276) 10.077 8.892 ( -2.062 0.000 -6.671) 6.982 9.162 ( -1.710 0.000 0.317) 1.739 9.190 ( -0.331 0.000 5.608) 5.618 9.321 ( -0.901 0.000 1.011) 1.354 9.417 ( 6.487 0.000 -6.947) 9.505 9.716 ( -1.338 0.000 5.846) 5.997 9.760 ( -0.451 0.000 2.389) 2.432 10.005 ( 1.069 0.000 0.892) 1.392 10.063 ( -0.055 0.000 -0.631) 0.633 12.986 ( -0.168 0.000 0.147) 0.224 13.082 ( -0.117 0.000 -1.855) 1.859 13.179 ( -1.186 0.000 1.267) 1.736 13.276 ( 0.911 0.000 -1.461) 1.722 13.780 ( 0.556 0.000 3.810) 3.850 13.935 ( -1.975 0.000 2.629) 3.289 13.950 ( -0.825 0.000 -0.919) 1.235 14.155 ( 3.118 0.000 -1.839) 3.620 14.159 ( 2.130 0.000 0.817) 2.281 14.225 ( -3.579 0.000 2.425) 4.323 14.250 ( 2.523 0.000 0.161) 2.528 14.354 ( -0.011 0.000 -1.944) 1.944 14.369 ( 0.254 0.000 0.081) 0.266 14.439 ( -1.779 0.000 -5.219) 5.514 14.441 ( -0.862 0.000 0.994) 1.316 14.771 ( 9.972 0.000 -6.209) 11.747 14.862 ( -8.412 0.000 9.876) 12.973 14.875 ( 5.706 0.000 -0.095) 5.707 15.049 ( -8.783 0.000 2.162) 9.045 15.064 ( -4.578 0.000 3.404) 5.705 15.215 ( -17.631 0.000 -1.460) 17.691 15.393 ( 2.200 0.000 5.124) 5.576 15.437 ( 0.542 0.000 1.139) 1.262 15.695 ( 8.148 0.000 -8.492) 11.769 15.737 ( 6.954 0.000 -0.633) 6.983 15.847 ( 19.669 0.000 2.808) 19.868 15.910 ( -11.586 0.000 -1.534) 11.687 16.099 ( 2.695 0.000 2.161) 3.454 16.121 ( -0.092 0.000 1.002) 1.006 16.168 ( -0.073 0.000 -4.268) 4.269 17.362 ( 1.095 0.000 3.037) 3.229 17.685 ( -0.001 0.000 -3.907) 3.907 21.039 ( 0.131 0.000 -0.124) 0.180 21.060 ( -0.087 0.000 -0.543) 0.550 21.386 ( -0.256 0.000 3.144) 3.155 21.493 ( 0.202 0.000 0.440) 0.484 21.497 ( 0.449 0.000 0.039) 0.451 21.614 ( 2.251 0.000 -0.409) 2.287 22.050 ( 0.036 0.000 3.150) 3.150 22.270 ( 0.023 0.000 1.718) 1.719 22.272 ( -7.400 0.000 -0.381) 7.410 22.400 ( 0.153 0.000 -2.907) 2.911 22.564 ( -0.008 0.000 -0.608) 0.608 22.721 ( 0.982 0.000 -2.637) 2.814 22.790 ( -0.567 0.000 -0.300) 0.641 23.147 ( -0.054 0.000 -4.449) 4.449 23.152 ( -22.468 0.000 5.113) 23.043 23.457 ( -0.379 0.000 -2.063) 2.097 23.520 ( 15.019 0.000 1.713) 15.116 23.815 ( 1.354 0.000 -7.175) 7.302 24.284 ( -0.261 0.000 4.620) 4.627 24.432 ( -4.232 0.000 -0.128) 4.234 24.453 ( -0.538 0.000 1.168) 1.286 24.526 ( 0.226 0.000 -1.019) 1.044 24.577 ( -1.995 0.000 1.753) 2.656 24.614 ( -1.025 0.000 0.237) 1.052 24.663 ( 1.445 0.000 1.071) 1.799 24.803 ( 0.315 0.000 -3.059) 3.075 25.047 ( 1.155 0.000 3.294) 3.491 25.246 ( 13.612 0.000 -1.654) 13.712 25.364 ( 0.479 0.000 -0.397) 0.622 25.388 ( -4.446 0.000 0.257) 4.453 25.414 ( -1.526 0.000 0.278) 1.551 25.423 ( -0.184 0.000 -1.556) 1.566 ======================= Grid point 36 (14/48) ======================= q-point: ( 0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.432 ( 18.693 0.000 4.437) 19.212 0.643 ( 15.823 0.000 13.869) 21.041 1.282 ( 31.928 0.000 24.188) 40.056 1.557 ( 3.510 0.000 -11.504) 12.027 1.573 ( 2.185 0.000 8.883) 9.148 1.744 ( 2.312 0.000 0.165) 2.318 1.858 ( -2.320 0.000 3.267) 4.007 1.932 ( -4.449 0.000 -3.073) 5.407 1.974 ( 2.585 0.000 -5.077) 5.697 2.048 ( 4.737 0.000 10.746) 11.744 2.225 ( -0.209 0.000 -0.161) 0.264 2.238 ( 1.083 0.000 -0.661) 1.269 2.350 ( -2.111 0.000 -8.087) 8.358 2.406 ( -15.695 0.000 -1.984) 15.820 2.447 ( -8.078 0.000 -0.051) 8.078 2.558 ( -1.875 0.000 -0.417) 1.921 2.632 ( -7.938 0.000 -4.567) 9.158 2.743 ( 0.830 0.000 -0.161) 0.846 2.773 ( -5.008 0.000 -2.314) 5.517 2.883 ( -6.496 0.000 -0.354) 6.506 2.918 ( -0.320 0.000 -6.072) 6.080 2.942 ( 2.119 0.000 -3.842) 4.388 2.976 ( -2.139 0.000 6.718) 7.051 3.039 ( -2.489 0.000 -9.641) 9.957 3.068 ( 4.349 0.000 -4.418) 6.199 3.170 ( 2.703 0.000 -2.304) 3.552 3.289 ( 10.618 0.000 0.835) 10.651 3.367 ( -4.224 0.000 -0.917) 4.323 3.472 ( 0.114 0.000 9.529) 9.529 3.613 ( -0.296 0.000 4.897) 4.905 3.671 ( -4.228 0.000 7.223) 8.370 3.699 ( -1.266 0.000 11.108) 11.180 3.832 ( 0.356 0.000 -5.844) 5.855 3.889 ( 3.363 0.000 -8.720) 9.346 3.983 ( -5.344 0.000 6.116) 8.121 4.041 ( -0.929 0.000 0.310) 0.979 4.042 ( 3.075 0.000 11.323) 11.733 4.240 ( -4.606 0.000 -2.595) 5.287 4.326 ( 1.376 0.000 6.412) 6.558 4.483 ( -5.352 0.000 0.472) 5.373 4.495 ( -0.640 0.000 -0.605) 0.881 4.784 ( -2.032 0.000 -5.963) 6.300 4.866 ( -1.993 0.000 2.086) 2.885 4.915 ( 3.095 0.000 1.778) 3.570 4.960 ( 1.903 0.000 -0.707) 2.030 5.032 ( -4.834 0.000 0.432) 4.853 5.084 ( 5.027 0.000 4.433) 6.703 5.264 ( -8.973 0.000 1.624) 9.119 5.269 ( 4.318 0.000 -1.891) 4.714 5.357 ( 5.629 0.000 -0.704) 5.673 5.371 ( 0.827 0.000 5.151) 5.217 5.503 ( 3.222 0.000 -1.420) 3.521 5.677 ( 0.935 0.000 -0.150) 0.947 5.790 ( -8.265 0.000 7.244) 10.990 5.842 ( 4.265 0.000 -7.404) 8.544 5.960 ( 4.621 0.000 3.337) 5.700 6.052 ( 2.550 0.000 -1.109) 2.781 6.256 ( -1.627 0.000 -4.234) 4.536 6.305 ( 0.084 0.000 -8.003) 8.003 6.311 ( 6.054 0.000 5.615) 8.257 6.426 ( 0.040 0.000 2.581) 2.582 6.748 ( -3.212 0.000 -5.592) 6.449 6.759 ( -0.450 0.000 -3.012) 3.046 6.832 ( -1.848 0.000 -7.504) 7.728 7.098 ( -2.620 0.000 -0.609) 2.690 7.140 ( -4.527 0.000 -0.360) 4.541 7.159 ( -2.795 0.000 4.707) 5.474 7.299 ( -4.267 0.000 4.959) 6.542 7.313 ( 2.050 0.000 -6.362) 6.684 7.615 ( 5.386 0.000 0.492) 5.408 7.650 ( 6.248 0.000 -6.159) 8.773 7.697 ( -1.904 0.000 -2.743) 3.339 7.800 ( 8.308 0.000 -6.311) 10.434 7.825 ( -9.265 0.000 2.340) 9.556 7.892 ( -2.651 0.000 7.237) 7.707 7.896 ( 4.972 0.000 -4.221) 6.522 8.256 ( 4.086 0.000 -2.608) 4.847 8.317 ( 4.227 0.000 -7.897) 8.958 8.412 ( 7.043 0.000 -3.340) 7.795 8.440 ( -3.048 0.000 -0.271) 3.060 8.605 ( 1.836 0.000 4.521) 4.880 8.703 ( -4.647 0.000 6.337) 7.859 8.807 ( 5.601 0.000 -3.721) 6.724 8.811 ( -6.189 0.000 -7.809) 9.964 9.155 ( -0.840 0.000 5.510) 5.574 9.189 ( 4.369 0.000 -1.574) 4.644 9.334 ( 2.345 0.000 1.536) 2.803 9.586 ( 7.484 0.000 -2.490) 7.888 9.693 ( -0.154 0.000 5.167) 5.170 9.733 ( -2.155 0.000 2.184) 3.068 9.951 ( -5.350 0.000 3.453) 6.367 10.040 ( -2.160 0.000 -0.898) 2.339 12.938 ( -2.824 0.000 4.608) 5.404 13.075 ( -0.457 0.000 -1.756) 1.815 13.125 ( -3.521 0.000 0.207) 3.527 13.256 ( -2.785 0.000 -0.743) 2.882 13.770 ( -1.664 0.000 4.223) 4.539 13.881 ( -5.859 0.000 6.003) 8.389 13.882 ( -3.134 0.000 1.205) 3.358 14.081 ( -5.257 0.000 -0.459) 5.277 14.117 ( -2.164 0.000 0.588) 2.243 14.189 ( -4.588 0.000 -0.620) 4.630 14.276 ( 4.404 0.000 -0.003) 4.404 14.386 ( -0.889 0.000 1.748) 1.962 14.393 ( 2.113 0.000 -0.145) 2.118 14.416 ( 2.173 0.000 2.292) 3.159 14.474 ( 3.796 0.000 1.447) 4.063 14.682 ( 0.572 0.000 7.583) 7.605 14.893 ( 5.097 0.000 -3.609) 6.245 14.925 ( -1.209 0.000 -4.563) 4.720 14.928 ( -1.281 0.000 5.028) 5.189 15.065 ( 5.916 0.000 -1.153) 6.027 15.197 ( 3.815 0.000 1.880) 4.253 15.404 ( -3.733 0.000 1.551) 4.043 15.415 ( 0.978 0.000 6.748) 6.818 15.688 ( -9.210 0.000 -4.737) 10.357 15.697 ( -3.688 0.000 -1.177) 3.871 15.845 ( 4.131 0.000 -2.100) 4.634 16.089 ( -3.524 0.000 1.613) 3.875 16.138 ( 0.713 0.000 -5.721) 5.766 16.236 ( 8.735 0.000 0.870) 8.778 16.586 ( 30.791 0.000 -21.316) 37.449 17.317 ( -5.780 0.000 3.591) 6.805 17.562 ( -10.602 0.000 -1.881) 10.767 21.048 ( 0.717 0.000 -0.097) 0.724 21.062 ( 0.289 0.000 -0.605) 0.670 21.409 ( 2.356 0.000 2.834) 3.686 21.495 ( -0.725 0.000 0.173) 0.745 21.504 ( 1.172 0.000 0.512) 1.279 21.680 ( 3.580 0.000 0.108) 3.581 21.996 ( -5.263 0.000 3.497) 6.319 22.032 ( -10.952 0.000 5.440) 12.229 22.287 ( 1.405 0.000 1.596) 2.126 22.413 ( 0.545 0.000 -1.621) 1.710 22.546 ( -1.747 0.000 -0.629) 1.857 22.639 ( -6.696 0.000 1.884) 6.956 22.776 ( -0.729 0.000 4.314) 4.375 22.891 ( 0.119 0.000 4.164) 4.166 23.154 ( 0.833 0.000 -4.707) 4.781 23.387 ( -5.192 0.000 -2.986) 5.990 23.888 ( 14.978 0.000 -8.899) 17.422 23.918 ( 7.718 0.000 -5.129) 9.267 24.272 ( -0.941 0.000 5.127) 5.213 24.346 ( -3.358 0.000 3.019) 4.516 24.442 ( -0.587 0.000 0.343) 0.680 24.510 ( -3.861 0.000 -0.369) 3.878 24.550 ( 0.625 0.000 -0.275) 0.683 24.594 ( -1.504 0.000 -1.732) 2.293 24.689 ( 1.224 0.000 2.301) 2.607 24.798 ( -0.247 0.000 -1.630) 1.648 24.995 ( -12.403 0.000 7.545) 14.518 25.029 ( -2.808 0.000 2.514) 3.769 25.395 ( 2.742 0.000 0.380) 2.769 25.416 ( 1.259 0.000 0.140) 1.267 25.467 ( 4.601 0.000 -2.228) 5.112 25.731 ( 10.673 0.000 -11.151) 15.436 ======================= Grid point 37 (15/48) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( 23.309 0.000 -1.381) 23.350 1.006 ( 20.230 0.000 1.991) 20.328 1.446 ( -11.731 0.000 7.787) 14.080 1.592 ( 0.519 0.000 -13.819) 13.829 1.761 ( 7.860 0.000 6.010) 9.895 1.800 ( -7.928 0.000 -4.471) 9.102 1.849 ( 7.863 0.000 4.410) 9.015 2.029 ( -1.174 0.000 -1.665) 2.037 2.053 ( -18.744 0.000 1.521) 18.806 2.076 ( 6.153 0.000 3.855) 7.261 2.107 ( 24.410 0.000 0.676) 24.420 2.214 ( -0.239 0.000 -7.543) 7.547 2.252 ( 2.506 0.000 -2.179) 3.321 2.285 ( -0.611 0.000 1.837) 1.936 2.339 ( -13.421 0.000 -0.826) 13.447 2.432 ( 0.883 0.000 -3.090) 3.214 2.583 ( -11.487 0.000 2.002) 11.660 2.658 ( 3.710 0.000 -3.590) 5.163 2.682 ( -2.245 0.000 0.152) 2.251 2.853 ( 2.755 0.000 -0.557) 2.811 2.913 ( -0.497 0.000 -2.818) 2.861 2.969 ( -1.626 0.000 0.800) 1.812 3.026 ( 2.150 0.000 -4.461) 4.953 3.032 ( 4.184 0.000 -2.449) 4.848 3.094 ( -1.436 0.000 -3.799) 4.061 3.224 ( 3.407 0.000 -1.465) 3.708 3.284 ( -2.618 0.000 8.190) 8.598 3.430 ( 1.236 0.000 2.799) 3.060 3.447 ( -16.454 0.000 1.577) 16.530 3.501 ( -0.860 0.000 7.452) 7.502 3.553 ( -5.701 0.000 9.875) 11.403 3.689 ( 2.227 0.000 8.220) 8.516 3.825 ( -0.428 0.000 -10.791) 10.799 3.833 ( -16.373 0.000 7.418) 17.975 3.977 ( 4.874 0.000 -8.086) 9.441 4.014 ( 6.465 0.000 3.815) 7.507 4.054 ( 1.646 0.000 -1.418) 2.172 4.354 ( 9.750 0.000 6.858) 11.920 4.369 ( 2.790 0.000 5.817) 6.451 4.392 ( -2.409 0.000 2.606) 3.549 4.481 ( -0.897 0.000 1.415) 1.675 4.730 ( -2.910 0.000 -0.631) 2.978 4.802 ( -4.716 0.000 2.653) 5.411 4.867 ( -11.482 0.000 -1.252) 11.550 4.959 ( 1.437 0.000 -3.360) 3.654 5.040 ( 3.690 0.000 -1.908) 4.154 5.130 ( -2.253 0.000 3.886) 4.491 5.158 ( 2.264 0.000 2.902) 3.681 5.360 ( 5.787 0.000 -2.952) 6.496 5.382 ( -2.539 0.000 1.345) 2.873 5.499 ( -1.348 0.000 3.469) 3.721 5.548 ( 11.158 0.000 -0.925) 11.196 5.667 ( -1.484 0.000 -5.079) 5.291 5.689 ( -2.872 0.000 7.413) 7.950 5.904 ( 2.128 0.000 -5.054) 5.483 6.050 ( 1.263 0.000 5.246) 5.396 6.084 ( 1.765 0.000 0.531) 1.843 6.205 ( 0.310 0.000 -2.353) 2.373 6.354 ( 3.072 0.000 -5.567) 6.358 6.440 ( 2.014 0.000 -0.914) 2.212 6.522 ( 11.543 0.000 -0.241) 11.546 6.667 ( -3.524 0.000 -3.627) 5.057 6.769 ( 1.235 0.000 -2.130) 2.462 6.824 ( 1.137 0.000 -7.282) 7.370 7.012 ( -5.849 0.000 0.082) 5.850 7.047 ( -4.684 0.000 -3.146) 5.642 7.107 ( -2.656 0.000 5.185) 5.825 7.214 ( -3.985 0.000 3.370) 5.219 7.336 ( 0.081 0.000 -5.127) 5.128 7.613 ( -3.384 0.000 1.842) 3.853 7.640 ( -7.765 0.000 3.722) 8.611 7.730 ( 2.974 0.000 -3.403) 4.519 7.767 ( 4.626 0.000 -8.977) 10.099 7.837 ( -2.923 0.000 6.962) 7.550 7.865 ( 0.811 0.000 -8.806) 8.843 8.038 ( 7.934 0.000 -2.949) 8.465 8.324 ( 3.259 0.000 -0.994) 3.407 8.334 ( -0.964 0.000 -1.727) 1.978 8.401 ( -1.283 0.000 -0.028) 1.283 8.507 ( 2.265 0.000 -3.679) 4.320 8.605 ( -5.717 0.000 6.021) 8.303 8.676 ( -0.401 0.000 -0.455) 0.607 8.729 ( 3.169 0.000 -4.883) 5.822 8.862 ( 1.429 0.000 -1.904) 2.381 9.165 ( 1.302 0.000 4.097) 4.299 9.269 ( 2.550 0.000 -1.503) 2.960 9.426 ( 7.234 0.000 2.304) 7.592 9.581 ( -4.665 0.000 6.182) 7.745 9.687 ( -2.576 0.000 2.679) 3.717 9.790 ( 6.821 0.000 -2.089) 7.133 9.838 ( -6.147 0.000 4.509) 7.624 9.990 ( -2.849 0.000 -1.268) 3.118 12.929 ( 1.736 0.000 3.849) 4.222 13.055 ( -3.761 0.000 0.017) 3.761 13.070 ( 0.143 0.000 -1.479) 1.486 13.188 ( -3.835 0.000 -0.416) 3.857 13.733 ( -1.753 0.000 4.141) 4.497 13.799 ( -2.628 0.000 6.113) 6.654 13.823 ( -2.601 0.000 1.122) 2.832 14.020 ( -2.175 0.000 -2.009) 2.961 14.112 ( 0.977 0.000 -1.529) 1.814 14.114 ( -2.979 0.000 -2.058) 3.620 14.339 ( 2.124 0.000 -0.227) 2.136 14.366 ( -0.731 0.000 2.586) 2.687 14.442 ( 2.673 0.000 -1.286) 2.967 14.450 ( 0.838 0.000 0.501) 0.976 14.562 ( 4.626 0.000 2.290) 5.162 14.756 ( 4.161 0.000 3.197) 5.247 14.897 ( -0.427 0.000 -3.250) 3.278 14.911 ( 0.360 0.000 4.462) 4.476 15.018 ( 6.155 0.000 -2.349) 6.588 15.203 ( 7.245 0.000 -1.212) 7.346 15.283 ( 4.814 0.000 1.042) 4.925 15.290 ( -8.200 0.000 2.235) 8.499 15.430 ( -0.085 0.000 7.934) 7.935 15.544 ( -5.427 0.000 -3.457) 6.435 15.632 ( -1.962 0.000 -4.502) 4.911 15.882 ( 0.753 0.000 -2.112) 2.242 15.996 ( -5.867 0.000 3.383) 6.772 16.138 ( -0.440 0.000 -3.113) 3.144 16.475 ( 14.936 0.000 -0.813) 14.958 16.988 ( 15.060 0.000 -12.021) 19.270 17.151 ( -11.270 0.000 3.323) 11.749 17.344 ( -11.945 0.000 -3.691) 12.502 21.061 ( 0.593 0.000 -0.167) 0.616 21.069 ( 0.426 0.000 -0.635) 0.765 21.449 ( 1.132 0.000 1.773) 2.104 21.476 ( -1.031 0.000 0.450) 1.125 21.560 ( 5.147 0.000 1.272) 5.302 21.731 ( 1.395 0.000 3.278) 3.563 21.869 ( -7.675 0.000 3.688) 8.515 21.926 ( -1.257 0.000 -0.107) 1.262 22.313 ( 1.053 0.000 1.245) 1.631 22.418 ( 0.129 0.000 -1.108) 1.116 22.509 ( -1.739 0.000 -0.608) 1.843 22.565 ( -1.673 0.000 2.050) 2.646 22.764 ( -0.555 0.000 2.260) 2.327 22.921 ( 1.377 0.000 1.265) 1.869 23.176 ( 1.582 0.000 -4.853) 5.104 23.296 ( -4.103 0.000 -3.607) 5.463 24.056 ( 5.925 0.000 -1.657) 6.153 24.112 ( 9.880 0.000 -7.230) 12.242 24.259 ( -0.215 0.000 4.097) 4.102 24.307 ( -1.752 0.000 1.695) 2.437 24.427 ( -3.698 0.000 -0.720) 3.767 24.432 ( -0.218 0.000 -1.287) 1.305 24.547 ( -3.115 0.000 -3.338) 4.566 24.556 ( -0.320 0.000 -0.628) 0.705 24.708 ( 0.712 0.000 3.463) 3.535 24.812 ( 1.737 0.000 -0.250) 1.755 24.821 ( -6.560 0.000 6.366) 9.142 24.962 ( -3.815 0.000 1.416) 4.069 25.438 ( 0.740 0.000 0.880) 1.150 25.457 ( 3.248 0.000 1.385) 3.531 25.571 ( 5.832 0.000 -3.457) 6.779 25.801 ( -0.930 0.000 -5.810) 5.884 ======================= Grid point 38 (16/48) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( -17.631 0.000 0.639) 17.643 1.287 ( 17.653 0.000 6.234) 18.721 1.331 ( 11.043 0.000 -13.510) 17.449 1.509 ( -12.533 0.000 -4.043) 13.169 1.732 ( -7.492 0.000 -1.405) 7.623 1.766 ( 6.214 0.000 -1.007) 6.295 1.863 ( 3.422 0.000 -5.131) 6.167 1.927 ( -3.912 0.000 -0.405) 3.933 2.041 ( 8.453 0.000 1.998) 8.686 2.074 ( -9.360 0.000 2.664) 9.732 2.102 ( -1.960 0.000 -1.290) 2.346 2.181 ( 0.343 0.000 0.558) 0.655 2.319 ( 0.698 0.000 -6.257) 6.296 2.370 ( -7.748 0.000 0.283) 7.753 2.389 ( -2.093 0.000 -2.687) 3.406 2.407 ( 9.355 0.000 0.010) 9.355 2.666 ( -2.166 0.000 -1.271) 2.512 2.671 ( 9.472 0.000 -1.847) 9.651 2.728 ( 2.321 0.000 -7.578) 7.926 2.889 ( -2.353 0.000 -5.474) 5.958 2.905 ( 4.162 0.000 -2.294) 4.752 2.928 ( -1.528 0.000 1.153) 1.914 2.932 ( -12.241 0.000 2.619) 12.518 3.083 ( 3.531 0.000 5.936) 6.907 3.090 ( 2.335 0.000 -0.552) 2.399 3.217 ( 1.529 0.000 4.552) 4.802 3.298 ( 4.034 0.000 0.775) 4.108 3.312 ( 6.123 0.000 8.503) 10.478 3.365 ( -5.213 0.000 3.962) 6.548 3.430 ( -2.097 0.000 9.588) 9.815 3.472 ( -3.997 0.000 12.536) 13.157 3.662 ( -1.961 0.000 9.087) 9.296 3.739 ( -0.860 0.000 -4.398) 4.481 3.829 ( 1.595 0.000 -7.008) 7.187 4.044 ( 2.033 0.000 -5.182) 5.566 4.064 ( -1.041 0.000 -4.016) 4.149 4.128 ( 1.564 0.000 1.893) 2.455 4.286 ( -2.022 0.000 1.115) 2.309 4.417 ( 0.679 0.000 8.032) 8.060 4.472 ( 1.105 0.000 3.175) 3.362 4.553 ( -5.102 0.000 5.941) 7.831 4.685 ( -3.070 0.000 0.469) 3.106 4.690 ( 5.403 0.000 1.364) 5.572 4.738 ( 1.076 0.000 3.994) 4.136 4.977 ( 0.783 0.000 -8.978) 9.012 5.107 ( 3.685 0.000 -3.585) 5.141 5.129 ( 0.016 0.000 3.542) 3.542 5.180 ( -0.013 0.000 2.474) 2.474 5.298 ( -4.346 0.000 -1.217) 4.513 5.444 ( 1.421 0.000 -1.383) 1.983 5.515 ( 2.993 0.000 5.903) 6.619 5.529 ( -7.198 0.000 -3.718) 8.102 5.610 ( -6.309 0.000 5.255) 8.211 5.807 ( 9.770 0.000 -6.360) 11.657 5.960 ( 4.131 0.000 -0.531) 4.165 5.963 ( -7.087 0.000 2.045) 7.376 6.119 ( 1.523 0.000 0.125) 1.528 6.263 ( 0.949 0.000 -0.073) 0.952 6.402 ( 3.654 0.000 -0.824) 3.746 6.498 ( 1.589 0.000 -4.729) 4.989 6.615 ( -0.782 0.000 -4.916) 4.978 6.626 ( -2.034 0.000 -1.976) 2.836 6.770 ( -0.617 0.000 8.159) 8.182 6.866 ( -0.713 0.000 -1.650) 1.797 6.944 ( -0.040 0.000 -2.976) 2.976 7.026 ( 6.114 0.000 -10.030) 11.746 7.068 ( -1.048 0.000 3.932) 4.069 7.182 ( 1.641 0.000 -0.761) 1.809 7.299 ( -4.135 0.000 0.252) 4.143 7.533 ( -3.080 0.000 -1.258) 3.327 7.551 ( -3.229 0.000 2.007) 3.802 7.737 ( -1.680 0.000 3.371) 3.766 7.802 ( -0.831 0.000 -1.001) 1.301 7.832 ( 0.467 0.000 -9.699) 9.710 7.871 ( 1.428 0.000 -7.848) 7.977 8.151 ( 3.108 0.000 -1.384) 3.402 8.306 ( -2.424 0.000 -0.810) 2.556 8.368 ( 1.072 0.000 -0.540) 1.200 8.381 ( -0.406 0.000 0.769) 0.870 8.455 ( -6.471 0.000 -2.986) 7.127 8.549 ( -0.182 0.000 3.220) 3.225 8.688 ( 4.098 0.000 -0.424) 4.120 8.825 ( 4.203 0.000 -1.289) 4.396 8.905 ( 3.318 0.000 -0.129) 3.321 9.182 ( -0.631 0.000 2.224) 2.311 9.288 ( -0.044 0.000 -0.184) 0.190 9.487 ( -4.258 0.000 5.602) 7.037 9.570 ( 5.734 0.000 2.657) 6.320 9.635 ( -2.104 0.000 4.753) 5.198 9.747 ( -2.448 0.000 3.325) 4.129 9.881 ( 1.108 0.000 -1.655) 1.991 9.945 ( -0.350 0.000 -1.434) 1.476 12.968 ( -1.276 0.000 1.600) 2.046 13.009 ( 2.284 0.000 1.934) 2.993 13.085 ( 1.295 0.000 -1.130) 1.718 13.127 ( -1.933 0.000 -0.926) 2.143 13.712 ( -0.472 0.000 3.520) 3.552 13.772 ( -0.276 0.000 4.924) 4.931 13.805 ( 0.995 0.000 1.983) 2.218 13.986 ( -1.431 0.000 -2.773) 3.121 14.082 ( -0.252 0.000 -2.965) 2.976 14.128 ( 0.368 0.000 -1.922) 1.957 14.358 ( -0.250 0.000 1.877) 1.894 14.363 ( 0.596 0.000 0.246) 0.644 14.454 ( -0.227 0.000 0.089) 0.243 14.482 ( 1.308 0.000 -1.768) 2.199 14.618 ( 0.719 0.000 3.611) 3.681 14.770 ( -2.583 0.000 0.317) 2.602 14.936 ( 0.123 0.000 2.216) 2.219 14.937 ( 4.135 0.000 -0.123) 4.137 15.102 ( 2.539 0.000 -0.690) 2.631 15.125 ( -6.023 0.000 0.391) 6.035 15.306 ( 2.132 0.000 0.132) 2.136 15.320 ( -3.851 0.000 3.885) 5.470 15.402 ( -0.769 0.000 2.049) 2.189 15.490 ( 0.169 0.000 -2.329) 2.335 15.679 ( 6.626 0.000 -3.545) 7.515 15.894 ( -4.073 0.000 4.801) 6.296 15.901 ( 1.569 0.000 -3.387) 3.733 16.129 ( -0.304 0.000 -0.701) 0.764 16.735 ( 6.958 0.000 1.807) 7.189 16.931 ( -6.816 0.000 0.606) 6.843 17.097 ( -13.069 0.000 -9.313) 16.048 17.232 ( 10.349 0.000 -4.514) 11.290 21.066 ( -0.147 0.000 -0.272) 0.309 21.074 ( 0.088 0.000 -0.571) 0.578 21.458 ( 0.056 0.000 1.107) 1.108 21.463 ( -0.240 0.000 0.457) 0.516 21.660 ( 0.553 0.000 2.060) 2.133 21.721 ( -2.195 0.000 1.491) 2.654 21.746 ( -0.696 0.000 3.340) 3.412 21.965 ( 4.796 0.000 1.349) 4.983 22.322 ( -0.112 0.000 0.949) 0.955 22.420 ( 0.063 0.000 -0.934) 0.937 22.493 ( 0.205 0.000 -0.418) 0.465 22.563 ( 1.245 0.000 1.618) 2.041 22.756 ( -0.291 0.000 2.270) 2.289 22.930 ( -0.413 0.000 0.847) 0.943 23.214 ( 2.257 0.000 -5.117) 5.592 23.232 ( -2.289 0.000 -3.609) 4.274 24.102 ( -1.674 0.000 1.182) 2.049 24.213 ( -5.175 0.000 -4.429) 6.811 24.271 ( 1.094 0.000 2.165) 2.426 24.300 ( 7.199 0.000 -3.794) 8.138 24.414 ( 1.930 0.000 0.613) 2.025 24.446 ( 1.433 0.000 -2.693) 3.051 24.503 ( -0.220 0.000 -3.018) 3.025 24.532 ( -1.992 0.000 0.753) 2.129 24.705 ( -1.493 0.000 4.505) 4.746 24.748 ( -1.047 0.000 4.581) 4.699 24.853 ( 1.891 0.000 -0.006) 1.891 24.895 ( -2.631 0.000 1.153) 2.872 25.437 ( -0.842 0.000 0.785) 1.152 25.505 ( 1.483 0.000 2.495) 2.902 25.667 ( 3.284 0.000 -5.229) 6.175 25.742 ( -3.950 0.000 -3.031) 4.979 ======================= Grid point 39 (17/48) ======================= q-point: (-0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.733 ( -21.039 0.000 0.781) 21.053 1.139 ( -20.696 0.000 8.415) 22.341 1.460 ( 1.800 0.000 -20.663) 20.741 1.573 ( 9.605 0.000 13.504) 16.572 1.705 ( 5.044 0.000 -5.611) 7.545 1.763 ( -10.630 0.000 5.591) 12.011 1.873 ( -6.912 0.000 4.263) 8.121 1.994 ( -1.296 0.000 -9.623) 9.710 2.015 ( -8.042 0.000 -0.499) 8.057 2.067 ( 17.371 0.000 2.184) 17.508 2.137 ( -17.055 0.000 0.316) 17.058 2.216 ( 2.371 0.000 -1.431) 2.770 2.222 ( -3.546 0.000 -1.228) 3.753 2.286 ( 2.581 0.000 -0.960) 2.753 2.311 ( 7.791 0.000 -3.060) 8.370 2.427 ( -1.089 0.000 1.570) 1.911 2.622 ( 9.726 0.000 -0.827) 9.761 2.710 ( -3.401 0.000 -4.762) 5.852 2.734 ( -0.399 0.000 -1.085) 1.156 2.841 ( 0.879 0.000 0.684) 1.114 2.865 ( 0.778 0.000 -5.498) 5.553 2.912 ( -0.009 0.000 2.821) 2.821 3.030 ( -3.732 0.000 -2.624) 4.563 3.118 ( 1.221 0.000 -5.676) 5.806 3.141 ( 1.505 0.000 1.799) 2.346 3.290 ( -2.260 0.000 -0.046) 2.261 3.333 ( 7.213 0.000 4.686) 8.601 3.360 ( 0.948 0.000 4.488) 4.587 3.368 ( 0.041 0.000 10.308) 10.308 3.499 ( 11.149 0.000 7.727) 13.565 3.654 ( 0.251 0.000 8.716) 8.720 3.683 ( -1.979 0.000 0.995) 2.215 3.689 ( 20.555 0.000 5.003) 21.155 3.837 ( -1.093 0.000 -10.116) 10.174 3.992 ( -5.507 0.000 -5.501) 7.784 4.029 ( -6.808 0.000 3.695) 7.746 4.067 ( -0.576 0.000 -3.153) 3.205 4.318 ( -8.491 0.000 4.552) 9.634 4.364 ( 1.848 0.000 0.887) 2.050 4.392 ( -1.884 0.000 10.401) 10.570 4.510 ( 1.213 0.000 2.883) 3.128 4.674 ( 2.937 0.000 0.179) 2.942 4.812 ( 4.766 0.000 3.239) 5.762 4.907 ( 10.493 0.000 -1.481) 10.597 4.995 ( 1.379 0.000 -9.712) 9.809 5.092 ( -2.751 0.000 3.780) 4.675 5.147 ( -3.991 0.000 3.092) 5.049 5.196 ( 5.034 0.000 -1.609) 5.285 5.256 ( 0.379 0.000 -0.232) 0.444 5.320 ( -10.637 0.000 -3.519) 11.204 5.444 ( -4.613 0.000 1.944) 5.006 5.456 ( -8.280 0.000 3.765) 9.096 5.627 ( 7.905 0.000 4.712) 9.203 5.848 ( -2.337 0.000 0.284) 2.354 5.908 ( -1.909 0.000 -5.356) 5.686 6.034 ( 2.348 0.000 2.611) 3.511 6.127 ( -0.858 0.000 0.262) 0.897 6.226 ( -2.171 0.000 -0.523) 2.233 6.455 ( -1.768 0.000 0.988) 2.025 6.462 ( -11.673 0.000 -3.113) 12.081 6.489 ( 1.385 0.000 -7.047) 7.182 6.663 ( 3.008 0.000 -5.275) 6.073 6.784 ( 0.424 0.000 11.510) 11.518 6.848 ( 1.771 0.000 -4.722) 5.043 6.993 ( 4.901 0.000 -4.108) 6.395 7.084 ( 2.964 0.000 2.571) 3.923 7.147 ( 0.269 0.000 -7.581) 7.586 7.235 ( 1.690 0.000 2.200) 2.774 7.276 ( 6.902 0.000 -3.306) 7.653 7.478 ( -4.578 0.000 3.516) 5.773 7.495 ( -1.742 0.000 -1.940) 2.608 7.715 ( -0.167 0.000 3.965) 3.968 7.790 ( -3.810 0.000 -8.194) 9.037 7.801 ( 1.277 0.000 -3.198) 3.443 7.885 ( -1.601 0.000 -8.089) 8.246 8.147 ( -2.861 0.000 1.577) 3.267 8.238 ( -4.206 0.000 -0.887) 4.299 8.303 ( -5.844 0.000 -1.879) 6.138 8.397 ( 1.855 0.000 -0.243) 1.871 8.417 ( 1.563 0.000 -2.586) 3.021 8.561 ( 1.461 0.000 0.815) 1.673 8.811 ( 6.970 0.000 -0.456) 6.985 8.884 ( 3.223 0.000 2.157) 3.878 8.972 ( 3.016 0.000 -2.265) 3.772 9.108 ( -6.810 0.000 0.923) 6.872 9.277 ( -1.009 0.000 -0.812) 1.295 9.448 ( -0.531 0.000 2.671) 2.723 9.510 ( -6.490 0.000 5.120) 8.266 9.706 ( 3.124 0.000 2.365) 3.918 9.775 ( 5.907 0.000 4.688) 7.541 9.826 ( -4.510 0.000 -0.532) 4.541 9.990 ( 3.087 0.000 -1.114) 3.281 12.928 ( -1.183 0.000 3.171) 3.385 13.085 ( -0.606 0.000 -0.858) 1.051 13.090 ( 4.413 0.000 1.584) 4.689 13.152 ( 3.587 0.000 -1.923) 4.069 13.720 ( 1.297 0.000 3.606) 3.832 13.799 ( 3.479 0.000 6.769) 7.611 13.856 ( 3.891 0.000 2.618) 4.690 13.962 ( -0.978 0.000 -3.002) 3.157 14.107 ( 2.851 0.000 -3.384) 4.425 14.122 ( -0.849 0.000 -1.186) 1.458 14.356 ( 0.016 0.000 1.070) 1.070 14.363 ( -0.657 0.000 0.862) 1.084 14.446 ( -0.446 0.000 -0.127) 0.464 14.473 ( -2.814 0.000 -0.230) 2.823 14.600 ( -2.327 0.000 3.790) 4.448 14.697 ( -4.379 0.000 -0.451) 4.403 14.828 ( -7.416 0.000 1.696) 7.607 15.004 ( 1.549 0.000 3.161) 3.520 15.126 ( 0.852 0.000 -0.240) 0.885 15.163 ( 5.927 0.000 -4.358) 7.356 15.186 ( -7.480 0.000 2.677) 7.945 15.289 ( -1.789 0.000 1.724) 2.485 15.400 ( -0.308 0.000 2.394) 2.414 15.531 ( 2.817 0.000 -2.010) 3.461 15.776 ( 0.872 0.000 1.100) 1.404 15.901 ( 5.942 0.000 0.184) 5.945 15.946 ( 3.206 0.000 -2.520) 4.077 16.128 ( 0.121 0.000 -0.733) 0.743 16.547 ( -16.149 0.000 2.405) 16.327 16.802 ( -18.280 0.000 -17.047) 24.995 17.082 ( 12.131 0.000 0.066) 12.131 17.420 ( 9.259 0.000 -0.132) 9.260 21.057 ( -0.718 0.000 -0.308) 0.782 21.072 ( -0.331 0.000 -0.505) 0.604 21.453 ( -0.756 0.000 1.646) 1.812 21.467 ( 0.609 0.000 0.394) 0.725 21.560 ( -5.712 0.000 2.222) 6.129 21.667 ( -3.125 0.000 -0.361) 3.145 21.863 ( 7.745 0.000 2.588) 8.166 22.087 ( 7.626 0.000 4.217) 8.714 22.310 ( -1.074 0.000 1.110) 1.545 22.421 ( 0.092 0.000 -0.918) 0.923 22.514 ( 1.738 0.000 -0.453) 1.796 22.611 ( 3.702 0.000 0.354) 3.718 22.755 ( 0.362 0.000 3.706) 3.723 22.915 ( -0.604 0.000 2.463) 2.536 23.186 ( -1.873 0.000 -3.695) 4.143 23.285 ( 4.712 0.000 -5.279) 7.076 24.016 ( -6.505 0.000 -1.317) 6.637 24.070 ( -9.104 0.000 -7.253) 11.640 24.281 ( 0.039 0.000 3.104) 3.104 24.423 ( 3.314 0.000 -2.102) 3.924 24.459 ( 0.316 0.000 0.259) 0.408 24.470 ( 4.233 0.000 -0.959) 4.340 24.514 ( 1.357 0.000 2.827) 3.136 24.559 ( 4.582 0.000 -3.874) 6.000 24.674 ( -1.481 0.000 3.039) 3.380 24.754 ( 1.406 0.000 6.223) 6.380 24.822 ( -2.807 0.000 0.289) 2.822 24.924 ( 3.523 0.000 0.853) 3.625 25.410 ( -1.920 0.000 0.464) 1.975 25.508 ( -1.213 0.000 2.631) 2.897 25.606 ( -6.658 0.000 -2.319) 7.051 25.741 ( 0.671 0.000 -7.798) 7.827 ======================= Grid point 40 (18/48) ======================= q-point: (-0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.398 ( -10.658 0.000 12.684) 16.567 0.755 ( -18.717 0.000 17.046) 25.316 1.251 ( -34.684 0.000 21.901) 41.020 1.477 ( 0.637 0.000 -16.095) 16.108 1.615 ( -6.348 0.000 10.892) 12.607 1.765 ( -2.896 0.000 -0.088) 2.897 1.851 ( 7.281 0.000 -3.634) 8.138 1.853 ( 4.251 0.000 5.981) 7.338 1.954 ( -1.406 0.000 -9.114) 9.222 2.068 ( -6.156 0.000 10.747) 12.385 2.198 ( 1.038 0.000 -0.404) 1.114 2.221 ( 1.409 0.000 -1.973) 2.424 2.351 ( 2.226 0.000 -6.952) 7.300 2.433 ( 15.075 0.000 -0.841) 15.098 2.460 ( 5.807 0.000 -0.341) 5.817 2.516 ( 11.172 0.000 -4.711) 12.125 2.610 ( -3.552 0.000 -4.859) 6.019 2.763 ( 3.231 0.000 -4.596) 5.618 2.770 ( 1.721 0.000 -0.735) 1.871 2.892 ( 2.584 0.000 -5.165) 5.775 2.893 ( 1.835 0.000 -4.207) 4.590 2.918 ( -0.907 0.000 0.170) 0.923 2.960 ( 3.530 0.000 5.005) 6.125 3.086 ( -4.710 0.000 -5.722) 7.411 3.144 ( -0.430 0.000 -3.980) 4.003 3.225 ( -6.535 0.000 0.454) 6.551 3.302 ( -5.367 0.000 2.603) 5.965 3.389 ( 2.247 0.000 8.115) 8.420 3.445 ( 4.164 0.000 2.426) 4.819 3.596 ( -2.120 0.000 9.833) 10.059 3.712 ( 2.140 0.000 5.890) 6.267 3.801 ( -4.680 0.000 5.283) 7.057 3.813 ( 0.070 0.000 -11.730) 11.730 3.818 ( 14.200 0.000 7.720) 16.163 3.890 ( -4.194 0.000 1.194) 4.361 4.038 ( -3.130 0.000 10.629) 11.081 4.039 ( -0.808 0.000 -2.806) 2.920 4.250 ( 9.121 0.000 -7.641) 11.899 4.362 ( -1.741 0.000 10.184) 10.331 4.443 ( 4.580 0.000 -0.504) 4.608 4.519 ( -0.076 0.000 1.197) 1.199 4.750 ( 3.660 0.000 -3.368) 4.974 4.882 ( 2.151 0.000 2.337) 3.177 4.977 ( -2.066 0.000 -0.470) 2.119 4.983 ( -5.610 0.000 -1.621) 5.840 5.076 ( -0.307 0.000 -3.931) 3.943 5.110 ( 4.220 0.000 0.065) 4.220 5.128 ( -7.260 0.000 0.322) 7.267 5.214 ( -4.652 0.000 3.606) 5.886 5.317 ( 4.803 0.000 -3.951) 6.219 5.363 ( -2.675 0.000 5.834) 6.418 5.406 ( 5.902 0.000 2.248) 6.315 5.787 ( -7.785 0.000 0.318) 7.792 5.799 ( 8.388 0.000 2.508) 8.755 5.853 ( 1.747 0.000 -1.945) 2.615 6.005 ( -5.525 0.000 -2.542) 6.082 6.100 ( -1.158 0.000 7.896) 7.980 6.219 ( 0.732 0.000 -7.215) 7.252 6.238 ( -9.010 0.000 -0.699) 9.037 6.416 ( -2.080 0.000 -1.133) 2.369 6.477 ( -2.442 0.000 -0.056) 2.442 6.724 ( 3.761 0.000 -6.304) 7.341 6.785 ( -0.080 0.000 5.216) 5.216 6.945 ( 5.903 0.000 -3.177) 6.703 7.072 ( -4.161 0.000 -5.802) 7.140 7.082 ( 3.530 0.000 -3.266) 4.809 7.167 ( 4.330 0.000 3.360) 5.481 7.309 ( 3.054 0.000 -0.190) 3.060 7.395 ( -1.070 0.000 -4.207) 4.341 7.397 ( 3.011 0.000 5.135) 5.953 7.449 ( -3.169 0.000 -1.017) 3.328 7.669 ( -8.863 0.000 -5.578) 10.472 7.725 ( 0.670 0.000 2.377) 2.469 7.831 ( -2.098 0.000 -5.685) 6.060 7.862 ( 4.649 0.000 -0.794) 4.716 8.060 ( -5.575 0.000 0.755) 5.626 8.170 ( -2.000 0.000 -3.837) 4.327 8.231 ( -1.972 0.000 -3.089) 3.665 8.437 ( 1.990 0.000 -0.947) 2.204 8.442 ( 0.225 0.000 -1.658) 1.673 8.603 ( 2.980 0.000 0.126) 2.983 8.836 ( -4.581 0.000 3.506) 5.769 8.931 ( -3.496 0.000 0.616) 3.550 8.986 ( -2.698 0.000 -7.131) 7.625 9.073 ( 8.595 0.000 -0.246) 8.598 9.238 ( -3.939 0.000 -0.825) 4.024 9.382 ( -6.054 0.000 3.291) 6.890 9.420 ( -2.924 0.000 -2.348) 3.750 9.747 ( 1.602 0.000 2.642) 3.090 9.751 ( -2.834 0.000 2.801) 3.985 9.911 ( 7.175 0.000 4.608) 8.527 10.041 ( 2.157 0.000 -0.713) 2.271 12.943 ( 2.725 0.000 3.643) 4.549 13.081 ( 0.101 0.000 -1.527) 1.530 13.159 ( 2.617 0.000 1.625) 3.080 13.227 ( 3.801 0.000 -1.888) 4.244 13.754 ( 1.877 0.000 3.954) 4.377 13.929 ( 7.972 0.000 6.927) 10.562 13.929 ( 2.776 0.000 2.778) 3.927 13.962 ( 4.161 0.000 0.763) 4.230 14.114 ( 0.725 0.000 0.133) 0.737 14.178 ( 4.098 0.000 -2.799) 4.962 14.327 ( -4.095 0.000 2.317) 4.705 14.359 ( 0.164 0.000 -0.435) 0.465 14.394 ( -3.556 0.000 0.564) 3.601 14.445 ( 0.602 0.000 -1.774) 1.874 14.511 ( -5.917 0.000 2.482) 6.417 14.634 ( -0.523 0.000 1.829) 1.903 14.785 ( 2.685 0.000 -0.644) 2.762 14.958 ( -4.919 0.000 4.869) 6.921 15.090 ( -2.513 0.000 4.002) 4.726 15.161 ( -4.745 0.000 1.688) 5.036 15.188 ( 6.293 0.000 1.271) 6.420 15.361 ( 6.942 0.000 -1.416) 7.085 15.393 ( -0.316 0.000 3.958) 3.970 15.582 ( 3.330 0.000 -4.874) 5.903 15.762 ( -1.892 0.000 0.433) 1.941 16.010 ( 2.351 0.000 -4.913) 5.446 16.011 ( 2.888 0.000 0.065) 2.889 16.116 ( -2.553 0.000 -2.233) 3.392 16.255 ( -12.266 0.000 0.004) 12.266 16.347 ( -29.968 0.000 -19.571) 35.792 17.276 ( 7.678 0.000 1.776) 7.881 17.586 ( 8.074 0.000 0.857) 8.120 21.043 ( -0.567 0.000 -0.230) 0.612 21.064 ( -0.362 0.000 -0.486) 0.606 21.417 ( -2.655 0.000 3.263) 4.207 21.483 ( 0.925 0.000 0.228) 0.953 21.497 ( -1.045 0.000 0.478) 1.149 21.615 ( -1.912 0.000 -0.530) 1.984 21.993 ( 5.398 0.000 2.835) 6.097 22.238 ( 7.220 0.000 3.396) 7.979 22.286 ( -1.348 0.000 1.510) 2.024 22.419 ( -0.632 0.000 -1.920) 2.022 22.548 ( 1.574 0.000 -0.599) 1.684 22.683 ( 2.873 0.000 -3.114) 4.237 22.782 ( 1.883 0.000 1.916) 2.687 22.969 ( 10.103 0.000 12.692) 16.222 23.157 ( -1.027 0.000 -4.026) 4.155 23.390 ( 5.816 0.000 -4.237) 7.196 23.833 ( -17.817 0.000 -11.425) 21.166 23.882 ( -6.682 0.000 -4.610) 8.118 24.283 ( 0.155 0.000 3.904) 3.907 24.449 ( 1.018 0.000 -0.157) 1.030 24.461 ( -0.228 0.000 1.333) 1.352 24.532 ( 1.060 0.000 -1.596) 1.916 24.573 ( 2.818 0.000 0.881) 2.952 24.622 ( 1.184 0.000 -1.068) 1.594 24.651 ( -0.716 0.000 1.635) 1.784 24.791 ( 0.030 0.000 -1.965) 1.965 24.849 ( 11.254 0.000 11.857) 16.347 24.996 ( 3.640 0.000 2.091) 4.198 25.374 ( -1.451 0.000 -0.057) 1.452 25.464 ( -3.073 0.000 1.647) 3.486 25.482 ( -5.550 0.000 -1.722) 5.811 25.677 ( -9.037 0.000 -11.822) 14.880 ======================= Grid point 41 (19/48) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( 0.505 21.986 8.865) 23.711 0.707 ( -0.947 18.601 13.415) 22.953 1.232 ( 0.580 28.510 19.875) 34.758 1.544 ( 1.719 3.398 -11.656) 12.262 1.598 ( -0.832 5.932 4.772) 7.658 1.725 ( -0.413 0.109 -0.315) 0.531 1.868 ( 1.251 -6.939 -2.280) 7.410 1.959 ( -1.230 2.722 6.199) 6.881 1.984 ( 0.013 2.879 13.699) 13.999 2.019 ( 0.612 1.690 -5.652) 5.931 2.131 ( 0.079 -6.227 0.908) 6.293 2.243 ( 2.812 -0.319 3.713) 4.669 2.347 ( -1.043 -1.082 -5.383) 5.589 2.419 ( 0.280 -5.585 0.044) 5.593 2.508 ( 0.897 -3.575 -6.757) 7.697 2.559 ( 3.203 -3.790 -5.110) 7.123 2.682 ( -0.399 -3.800 -2.705) 4.682 2.686 ( -2.979 -2.874 -3.515) 5.430 2.698 ( 2.373 -5.128 -13.178) 14.338 2.853 ( 0.044 -4.641 -2.600) 5.320 2.954 ( 0.792 -1.187 2.819) 3.160 2.976 ( -3.763 0.659 -1.957) 4.293 3.010 ( -2.033 -2.470 2.468) 4.040 3.050 ( 2.358 0.750 -1.591) 2.942 3.055 ( -0.747 0.715 2.325) 2.545 3.154 ( -0.059 -0.922 0.331) 0.982 3.236 ( -2.844 2.561 -1.329) 4.052 3.456 ( 1.372 -3.333 4.815) 6.014 3.491 ( 2.239 1.634 4.440) 5.234 3.587 ( -6.123 6.321 3.672) 9.536 3.745 ( 2.752 2.399 10.408) 11.030 3.764 ( -2.491 4.042 1.251) 4.909 3.833 ( 1.088 -5.125 4.204) 6.717 3.877 ( 0.853 0.903 0.473) 1.329 3.935 ( 0.417 5.783 1.517) 5.993 4.082 ( -0.234 1.849 1.646) 2.487 4.118 ( 3.621 7.110 6.125) 10.059 4.241 ( -1.138 -1.962 0.361) 2.297 4.425 ( -2.786 3.083 1.689) 4.485 4.454 ( -0.647 -6.457 2.676) 7.019 4.561 ( 0.874 2.410 -5.056) 5.669 4.712 ( -0.542 -7.688 1.459) 7.845 4.792 ( -0.566 -13.476 -3.363) 13.901 4.925 ( -1.003 1.743 1.442) 2.475 4.977 ( 1.574 -1.146 7.258) 7.514 4.997 ( 2.608 1.524 -6.963) 7.590 5.072 ( -1.116 3.394 -0.817) 3.665 5.195 ( -0.539 3.662 -0.803) 3.788 5.270 ( 2.762 3.476 -0.408) 4.458 5.354 ( 1.830 -2.302 0.424) 2.971 5.393 ( -2.389 -2.267 3.499) 4.805 5.531 ( -0.068 7.816 -1.574) 7.973 5.648 ( -0.879 -0.747 1.107) 1.598 5.796 ( -4.001 0.582 -2.828) 4.934 5.872 ( 4.855 -4.458 -0.424) 6.605 5.973 ( -1.073 -0.659 -3.905) 4.103 5.992 ( -0.251 2.792 0.516) 2.850 6.175 ( 2.158 1.124 1.689) 2.962 6.227 ( 1.216 -2.364 -9.046) 9.428 6.491 ( -1.321 1.049 -6.755) 6.963 6.525 ( -2.874 4.332 -0.201) 5.202 6.642 ( -1.063 -0.796 2.259) 2.621 6.762 ( -3.486 -8.379 -0.462) 9.087 6.917 ( -0.867 4.732 -2.466) 5.406 7.048 ( -0.260 -4.675 -0.937) 4.775 7.137 ( 3.903 0.308 -2.983) 4.922 7.273 ( 4.580 3.303 -1.249) 5.783 7.305 ( -1.408 -0.939 1.606) 2.333 7.351 ( -2.344 -1.326 1.474) 3.070 7.462 ( -0.559 3.942 2.141) 4.521 7.486 ( 7.568 -3.008 1.030) 8.209 7.613 ( 0.421 2.140 -3.715) 4.307 7.716 ( 0.254 -6.130 -1.062) 6.227 7.777 ( -5.336 -6.484 0.810) 8.436 7.911 ( -0.675 4.214 -3.426) 5.473 7.998 ( 5.051 -2.626 -6.616) 8.729 8.190 ( 5.284 5.330 -3.512) 8.286 8.336 ( 2.738 4.585 -5.246) 7.487 8.379 ( -3.495 -0.197 1.995) 4.029 8.459 ( 0.866 -0.765 -1.036) 1.552 8.578 ( -2.112 -5.233 2.111) 6.025 8.719 ( -0.733 -2.264 2.953) 3.792 8.829 ( -5.629 0.031 1.826) 5.918 8.875 ( -6.441 0.853 -3.244) 7.262 9.118 ( 2.349 -0.640 1.928) 3.106 9.260 ( 0.876 -3.180 -0.991) 3.444 9.367 ( -0.535 9.220 -0.293) 9.240 9.518 ( 2.914 4.878 -5.250) 7.736 9.739 ( -1.433 2.541 3.621) 4.650 9.777 ( -0.143 1.854 2.266) 2.932 9.959 ( 0.800 -3.309 2.610) 4.290 10.035 ( 0.027 -3.008 -0.430) 3.039 12.965 ( -0.250 -0.096 4.039) 4.048 13.098 ( 0.122 0.938 -1.568) 1.831 13.152 ( -1.383 -1.823 1.653) 2.823 13.276 ( 0.568 -0.894 -2.439) 2.659 13.778 ( 0.525 -0.079 4.370) 4.403 13.932 ( -1.675 -3.973 5.164) 6.727 13.954 ( -1.363 1.941 2.170) 3.215 14.017 ( 2.150 -4.633 3.279) 6.070 14.166 ( 1.441 -0.226 -0.578) 1.569 14.210 ( -0.777 -1.139 -0.080) 1.381 14.241 ( -0.052 -0.129 1.158) 1.166 14.306 ( 1.422 -2.994 -0.902) 3.435 14.335 ( -0.584 -2.483 -0.302) 2.568 14.391 ( 0.708 -3.333 -1.110) 3.584 14.472 ( -0.262 2.078 -1.092) 2.362 14.680 ( 3.129 -5.523 3.404) 7.203 14.829 ( -5.523 0.350 4.156) 6.921 14.914 ( 5.502 2.195 -0.284) 5.930 14.995 ( -6.313 -3.118 2.184) 7.372 15.065 ( -4.451 -0.042 2.363) 5.039 15.200 ( 1.922 5.213 1.309) 5.708 15.391 ( 2.191 0.254 5.254) 5.698 15.546 ( 0.695 -1.941 -4.860) 5.279 15.584 ( -1.337 1.927 -1.324) 2.694 15.726 ( 3.704 -2.182 -1.036) 4.422 15.829 ( -0.718 -1.089 0.381) 1.359 16.002 ( -2.950 1.605 -3.317) 4.720 16.088 ( 2.894 -1.873 0.341) 3.464 16.228 ( 0.520 15.429 1.237) 15.487 16.569 ( 1.783 19.974 -14.868) 24.964 17.289 ( 0.999 -7.001 3.031) 7.694 17.520 ( -0.361 -11.963 1.391) 12.049 21.102 ( 0.026 4.692 -0.482) 4.717 21.174 ( 0.876 6.181 -2.957) 6.908 21.371 ( -0.170 -1.484 2.813) 3.185 21.533 ( 1.689 0.296 -0.207) 1.727 21.562 ( -1.953 1.083 0.551) 2.300 21.733 ( 3.758 13.003 -8.515) 15.991 22.022 ( 0.012 -2.135 2.467) 3.263 22.246 ( -5.861 -2.135 1.449) 6.404 22.299 ( -1.297 1.821 0.439) 2.278 22.385 ( 1.327 -1.167 -3.221) 3.674 22.571 ( -0.352 0.648 -1.584) 1.748 22.699 ( -0.341 -2.201 -3.534) 4.177 22.804 ( 0.534 1.646 1.486) 2.281 23.058 ( -3.336 -4.995 0.992) 6.088 23.211 ( -15.170 2.109 -0.052) 15.316 23.349 ( 10.127 -4.869 3.972) 11.918 23.552 ( 4.316 0.900 -6.919) 8.204 23.739 ( 1.218 -6.187 -7.944) 10.143 24.284 ( -1.035 0.390 4.338) 4.477 24.391 ( -2.439 -2.261 3.357) 4.725 24.471 ( -0.061 1.068 1.084) 1.523 24.524 ( 0.685 -0.216 -0.631) 0.956 24.579 ( -1.040 0.313 1.591) 1.927 24.616 ( -0.315 -0.021 0.178) 0.362 24.677 ( 0.454 1.716 1.702) 2.459 24.787 ( 0.226 -1.206 2.156) 2.481 25.050 ( 1.555 0.819 2.724) 3.241 25.184 ( 5.268 -3.305 0.936) 6.289 25.351 ( -2.191 -0.840 -0.176) 2.353 25.393 ( -0.250 -1.340 -1.704) 2.182 25.413 ( 0.388 1.624 0.123) 1.674 25.458 ( -0.177 1.185 -1.192) 1.690 ======================= Grid point 42 (20/48) ======================= q-point: ( 0.17 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( 10.011 21.958 3.476) 24.381 0.868 ( 13.116 17.043 9.842) 23.650 1.464 ( 15.808 13.684 7.401) 22.179 1.607 ( 3.919 3.668 -5.471) 7.664 1.676 ( 7.196 4.285 4.143) 9.344 1.734 ( 5.824 5.881 0.980) 8.335 1.815 ( -6.239 -4.825 1.100) 7.964 1.908 ( -1.569 -0.180 1.045) 1.894 2.036 ( 0.960 0.675 -3.405) 3.602 2.046 ( 4.444 0.974 6.261) 7.739 2.133 ( 0.122 -3.653 2.547) 4.455 2.278 ( -1.547 -2.055 2.534) 3.611 2.311 ( -3.338 0.083 -1.191) 3.545 2.363 ( -2.979 -0.897 -1.384) 3.405 2.500 ( -10.577 0.764 -2.169) 10.824 2.525 ( -1.996 -0.371 -3.492) 4.039 2.547 ( -6.970 -4.905 -5.446) 10.114 2.673 ( 2.088 -3.911 -2.966) 5.334 2.719 ( -0.202 -5.585 -8.957) 10.557 2.858 ( 0.029 -2.457 -3.685) 4.429 2.937 ( -2.925 -1.429 2.570) 4.148 2.966 ( 0.389 -0.173 -3.273) 3.301 2.996 ( -3.312 -1.133 0.391) 3.522 3.017 ( 2.843 0.313 1.242) 3.119 3.076 ( 0.774 1.080 -2.246) 2.609 3.148 ( -0.678 -0.952 0.576) 1.303 3.243 ( 5.363 -2.173 1.943) 6.104 3.450 ( -5.986 -0.301 5.689) 8.264 3.485 ( -3.988 -0.198 2.876) 4.921 3.501 ( 0.958 0.355 7.821) 7.888 3.703 ( -3.267 2.931 2.408) 5.006 3.753 ( -0.702 2.250 10.725) 10.981 3.865 ( -1.194 3.938 -6.127) 7.380 3.939 ( 3.863 3.392 -7.683) 9.244 3.990 ( 3.547 -2.421 6.319) 7.640 4.058 ( -0.489 5.073 2.834) 5.831 4.091 ( -1.128 4.170 6.589) 7.879 4.253 ( -0.992 1.380 -0.521) 1.777 4.361 ( -3.599 3.291 4.807) 6.848 4.456 ( 0.313 -3.962 2.513) 4.702 4.471 ( -5.239 -0.587 -0.546) 5.300 4.697 ( -1.022 -8.389 -0.712) 8.481 4.783 ( -1.327 -9.042 -3.496) 9.785 4.921 ( -0.235 0.438 0.564) 0.752 4.977 ( -2.068 -0.576 6.052) 6.421 5.086 ( 4.974 -0.762 -4.486) 6.741 5.113 ( -0.671 2.514 6.588) 7.083 5.160 ( -0.911 -0.864 0.180) 1.268 5.212 ( -4.291 -3.313 0.125) 5.422 5.339 ( 1.055 -1.694 0.816) 2.156 5.382 ( 2.166 0.097 0.960) 2.372 5.522 ( 0.500 5.221 -3.747) 6.446 5.701 ( -0.713 -1.057 2.133) 2.486 5.816 ( 6.145 0.263 -3.977) 7.324 5.861 ( -4.804 6.234 2.800) 8.353 6.012 ( 6.888 3.005 -4.738) 8.884 6.086 ( 7.256 -0.117 -2.671) 7.733 6.200 ( -0.261 2.546 4.240) 4.952 6.250 ( 1.859 -4.199 -8.070) 9.285 6.425 ( -4.594 -0.777 -2.043) 5.087 6.500 ( 3.244 7.813 -3.153) 9.028 6.646 ( 0.785 -2.317 -1.430) 2.834 6.718 ( -2.017 -4.919 -2.331) 5.805 6.887 ( -1.840 3.502 -5.312) 6.623 7.002 ( -3.849 -5.551 0.409) 6.767 7.157 ( -0.994 0.174 -0.249) 1.039 7.217 ( -5.079 2.289 1.922) 5.894 7.303 ( -2.024 1.212 -0.035) 2.360 7.360 ( 0.206 2.624 -0.555) 2.690 7.534 ( 6.632 -3.120 0.462) 7.344 7.606 ( 0.142 -7.433 5.073) 9.000 7.635 ( -0.816 -2.616 -3.706) 4.609 7.730 ( 5.458 -0.539 -2.572) 6.057 7.780 ( 5.631 -3.070 -5.425) 8.400 7.908 ( 1.035 1.523 -3.775) 4.200 8.043 ( -1.300 1.060 -1.296) 2.119 8.238 ( -1.492 1.910 -0.402) 2.457 8.353 ( 3.429 1.964 -5.459) 6.739 8.418 ( 0.790 0.270 -0.937) 1.255 8.462 ( -0.280 1.662 -0.990) 1.954 8.533 ( 1.073 -4.879 4.813) 6.937 8.718 ( -2.949 0.217 1.476) 3.305 8.740 ( -3.335 -5.387 -3.547) 7.262 8.809 ( 1.725 0.148 -2.332) 2.904 9.102 ( -1.674 0.569 3.083) 3.554 9.298 ( 1.427 -2.872 1.600) 3.584 9.377 ( 2.716 9.308 -1.229) 9.773 9.605 ( 3.708 0.749 -0.484) 3.814 9.717 ( -0.027 2.713 1.804) 3.258 9.764 ( -1.013 2.708 2.457) 3.794 9.924 ( -4.048 -2.338 3.289) 5.716 10.011 ( -2.066 -2.773 -0.618) 3.512 12.941 ( -1.429 0.933 4.681) 4.982 13.091 ( -0.660 1.034 -1.714) 2.108 13.103 ( -3.260 -1.539 0.737) 3.679 13.247 ( -3.076 -1.189 -1.148) 3.492 13.767 ( -1.538 -0.079 4.293) 4.561 13.859 ( -4.690 -2.527 7.291) 9.030 13.905 ( -3.262 2.459 1.019) 4.210 14.019 ( -0.451 -1.193 0.313) 1.313 14.142 ( -1.997 0.028 -1.331) 2.400 14.185 ( -3.604 -0.163 -0.097) 3.609 14.248 ( 1.920 -2.636 -0.120) 3.263 14.309 ( -0.383 -5.297 0.539) 5.338 14.403 ( 5.536 0.454 -0.437) 5.572 14.436 ( 3.195 0.812 -0.090) 3.298 14.506 ( 3.003 2.692 1.124) 4.187 14.683 ( 1.015 -1.367 6.690) 6.903 14.843 ( 4.567 -2.373 -3.710) 6.345 14.913 ( -1.705 -0.053 -0.131) 1.711 14.989 ( -2.096 2.880 1.704) 3.949 15.033 ( 5.422 -2.008 0.501) 5.803 15.261 ( 3.851 4.855 0.689) 6.235 15.422 ( 0.649 2.168 5.401) 5.856 15.485 ( -4.715 1.612 1.336) 5.159 15.563 ( -0.880 -0.435 -2.642) 2.818 15.795 ( -3.865 0.501 -4.399) 5.877 15.854 ( 5.545 0.605 -1.133) 5.692 16.070 ( 3.762 -2.897 -1.289) 4.920 16.114 ( 1.412 -1.831 1.622) 2.824 16.287 ( 5.931 9.723 -0.731) 11.413 16.687 ( 10.835 7.704 -15.028) 20.065 17.245 ( -5.558 -6.873 3.458) 9.492 17.439 ( -7.579 -9.894 0.041) 12.464 21.106 ( 0.412 4.793 -0.463) 4.833 21.186 ( 0.330 7.621 -2.351) 7.982 21.400 ( 3.132 -1.431 2.606) 4.318 21.525 ( -1.643 2.749 1.088) 3.383 21.563 ( 0.935 0.273 -0.882) 1.314 21.760 ( -1.348 10.224 -6.168) 12.017 21.951 ( -6.553 -3.985 4.599) 8.943 22.041 ( -9.566 0.352 3.245) 10.108 22.309 ( 1.311 2.157 0.944) 2.695 22.409 ( 0.781 -0.268 -1.765) 1.949 22.547 ( -2.105 0.018 -1.692) 2.701 22.631 ( -5.007 -1.300 -1.140) 5.298 22.802 ( -1.214 2.801 4.891) 5.766 22.916 ( -1.281 2.383 3.993) 4.823 23.135 ( 0.611 -1.674 -3.887) 4.276 23.346 ( -5.170 -4.047 -2.749) 7.118 23.818 ( 14.807 -5.116 -7.476) 17.359 23.858 ( 9.443 -4.879 -6.035) 12.223 24.261 ( -1.273 -0.113 4.413) 4.595 24.346 ( -1.729 -0.804 3.761) 4.217 24.464 ( -1.059 2.064 0.619) 2.401 24.518 ( -2.799 0.754 0.312) 2.916 24.557 ( 0.095 0.698 -0.281) 0.758 24.592 ( -1.629 -0.033 -0.895) 1.859 24.701 ( 1.568 1.010 2.052) 2.773 24.779 ( -0.732 -1.483 1.929) 2.542 24.998 ( -9.830 0.239 3.390) 10.401 25.030 ( -5.254 -0.146 2.278) 5.729 25.391 ( 2.431 -0.365 0.315) 2.478 25.406 ( 2.334 -0.699 -0.151) 2.441 25.485 ( 4.642 1.437 -1.624) 5.123 25.653 ( 10.827 -5.334 -5.469) 13.250 ======================= Grid point 43 (21/48) ======================= q-point: ( 0.33 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( 17.088 12.124 -0.191) 20.953 1.155 ( 15.428 12.220 4.257) 20.137 1.540 ( -10.024 7.393 3.991) 13.079 1.597 ( -0.145 1.350 -13.269) 13.338 1.733 ( 1.380 -2.223 -1.229) 2.890 1.754 ( 1.104 -4.326 -5.411) 7.015 1.874 ( 0.851 0.507 3.160) 3.312 1.972 ( -5.362 -4.259 -9.087) 11.378 2.052 ( -5.746 0.395 1.646) 5.990 2.141 ( 2.286 1.252 1.823) 3.181 2.163 ( 3.480 -0.676 0.231) 3.553 2.223 ( 0.819 0.450 -0.293) 0.979 2.272 ( 15.960 13.369 9.648) 22.946 2.325 ( -3.374 4.499 -1.238) 5.758 2.352 ( -3.304 -4.278 -2.832) 6.102 2.391 ( -1.685 -2.103 3.344) 4.294 2.542 ( -4.656 -1.037 -3.353) 5.831 2.662 ( 3.992 1.075 -5.507) 6.886 2.723 ( -2.318 1.169 -0.238) 2.607 2.856 ( -0.919 -0.790 -3.766) 3.957 2.896 ( 2.722 -0.656 -0.672) 2.880 2.952 ( -0.661 -0.255 0.855) 1.110 2.963 ( -0.097 -3.614 -0.100) 3.616 3.093 ( 2.257 3.236 -0.018) 3.945 3.105 ( 0.917 -0.535 -0.922) 1.406 3.178 ( 3.559 -3.804 0.394) 5.224 3.298 ( -0.745 -0.345 3.164) 3.269 3.371 ( -6.259 -7.898 8.454) 13.154 3.428 ( -0.190 0.708 3.747) 3.818 3.461 ( -3.296 -0.865 6.710) 7.525 3.563 ( -10.587 4.754 3.427) 12.100 3.695 ( -8.274 1.209 4.821) 9.652 3.833 ( -1.572 2.288 -1.966) 3.402 3.938 ( -1.957 4.368 -3.336) 5.834 3.996 ( 2.686 2.130 -6.287) 7.161 4.097 ( 1.644 7.143 7.069) 10.183 4.128 ( 0.504 6.447 -0.894) 6.528 4.285 ( 10.251 -6.078 5.536) 13.141 4.370 ( 2.568 -0.873 6.276) 6.837 4.390 ( -3.798 -0.480 1.406) 4.078 4.466 ( 0.290 -0.462 3.821) 3.860 4.676 ( -1.738 -5.031 -2.900) 6.061 4.733 ( -4.909 -8.693 1.901) 10.163 4.859 ( -5.739 -1.533 -0.061) 5.940 4.927 ( -2.510 -1.036 1.460) 3.083 4.997 ( -3.490 -3.972 6.205) 8.152 5.096 ( -1.171 0.894 -2.368) 2.789 5.181 ( 0.383 -3.272 -0.374) 3.315 5.314 ( 6.154 -5.504 4.531) 9.418 5.392 ( 4.775 -1.074 0.160) 4.897 5.414 ( 0.076 1.127 -1.249) 1.684 5.591 ( 7.093 0.734 -5.507) 9.009 5.645 ( -3.353 -1.823 1.848) 4.240 5.761 ( -3.203 8.191 -0.464) 8.807 5.945 ( 2.409 3.507 -4.061) 5.882 6.093 ( 2.093 3.353 -3.151) 5.056 6.148 ( -3.853 4.271 5.951) 8.277 6.238 ( 7.309 3.056 -2.567) 8.328 6.304 ( 2.628 -3.895 -4.547) 6.539 6.411 ( 3.652 -2.991 -4.548) 6.555 6.575 ( 1.963 3.260 -1.223) 3.997 6.656 ( -0.388 -1.943 -2.194) 2.956 6.737 ( 6.487 -0.521 -2.647) 7.026 6.847 ( -2.772 1.612 -5.031) 5.966 6.932 ( -2.523 -3.787 -1.836) 4.907 7.095 ( -5.329 1.421 -3.141) 6.347 7.147 ( -1.969 2.872 4.847) 5.968 7.237 ( -3.142 1.512 2.482) 4.280 7.369 ( -0.583 2.895 -2.886) 4.129 7.515 ( -4.457 -6.353 2.410) 8.127 7.612 ( -1.542 0.249 0.764) 1.739 7.666 ( 4.146 -2.943 -1.341) 5.259 7.824 ( 3.700 1.948 -6.413) 7.656 7.877 ( 2.151 -0.044 -7.631) 7.928 7.961 ( -4.726 4.792 4.908) 8.330 7.991 ( 6.514 -2.531 -3.370) 7.759 8.227 ( -0.382 -3.874 -0.170) 3.897 8.361 ( -0.997 -0.608 -1.308) 1.753 8.400 ( -0.722 0.533 -0.275) 0.938 8.484 ( -0.517 -2.196 -0.486) 2.308 8.536 ( -1.035 -5.321 2.845) 6.122 8.655 ( -3.584 -3.486 1.565) 5.239 8.744 ( 4.719 1.270 -6.140) 7.848 8.841 ( 0.294 -1.579 -2.605) 3.060 9.117 ( 3.176 -0.466 4.478) 5.510 9.308 ( -0.123 -1.413 2.881) 3.211 9.461 ( 5.503 4.426 0.075) 7.063 9.587 ( -3.937 0.358 4.892) 6.289 9.717 ( -1.948 2.708 2.286) 4.044 9.795 ( 3.082 0.495 0.014) 3.122 9.837 ( -3.179 -0.040 2.327) 3.940 9.967 ( -2.429 -2.214 -1.017) 3.440 12.939 ( 1.368 1.048 3.272) 3.698 13.039 ( -3.287 -1.420 0.365) 3.599 13.082 ( -0.142 1.066 -1.339) 1.717 13.178 ( -3.670 -0.952 -0.454) 3.818 13.735 ( -1.526 0.231 3.876) 4.172 13.790 ( -2.514 -1.174 5.043) 5.756 13.847 ( -2.472 2.559 1.461) 3.847 14.011 ( -0.651 0.684 -0.866) 1.281 14.094 ( -2.770 -1.858 -1.853) 3.815 14.147 ( -0.092 1.886 -1.629) 2.494 14.271 ( 0.414 -4.629 0.646) 4.692 14.311 ( 0.465 -5.188 0.192) 5.212 14.471 ( 0.916 2.236 1.310) 2.749 14.492 ( 3.155 3.437 -1.800) 5.001 14.588 ( 4.570 2.173 0.852) 5.132 14.734 ( 2.430 -2.564 2.886) 4.561 14.887 ( 0.975 -0.248 -1.758) 2.025 14.961 ( 4.136 -0.875 -0.414) 4.248 14.975 ( 1.944 0.894 0.338) 2.166 15.136 ( 5.037 -4.123 1.370) 6.652 15.313 ( -2.737 0.949 3.095) 4.239 15.363 ( -1.639 6.282 -0.867) 6.550 15.447 ( -0.527 1.178 4.965) 5.130 15.577 ( 2.284 5.360 -1.232) 5.955 15.717 ( -2.967 4.130 -5.022) 7.147 15.917 ( 0.724 3.850 -0.036) 3.917 16.033 ( -3.567 3.460 2.179) 5.426 16.147 ( -0.156 -0.413 -1.480) 1.545 16.467 ( 12.549 0.890 -1.475) 12.667 16.917 ( 12.009 -5.399 -9.149) 16.033 17.090 ( -10.350 -5.734 2.859) 12.173 17.259 ( -10.758 -7.565 -2.955) 13.479 21.114 ( 0.294 5.106 -0.222) 5.120 21.188 ( -0.010 9.122 -1.374) 9.225 21.467 ( 2.137 0.778 1.706) 2.843 21.512 ( 0.803 0.895 2.477) 2.754 21.559 ( -0.220 1.388 -0.881) 1.659 21.718 ( -1.355 0.053 2.335) 2.700 21.873 ( -4.677 -0.287 2.818) 5.468 21.908 ( -2.742 -1.357 -0.257) 3.070 22.332 ( 0.876 1.877 0.406) 2.111 22.417 ( 0.237 -0.058 -1.170) 1.195 22.502 ( -2.091 -0.474 -1.722) 2.750 22.572 ( -1.283 -0.030 0.633) 1.431 22.785 ( -0.560 2.429 3.445) 4.252 22.929 ( 0.791 0.821 1.684) 2.034 23.155 ( 1.470 -2.005 -4.118) 4.810 23.255 ( -3.838 -3.761 -3.642) 6.491 24.020 ( 8.329 -2.848 -2.849) 9.252 24.069 ( 10.630 -3.799 -6.453) 13.002 24.240 ( -0.918 -0.625 2.771) 2.985 24.337 ( 0.714 -0.799 3.159) 3.336 24.386 ( -6.613 1.348 -0.747) 6.790 24.484 ( -0.314 2.315 -0.567) 2.404 24.544 ( -3.163 -0.398 -2.266) 3.911 24.563 ( -0.469 0.429 -0.663) 0.918 24.720 ( 0.046 0.882 3.364) 3.478 24.772 ( -0.401 -2.070 3.379) 3.983 24.846 ( -4.184 0.995 1.791) 4.658 24.946 ( -4.150 -1.444 1.291) 4.579 25.436 ( 1.192 -0.132 1.176) 1.680 25.452 ( 2.978 -0.419 1.024) 3.177 25.587 ( 5.448 1.439 -3.011) 6.389 25.757 ( 1.055 -3.686 -4.353) 5.801 ======================= Grid point 44 (22/48) ======================= q-point: (-0.50 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( -14.217 8.886 1.796) 16.861 1.305 ( 12.650 3.403 4.306) 13.789 1.414 ( 3.163 6.189 -13.068) 14.801 1.566 ( -4.233 3.618 -9.215) 10.767 1.760 ( 5.288 -0.550 -5.891) 7.935 1.768 ( -5.580 3.442 -2.284) 6.943 1.834 ( 0.241 -2.565 -0.874) 2.721 1.868 ( 0.689 -4.553 -2.617) 5.297 2.030 ( 3.134 0.535 1.668) 3.590 2.087 ( -2.956 2.705 4.872) 6.308 2.161 ( -2.082 1.078 0.899) 2.511 2.245 ( -1.213 1.726 4.268) 4.761 2.274 ( -1.079 -2.605 -3.523) 4.512 2.332 ( 0.204 -3.084 0.237) 3.099 2.389 ( 1.041 -0.119 -3.799) 3.940 2.396 ( 0.806 -0.002 -2.979) 3.086 2.651 ( -2.152 0.181 -2.809) 3.543 2.764 ( 11.263 7.016 -1.433) 13.346 2.772 ( 1.633 0.506 -5.216) 5.489 2.823 ( -8.229 -1.898 -4.763) 9.695 2.896 ( -1.377 -0.081 1.991) 2.422 2.983 ( -11.970 4.942 3.640) 13.452 2.997 ( 5.988 2.590 -0.890) 6.585 3.022 ( 3.312 -0.823 3.584) 4.949 3.126 ( 1.315 1.729 1.382) 2.575 3.206 ( 4.426 -1.841 2.847) 5.575 3.259 ( 0.523 -2.078 3.899) 4.449 3.322 ( -0.995 -2.488 5.157) 5.811 3.353 ( 3.413 -0.319 6.174) 7.062 3.429 ( -2.746 -2.687 7.003) 7.988 3.493 ( -0.779 5.321 6.949) 8.787 3.531 ( -1.234 -0.615 4.972) 5.160 3.860 ( 0.667 2.468 -0.984) 2.740 3.902 ( -1.318 5.515 -1.891) 5.977 4.053 ( 2.544 0.789 -4.066) 4.861 4.090 ( -1.669 4.072 -3.173) 5.426 4.163 ( -1.036 1.548 0.784) 2.021 4.299 ( -1.192 1.240 1.274) 2.141 4.406 ( -0.214 -2.322 6.712) 7.106 4.467 ( -0.341 -1.685 3.860) 4.226 4.511 ( -2.740 -2.330 5.640) 6.689 4.563 ( 5.736 -9.145 4.257) 11.604 4.690 ( 0.609 0.105 0.853) 1.054 4.790 ( -0.648 2.080 2.563) 3.364 4.908 ( -0.233 -5.958 -2.069) 6.311 4.991 ( 1.622 -5.918 2.181) 6.512 5.087 ( 0.829 -1.920 -2.437) 3.212 5.150 ( -2.089 -6.361 0.711) 6.733 5.331 ( -5.283 -2.809 -1.433) 6.152 5.437 ( 4.119 1.823 -0.823) 4.579 5.483 ( 0.738 0.758 5.305) 5.410 5.593 ( 0.227 1.409 -1.890) 2.368 5.644 ( -3.821 3.034 -0.576) 4.913 5.808 ( 7.142 1.707 -5.588) 9.228 5.949 ( -0.451 0.415 -2.772) 2.839 6.009 ( -6.220 4.622 0.716) 7.782 6.142 ( 0.009 2.131 -0.903) 2.315 6.312 ( -1.353 1.888 -1.157) 2.595 6.373 ( 4.759 -1.403 -1.263) 5.120 6.497 ( 2.987 0.066 -4.889) 5.730 6.585 ( -0.484 -2.563 -1.363) 2.943 6.618 ( -2.412 -0.009 -2.564) 3.520 6.799 ( 0.121 -0.484 -0.877) 1.010 6.876 ( 1.539 1.917 0.493) 2.507 6.912 ( 1.971 -1.729 -3.832) 4.643 7.046 ( 2.229 0.993 -6.240) 6.700 7.106 ( -2.282 2.823 5.112) 6.270 7.224 ( 1.288 2.584 -0.450) 2.922 7.314 ( -3.266 1.708 0.072) 3.687 7.476 ( -0.105 -1.441 -0.181) 1.456 7.578 ( -2.025 1.801 -0.047) 2.710 7.706 ( 0.188 -2.568 -1.329) 2.898 7.834 ( -4.154 2.558 -0.026) 4.878 7.869 ( -0.269 3.097 -7.030) 7.686 7.915 ( 0.413 1.304 -3.384) 3.650 8.109 ( 3.442 -4.003 -2.127) 5.692 8.203 ( -1.713 -5.753 -0.115) 6.004 8.355 ( 0.223 -1.662 -0.107) 1.680 8.387 ( -0.489 0.704 0.809) 1.178 8.461 ( -4.548 -3.123 3.325) 6.441 8.479 ( 0.142 -1.749 -2.517) 3.068 8.671 ( 3.765 -7.158 -0.083) 8.089 8.775 ( -0.176 0.152 -0.385) 0.450 8.899 ( 5.003 -1.070 -3.777) 6.359 9.178 ( 1.992 0.587 4.168) 4.657 9.295 ( -1.188 -0.641 2.947) 3.241 9.497 ( -4.401 0.903 3.435) 5.656 9.565 ( 3.104 -0.622 2.826) 4.243 9.677 ( -0.687 3.978 3.340) 5.239 9.764 ( -1.272 1.615 2.838) 3.504 9.874 ( 0.822 -0.705 -1.268) 1.667 9.929 ( -0.343 -1.620 -1.263) 2.083 12.969 ( -1.049 0.168 1.486) 1.827 13.001 ( 1.851 -0.723 1.634) 2.573 13.092 ( 1.131 0.556 -0.835) 1.512 13.125 ( -1.412 -0.246 -0.798) 1.641 13.716 ( -0.497 0.432 3.424) 3.487 13.767 ( 0.066 -0.818 3.973) 4.057 13.826 ( 0.466 2.331 1.988) 3.099 13.996 ( -0.656 1.742 -1.447) 2.358 14.061 ( -0.394 -2.072 -2.316) 3.132 14.152 ( 0.063 1.489 -2.017) 2.508 14.271 ( -0.168 -5.456 0.865) 5.527 14.318 ( 0.195 -4.932 -0.060) 4.936 14.470 ( -0.843 1.712 0.555) 1.988 14.530 ( 0.703 3.671 -1.808) 4.152 14.643 ( 0.754 2.022 1.816) 2.820 14.738 ( -1.828 -2.977 0.004) 3.493 14.923 ( 1.673 -0.102 0.597) 1.779 15.019 ( 2.378 1.623 -0.882) 3.011 15.035 ( 3.514 -1.999 -0.868) 4.135 15.162 ( -5.983 1.023 1.009) 6.153 15.220 ( -0.636 -2.195 5.119) 5.606 15.381 ( -0.048 4.115 0.565) 4.154 15.423 ( -1.443 2.040 2.184) 3.318 15.595 ( 0.209 6.259 -2.728) 6.831 15.762 ( 6.963 7.081 -2.032) 10.137 15.886 ( -2.654 2.648 1.645) 4.094 15.981 ( -2.039 5.087 -0.092) 5.481 16.140 ( -0.020 0.766 -0.626) 0.990 16.700 ( 7.066 -2.827 1.523) 7.761 16.885 ( -6.510 -4.397 0.071) 7.856 17.031 ( -11.440 -5.771 -7.583) 14.888 17.139 ( 9.447 -8.192 -3.669) 13.032 21.114 ( -0.208 5.152 0.045) 5.156 21.184 ( -0.439 9.053 -1.258) 9.150 21.475 ( -0.157 1.507 1.029) 1.832 21.512 ( -0.150 3.627 1.736) 4.024 21.594 ( 0.016 -5.271 1.457) 5.469 21.725 ( 3.343 -1.177 1.840) 3.993 21.753 ( -5.460 1.555 1.455) 5.861 21.946 ( 4.740 -1.919 1.284) 5.272 22.338 ( -0.243 1.421 -0.008) 1.441 22.420 ( -0.034 -0.173 -1.358) 1.369 22.483 ( 0.357 -0.330 -0.717) 0.866 22.572 ( 1.145 0.203 0.258) 1.191 22.779 ( -0.114 2.533 3.282) 4.147 22.930 ( -0.627 0.102 1.351) 1.493 23.191 ( 2.475 -2.356 -4.431) 5.595 23.199 ( -2.203 -2.871 -3.395) 4.962 24.098 ( -1.916 -0.187 0.477) 1.984 24.183 ( -3.844 -2.171 -3.929) 5.910 24.278 ( 7.704 -1.941 -3.554) 8.703 24.281 ( -0.962 -0.649 -0.321) 1.204 24.375 ( 3.233 -0.784 1.831) 3.797 24.473 ( -2.174 -0.424 -0.285) 2.233 24.500 ( 0.509 1.282 -1.775) 2.248 24.545 ( -0.837 0.595 -0.605) 1.193 24.705 ( -1.164 0.343 4.027) 4.206 24.754 ( -0.566 0.676 3.770) 3.872 24.846 ( 2.086 -0.830 0.190) 2.253 24.878 ( -2.851 -1.453 1.302) 3.454 25.442 ( -0.570 0.447 1.042) 1.269 25.496 ( 1.291 -0.832 2.246) 2.721 25.670 ( 2.448 0.262 -4.525) 5.151 25.726 ( -3.128 -1.371 -2.843) 4.444 ======================= Grid point 45 (23/48) ======================= q-point: (-0.33 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( -16.413 14.443 0.494) 21.869 1.212 ( -15.581 7.616 8.251) 19.205 1.503 ( 2.897 3.982 -18.900) 19.531 1.628 ( 9.053 0.490 -0.212) 9.069 1.685 ( -5.620 0.642 0.859) 5.722 1.751 ( 0.340 -0.322 1.243) 1.328 1.898 ( -3.158 0.644 1.845) 3.714 1.951 ( 3.652 -4.514 -12.931) 14.175 2.082 ( 1.128 -3.622 1.443) 4.059 2.109 ( 8.168 3.248 2.301) 9.086 2.162 ( -1.740 2.019 0.484) 2.709 2.205 ( -2.164 0.824 1.955) 3.031 2.238 ( -21.299 11.409 3.744) 24.450 2.280 ( 6.779 -0.094 0.708) 6.817 2.356 ( 0.680 1.332 1.170) 1.898 2.413 ( -1.025 -0.123 0.133) 1.041 2.567 ( 5.367 -3.101 -2.380) 6.640 2.646 ( -3.131 -3.111 -9.530) 10.502 2.749 ( -3.604 -5.375 -2.935) 7.106 2.824 ( 0.613 2.622 0.706) 2.784 2.885 ( 2.533 2.599 -2.615) 4.473 2.917 ( 1.906 1.912 6.128) 6.696 3.062 ( -0.936 -2.312 0.527) 2.550 3.108 ( 0.375 0.639 -5.901) 5.947 3.124 ( -2.416 0.241 2.260) 3.317 3.236 ( -1.070 -3.303 0.375) 3.492 3.296 ( 1.093 -3.707 5.522) 6.740 3.339 ( 4.331 -5.258 6.821) 9.640 3.386 ( 0.619 -0.949 4.335) 4.481 3.481 ( 5.200 0.150 8.366) 9.852 3.625 ( 10.231 5.448 1.047) 11.638 3.696 ( 12.620 1.443 5.020) 13.658 3.811 ( 1.637 6.199 1.623) 6.614 3.905 ( -1.138 5.213 -2.583) 5.928 4.010 ( -4.692 2.601 -5.695) 7.824 4.063 ( -5.092 1.673 1.888) 5.683 4.106 ( 0.099 3.697 -2.085) 4.245 4.263 ( -8.791 -4.499 3.476) 10.469 4.343 ( 1.255 -1.536 3.305) 3.855 4.427 ( 1.075 1.587 7.347) 7.593 4.502 ( 0.056 -0.321 4.634) 4.645 4.683 ( 2.147 0.192 -0.083) 2.157 4.806 ( 7.324 -1.674 5.392) 9.248 4.846 ( 7.658 -6.304 0.139) 9.920 4.888 ( -1.509 -8.708 -0.326) 8.844 5.034 ( 1.926 -1.728 -1.832) 3.170 5.120 ( 1.890 -5.985 0.305) 6.283 5.136 ( 0.178 -5.612 -0.989) 5.701 5.234 ( -3.067 0.068 -0.381) 3.092 5.368 ( -6.844 7.345 -0.285) 10.043 5.491 ( -7.250 2.976 5.374) 9.503 5.526 ( -1.575 2.637 -0.549) 3.120 5.669 ( 5.438 3.774 -1.732) 6.842 5.870 ( -4.381 0.896 4.110) 6.074 5.884 ( -0.155 -1.929 -7.023) 7.284 6.020 ( 4.230 1.497 -2.524) 5.148 6.120 ( -2.412 0.288 -3.470) 4.235 6.232 ( -6.222 0.948 -1.363) 6.440 6.372 ( -6.850 -4.232 -3.337) 8.716 6.462 ( -0.944 -1.898 -2.992) 3.667 6.582 ( -0.849 0.349 -1.651) 1.889 6.638 ( 3.165 5.456 -0.163) 6.310 6.824 ( 1.130 -2.554 -1.722) 3.281 6.883 ( 1.716 4.139 -0.028) 4.480 6.978 ( 5.180 -1.484 -3.601) 6.481 7.059 ( -2.343 -0.123 4.453) 5.034 7.089 ( -1.339 -3.709 -4.488) 5.974 7.266 ( 6.274 1.969 -1.449) 6.733 7.349 ( 4.046 5.406 -0.784) 6.798 7.470 ( -1.252 0.639 1.218) 1.860 7.521 ( -3.867 2.004 0.566) 4.392 7.705 ( 0.661 -3.341 -1.779) 3.843 7.763 ( -3.559 0.881 -0.629) 3.720 7.858 ( -0.563 3.556 -7.247) 8.093 7.903 ( -1.694 -0.705 -4.558) 4.913 8.074 ( -5.314 -4.970 1.206) 7.375 8.188 ( -1.283 -3.011 -1.437) 3.574 8.328 ( -3.273 1.352 -1.504) 3.848 8.392 ( 1.300 -0.554 0.177) 1.425 8.419 ( 1.349 -0.098 0.426) 1.418 8.519 ( 2.640 -2.968 -0.502) 4.003 8.737 ( 2.252 -8.798 -0.236) 9.085 8.821 ( 5.805 -1.186 1.008) 6.010 8.967 ( 1.569 -2.687 -4.757) 5.684 9.146 ( -5.423 3.048 4.611) 7.744 9.292 ( 0.901 0.086 2.897) 3.035 9.423 ( -3.395 0.627 1.484) 3.758 9.551 ( -2.416 1.690 3.136) 4.304 9.730 ( 3.086 2.314 1.928) 4.313 9.781 ( 3.291 0.885 3.548) 4.920 9.834 ( -2.642 0.440 -0.192) 2.685 9.965 ( 2.606 -2.378 -0.975) 3.660 12.941 ( -0.800 1.256 2.748) 3.125 13.054 ( 2.184 -1.815 0.634) 2.910 13.112 ( 1.628 0.925 0.334) 1.902 13.151 ( 3.503 -0.207 -1.739) 3.916 13.721 ( 1.046 0.260 3.646) 3.802 13.794 ( 2.867 -0.953 5.637) 6.396 13.865 ( 3.346 1.598 2.259) 4.341 13.982 ( -0.764 2.254 -1.803) 2.986 14.087 ( 3.068 -1.764 -2.549) 4.361 14.143 ( -0.767 1.409 -1.382) 2.117 14.266 ( -0.515 -5.608 0.659) 5.671 14.317 ( -0.296 -5.152 -0.156) 5.163 14.442 ( -2.193 0.132 0.372) 2.229 14.506 ( -3.493 2.260 -0.576) 4.200 14.622 ( -2.828 1.688 1.672) 3.694 14.692 ( -2.465 -0.441 -0.659) 2.589 14.876 ( -5.288 1.790 0.899) 5.655 15.043 ( 0.421 1.842 2.589) 3.205 15.071 ( -3.138 -3.269 1.372) 4.734 15.139 ( 5.554 -1.575 -5.359) 7.877 15.159 ( -4.310 -0.270 5.643) 7.106 15.363 ( -1.161 5.771 0.850) 5.948 15.421 ( 0.907 1.492 1.346) 2.205 15.597 ( -0.749 6.153 -2.007) 6.516 15.868 ( 0.260 4.291 2.772) 5.115 15.889 ( 4.629 0.905 -1.269) 4.885 15.963 ( 1.508 2.071 -2.300) 3.443 16.133 ( -1.481 0.047 0.047) 1.483 16.546 ( -13.594 0.929 1.308) 13.689 16.793 ( -12.296 0.178 -12.857) 17.791 17.023 ( 11.510 -5.615 -0.058) 12.807 17.317 ( 8.620 -9.363 0.042) 12.727 21.108 ( -0.332 5.030 -0.153) 5.043 21.171 ( -0.768 7.920 -1.381) 8.076 21.466 ( -1.510 0.400 1.094) 1.907 21.507 ( -1.517 0.553 3.251) 3.630 21.561 ( 0.412 1.155 -0.540) 1.340 21.676 ( -2.737 2.999 -0.270) 4.069 21.841 ( 7.068 -1.966 1.778) 7.549 22.068 ( 7.741 -1.996 3.681) 8.801 22.326 ( -0.946 1.298 0.151) 1.613 22.416 ( -0.358 -0.899 -1.925) 2.155 22.512 ( 2.338 0.423 -0.065) 2.377 22.611 ( 2.834 -0.298 -1.138) 3.068 22.782 ( 0.402 2.587 3.927) 4.720 22.916 ( -0.415 0.080 2.694) 2.727 23.166 ( -1.201 -1.727 -3.113) 3.757 23.254 ( 4.407 -2.897 -4.672) 7.045 23.987 ( -8.181 -2.366 -2.154) 8.785 24.025 ( -10.621 -3.762 -7.182) 13.362 24.291 ( 0.355 0.927 3.323) 3.468 24.429 ( 2.913 0.508 -0.819) 3.068 24.439 ( 4.491 -3.051 -0.993) 5.520 24.457 ( 2.031 -0.764 1.976) 2.934 24.502 ( 0.231 1.016 0.149) 1.052 24.574 ( 3.047 -0.059 -1.156) 3.259 24.692 ( -0.204 1.869 2.185) 2.882 24.754 ( 0.567 0.200 5.095) 5.131 24.834 ( -0.612 0.773 0.365) 1.051 24.909 ( 3.966 -1.412 0.629) 4.257 25.418 ( -1.797 0.789 0.766) 2.106 25.496 ( -1.345 -1.114 2.331) 2.913 25.610 ( -6.258 0.415 -2.284) 6.675 25.709 ( -1.175 -2.587 -5.965) 6.608 ======================= Grid point 46 (24/48) ======================= q-point: (-0.17 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.662 ( -6.904 20.745 6.480) 22.804 0.910 ( -15.119 13.979 11.733) 23.699 1.460 ( -18.825 14.192 10.777) 25.922 1.533 ( 0.613 4.903 -13.888) 14.740 1.711 ( -8.748 1.392 0.386) 8.866 1.737 ( -3.300 0.290 1.473) 3.625 1.805 ( 3.299 2.558 4.633) 6.236 1.900 ( 4.059 4.242 6.622) 8.850 2.008 ( -0.832 0.107 -7.176) 7.224 2.079 ( -5.835 1.385 4.252) 7.352 2.116 ( 1.423 -6.830 -0.130) 6.977 2.212 ( 1.156 1.754 3.082) 3.730 2.331 ( 7.036 -2.907 0.920) 7.669 2.359 ( 0.105 0.509 -3.650) 3.687 2.426 ( 7.223 -5.694 -0.893) 9.240 2.539 ( 9.661 0.277 -1.226) 9.743 2.576 ( -0.709 -3.428 -6.768) 7.620 2.648 ( 2.456 -6.125 -11.667) 13.404 2.720 ( -1.134 -3.401 -4.025) 5.390 2.844 ( 1.035 -0.945 0.030) 1.402 2.953 ( 5.091 3.165 -1.334) 6.142 2.960 ( 0.183 0.842 2.371) 2.522 3.034 ( -0.051 4.188 0.683) 4.243 3.050 ( -3.384 -4.127 -3.259) 6.254 3.102 ( -1.264 -2.570 1.719) 3.340 3.177 ( -4.852 -2.824 -0.691) 5.656 3.279 ( -1.594 -1.922 4.029) 4.740 3.426 ( 3.658 1.618 8.327) 9.238 3.439 ( 3.206 -4.934 -0.080) 5.885 3.598 ( 4.386 1.641 9.716) 10.785 3.706 ( 0.034 -0.649 6.416) 6.449 3.807 ( 4.210 0.093 0.431) 4.233 3.837 ( -4.936 5.841 -2.602) 8.078 3.878 ( 0.649 2.119 4.013) 4.584 3.954 ( -2.318 7.677 -1.148) 8.101 4.045 ( -0.327 1.086 2.952) 3.163 4.089 ( -0.629 4.314 1.763) 4.703 4.224 ( 4.565 -1.326 -2.469) 5.357 4.412 ( 7.716 1.201 2.006) 8.063 4.453 ( 0.208 1.804 3.727) 4.145 4.490 ( -0.942 -1.832 4.015) 4.513 4.706 ( 0.578 -3.938 -0.313) 3.993 4.843 ( -2.941 -11.139 -0.000) 11.521 4.896 ( 3.415 -2.853 5.959) 7.438 4.976 ( 1.838 -3.794 -5.854) 7.214 5.025 ( -3.579 2.820 1.011) 4.667 5.108 ( -1.064 -0.371 -1.519) 1.891 5.172 ( 1.812 -0.822 0.043) 1.990 5.230 ( 1.160 1.169 -1.619) 2.309 5.295 ( 1.346 2.030 1.432) 2.825 5.375 ( -0.764 2.966 3.685) 4.791 5.515 ( 0.269 7.589 0.169) 7.595 5.754 ( -5.982 1.031 0.385) 6.082 5.781 ( 3.480 -3.539 2.704) 5.652 5.880 ( 0.787 1.073 -4.489) 4.683 6.021 ( -8.534 -1.682 -6.085) 10.615 6.082 ( -4.227 -2.886 1.115) 5.238 6.119 ( 1.278 3.828 1.240) 4.222 6.240 ( -3.479 -1.690 -9.565) 10.318 6.484 ( 1.918 -2.917 -3.159) 4.708 6.560 ( -1.803 2.808 -3.766) 5.032 6.653 ( -0.587 6.536 4.935) 8.211 6.846 ( -1.423 -9.575 -0.349) 9.686 6.916 ( 0.910 4.406 -0.202) 4.503 7.003 ( 1.633 -3.392 -1.529) 4.063 7.073 ( 2.395 0.683 -4.567) 5.202 7.141 ( 6.630 -1.493 -1.757) 7.019 7.353 ( -0.782 3.321 -0.794) 3.503 7.395 ( 2.172 -1.794 2.383) 3.690 7.429 ( -2.459 2.320 2.113) 3.986 7.470 ( -0.795 2.789 0.294) 2.914 7.668 ( -5.567 0.504 -3.476) 6.583 7.722 ( 0.013 -5.040 -2.084) 5.454 7.856 ( -0.754 -0.230 -0.989) 1.265 7.889 ( 1.723 2.424 -7.458) 8.029 7.969 ( -4.137 -3.853 0.044) 5.654 8.152 ( -1.130 1.120 -1.703) 2.331 8.297 ( 0.381 2.784 -2.929) 4.058 8.417 ( 0.680 -0.883 0.112) 1.120 8.447 ( 0.713 -0.219 -0.438) 0.865 8.566 ( 2.134 -2.809 -0.703) 3.597 8.750 ( -0.866 -7.255 0.735) 7.343 8.919 ( -2.054 -2.543 -2.164) 3.920 8.990 ( 3.945 -4.457 0.773) 6.003 9.024 ( -4.315 4.578 1.555) 6.480 9.290 ( -2.091 -2.558 2.387) 4.076 9.373 ( -1.005 7.038 -1.623) 7.292 9.514 ( -1.389 3.521 -0.807) 3.870 9.764 ( 0.567 1.649 1.941) 2.609 9.771 ( -1.411 2.052 1.703) 3.017 9.894 ( 5.301 -1.348 4.129) 6.853 10.011 ( 2.082 -2.978 -0.635) 3.689 12.948 ( 1.267 1.105 3.989) 4.329 13.084 ( 1.245 -0.309 -0.876) 1.553 13.148 ( 1.496 -0.515 1.485) 2.170 13.227 ( 3.977 -0.460 -2.234) 4.584 13.752 ( 1.831 -0.039 4.329) 4.700 13.883 ( 6.003 -4.185 9.468) 11.967 13.932 ( 2.965 1.157 1.757) 3.636 13.976 ( 0.324 1.988 -1.322) 2.409 14.133 ( 0.643 1.131 -0.688) 1.472 14.169 ( 4.655 -0.480 -1.493) 4.912 14.249 ( -1.348 -4.614 0.303) 4.816 14.311 ( -0.239 -5.031 -0.607) 5.073 14.384 ( -3.999 -0.455 0.309) 4.037 14.421 ( -3.852 -1.060 0.747) 4.064 14.537 ( -5.337 1.471 -0.111) 5.537 14.649 ( -1.257 0.340 0.347) 1.347 14.837 ( 1.837 3.118 -0.529) 3.657 14.947 ( -6.390 -1.366 3.933) 7.626 15.069 ( -1.205 -4.042 3.905) 5.748 15.115 ( -0.911 1.002 4.247) 4.458 15.197 ( 0.111 0.709 -2.844) 2.933 15.360 ( 0.944 2.284 2.552) 3.552 15.467 ( 4.588 2.075 -1.882) 5.376 15.576 ( -0.699 3.232 -1.552) 3.653 15.841 ( -3.755 2.287 -1.382) 4.609 15.900 ( -6.597 -7.140 -0.623) 9.741 16.009 ( 3.221 -0.060 -2.330) 3.976 16.091 ( -2.038 -0.923 1.346) 2.611 16.304 ( -10.218 10.045 -1.505) 14.407 16.606 ( -5.876 14.331 -14.609) 21.292 17.208 ( 7.331 -6.570 1.807) 10.008 17.459 ( 5.981 -10.604 1.839) 12.312 21.104 ( -0.181 4.891 -0.458) 4.916 21.163 ( 0.086 6.690 -2.024) 6.990 21.405 ( -3.291 -1.455 2.759) 4.534 21.505 ( 1.019 -0.067 0.807) 1.302 21.589 ( 0.032 0.790 -0.227) 0.822 21.659 ( 2.284 11.685 -3.877) 12.522 21.964 ( 5.374 -2.382 2.410) 6.353 22.218 ( 6.694 -1.927 3.815) 7.942 22.308 ( -0.561 1.567 0.344) 1.700 22.401 ( -1.386 -1.829 -3.083) 3.843 22.556 ( 1.910 1.006 -0.816) 2.308 22.669 ( 2.785 -1.207 -2.897) 4.196 22.796 ( 0.699 1.410 1.726) 2.336 22.961 ( 6.952 -0.876 8.029) 10.656 23.161 ( 1.488 0.404 -1.862) 2.417 23.350 ( 4.666 -3.706 -3.378) 6.850 23.763 ( -17.161 -4.785 -9.930) 20.396 23.827 ( -8.174 -4.467 -5.319) 10.727 24.294 ( -0.087 1.090 3.881) 4.032 24.420 ( -0.806 -2.384 3.451) 4.271 24.471 ( -0.050 0.850 1.010) 1.321 24.512 ( 1.082 -0.930 -0.268) 1.452 24.560 ( 3.915 -0.034 -0.813) 3.999 24.605 ( 0.370 -1.019 0.876) 1.394 24.686 ( -0.784 2.305 1.724) 2.984 24.773 ( 0.897 -0.796 4.424) 4.584 24.914 ( 10.155 3.513 1.559) 10.857 24.998 ( 5.236 -0.045 1.569) 5.466 25.385 ( -1.241 0.810 0.163) 1.491 25.445 ( -4.083 -1.285 0.976) 4.390 25.492 ( -5.115 0.584 -1.229) 5.293 25.617 ( -9.125 -4.185 -6.424) 11.918 ======================= Grid point 47 (25/48) ======================= q-point: ( 0.00 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( 2.771 21.623 4.026) 22.168 1.134 ( -0.878 21.610 3.213) 21.865 1.468 ( -0.239 -12.342 -0.013) 12.344 1.498 ( 0.115 -10.178 -1.095) 10.237 1.716 ( 2.276 4.200 2.264) 5.286 1.775 ( 5.061 2.639 0.154) 5.710 1.801 ( -5.187 2.515 0.671) 5.804 1.926 ( 0.379 -6.022 -0.565) 6.060 2.037 ( 0.707 5.415 1.106) 5.571 2.061 ( 1.181 1.681 -5.537) 5.905 2.118 ( -1.364 6.027 7.562) 9.766 2.274 ( -1.253 -6.680 0.529) 6.817 2.342 ( 1.192 5.845 -2.215) 6.363 2.402 ( 0.444 5.915 1.806) 6.201 2.443 ( 2.652 -0.625 -9.487) 9.871 2.517 ( 2.899 -0.742 -5.903) 6.618 2.581 ( 2.400 0.337 -5.860) 6.342 2.645 ( -3.175 -0.415 -6.054) 6.848 2.678 ( -2.655 -0.418 -3.482) 4.399 2.789 ( -1.230 -0.044 1.544) 1.975 2.880 ( -0.457 -7.089 4.230) 8.267 2.889 ( 1.138 -10.761 6.806) 12.784 2.978 ( -3.097 -0.173 -1.468) 3.432 3.007 ( -1.353 -3.259 -1.369) 3.785 3.090 ( -1.071 0.238 4.610) 4.739 3.105 ( -1.044 -1.273 3.451) 3.824 3.272 ( -0.029 2.589 6.702) 7.185 3.357 ( 0.547 -5.282 7.947) 9.558 3.542 ( 1.854 3.162 3.812) 5.288 3.634 ( -0.756 -5.901 2.814) 6.582 3.721 ( 3.045 3.910 0.060) 4.957 3.793 ( 0.589 -1.285 -6.619) 6.768 3.915 ( -2.064 7.724 6.700) 10.432 3.974 ( -0.097 8.318 -2.538) 8.697 4.042 ( 2.634 -1.882 5.083) 6.027 4.134 ( -2.087 9.461 0.018) 9.688 4.229 ( 4.201 -6.249 3.703) 8.391 4.266 ( 1.408 3.425 -1.504) 3.997 4.333 ( -5.140 4.149 10.007) 11.990 4.405 ( -1.842 -3.777 4.157) 5.911 4.470 ( 0.243 -10.829 2.075) 11.029 4.516 ( -1.765 -9.594 4.720) 10.837 4.738 ( -0.944 8.700 -1.482) 8.876 4.923 ( -1.239 -6.960 -0.807) 7.116 4.960 ( 1.587 2.419 0.048) 2.894 5.030 ( 0.653 -3.718 -4.969) 6.240 5.111 ( -0.381 4.601 1.873) 4.982 5.193 ( 1.729 -2.605 -0.908) 3.256 5.287 ( -0.407 1.751 0.819) 1.975 5.317 ( -0.863 -1.036 1.302) 1.874 5.530 ( -2.405 9.393 -1.589) 9.825 5.650 ( -0.233 -0.744 0.725) 1.064 5.685 ( -0.802 5.620 -1.411) 5.850 5.768 ( -4.086 -2.581 -0.868) 4.910 5.807 ( 7.091 0.973 -2.941) 7.738 5.918 ( 3.790 -5.897 -7.588) 10.330 6.066 ( 0.445 4.463 -5.844) 7.367 6.180 ( 1.654 -1.836 -1.457) 2.869 6.277 ( -2.784 2.369 -7.868) 8.676 6.380 ( -0.076 -5.297 -7.031) 8.804 6.498 ( -2.653 1.154 -0.533) 2.942 6.620 ( 0.838 -6.487 -0.058) 6.541 6.863 ( -1.130 12.427 -0.271) 12.481 6.952 ( -0.661 -0.766 -1.546) 1.848 6.985 ( -1.905 1.013 -0.301) 2.179 7.142 ( -0.786 -3.811 -0.343) 3.906 7.245 ( 4.178 -3.774 -0.730) 5.677 7.258 ( 3.270 -2.511 1.200) 4.294 7.380 ( -2.114 3.285 4.033) 5.614 7.439 ( 0.124 -1.565 3.458) 3.798 7.564 ( -1.562 4.062 -1.138) 4.498 7.584 ( 0.873 -1.935 -1.597) 2.657 7.626 ( 0.314 -1.361 -4.673) 4.878 7.664 ( -0.820 -5.251 -0.168) 5.318 7.946 ( -0.454 0.507 -2.529) 2.619 7.963 ( 1.704 -0.918 -5.836) 6.148 8.299 ( 4.785 4.820 -2.005) 7.082 8.365 ( 2.648 -1.227 -1.432) 3.251 8.384 ( -1.317 0.689 2.281) 2.722 8.423 ( -0.410 -3.231 2.172) 3.915 8.535 ( -1.042 2.584 -3.594) 4.548 8.629 ( 0.495 -5.536 -2.647) 6.156 8.847 ( -4.562 2.122 3.286) 6.009 8.888 ( -5.578 -1.061 2.544) 6.222 9.134 ( 2.419 2.293 0.466) 3.365 9.195 ( 0.565 -3.282 -0.727) 3.409 9.508 ( 0.245 4.533 -0.324) 4.552 9.556 ( 1.682 -0.503 -0.889) 1.968 9.810 ( -0.740 3.736 0.652) 3.864 9.831 ( 0.084 2.912 0.956) 3.066 9.900 ( 0.231 -1.937 2.653) 3.293 9.950 ( 0.257 -4.891 0.356) 4.911 13.000 ( -0.370 3.083 3.327) 4.551 13.069 ( -0.202 -3.331 1.239) 3.560 13.166 ( -0.677 2.873 -0.184) 2.957 13.232 ( 0.038 -3.165 -1.350) 3.441 13.785 ( 0.360 1.080 5.295) 5.416 13.830 ( -0.186 -3.639 7.223) 8.090 14.022 ( -0.444 4.287 0.306) 4.320 14.041 ( 0.614 3.494 -1.229) 3.755 14.127 ( -0.402 -3.303 0.052) 3.328 14.159 ( 0.289 -4.588 -1.274) 4.770 14.243 ( 0.193 0.275 1.025) 1.078 14.253 ( 0.979 -1.125 0.301) 1.522 14.305 ( -0.017 -0.333 0.164) 0.372 14.326 ( 1.395 -2.304 0.576) 2.754 14.529 ( 0.527 3.246 -0.585) 3.340 14.597 ( 0.232 -3.515 0.981) 3.657 14.864 ( -2.571 2.755 -0.176) 3.773 14.918 ( -0.385 -1.988 -0.442) 2.073 14.981 ( -0.438 1.706 2.998) 3.477 15.035 ( -1.514 -2.798 1.403) 3.477 15.316 ( 1.776 5.375 1.658) 5.898 15.391 ( 1.529 -1.574 3.738) 4.335 15.541 ( 0.095 3.446 -2.359) 4.177 15.637 ( -2.681 -3.734 -0.641) 4.642 15.691 ( 2.944 3.943 -0.210) 4.925 15.783 ( -1.528 -3.761 -1.200) 4.233 16.008 ( -0.691 0.699 -1.144) 1.508 16.042 ( 1.725 -2.382 -0.296) 2.956 16.596 ( -0.545 18.240 -1.739) 18.331 16.822 ( -0.266 1.925 -9.376) 9.575 17.139 ( 0.942 -2.827 3.287) 4.437 17.279 ( 0.206 -11.574 0.622) 11.593 21.217 ( -0.158 5.849 0.184) 5.854 21.273 ( 0.854 3.064 -1.311) 3.440 21.335 ( 0.023 -0.712 2.272) 2.381 21.429 ( 1.066 -6.778 0.286) 6.867 21.687 ( -0.500 7.850 2.397) 8.223 21.827 ( 0.898 -4.311 1.920) 4.804 22.050 ( -0.553 5.784 -4.476) 7.334 22.170 ( -4.092 -5.316 -1.168) 6.810 22.338 ( 0.804 1.862 0.039) 2.029 22.366 ( 1.933 -0.896 -1.819) 2.801 22.594 ( -1.260 1.812 -3.245) 3.925 22.644 ( -1.573 -2.936 -4.023) 5.223 22.860 ( 1.479 3.851 3.052) 5.131 22.953 ( 0.983 -5.213 2.628) 5.920 23.250 ( -7.692 2.226 -0.402) 8.018 23.294 ( 2.688 -1.901 0.748) 3.376 23.567 ( 2.258 1.193 -9.430) 9.769 23.622 ( 1.636 -4.563 -9.509) 10.673 24.306 ( -1.512 1.754 3.774) 4.428 24.348 ( -1.702 -2.191 3.707) 4.630 24.494 ( 0.472 1.150 1.062) 1.635 24.514 ( 0.644 -0.782 0.414) 1.095 24.592 ( 0.117 0.910 0.711) 1.161 24.609 ( 0.378 -0.643 0.196) 0.772 24.721 ( -0.334 2.276 3.142) 3.894 24.760 ( -0.174 -1.569 3.760) 4.078 25.080 ( 1.405 2.008 1.379) 2.812 25.126 ( 1.945 -2.586 0.770) 3.327 25.345 ( -1.187 0.305 -0.500) 1.324 25.362 ( -1.330 -1.369 -1.095) 2.201 25.445 ( 0.853 1.335 -0.159) 1.592 25.464 ( 0.264 -0.440 -0.588) 0.780 ======================= Grid point 48 (26/48) ======================= q-point: ( 0.17 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( 4.253 21.978 2.222) 22.496 1.220 ( 9.470 17.412 4.884) 20.414 1.528 ( 4.764 -11.457 -3.522) 12.898 1.561 ( 5.154 -11.975 -3.346) 13.459 1.700 ( -1.600 1.759 -0.167) 2.383 1.701 ( -4.494 -0.548 0.902) 4.616 1.899 ( 5.630 2.689 -1.822) 6.500 1.935 ( -1.169 2.264 1.754) 3.094 2.043 ( 1.279 0.593 -2.835) 3.166 2.102 ( 0.015 -0.038 5.102) 5.103 2.148 ( 5.456 5.651 -0.922) 7.909 2.240 ( -1.891 -2.902 -0.141) 3.466 2.353 ( -1.150 2.729 1.779) 3.455 2.413 ( -1.368 5.090 -0.696) 5.316 2.445 ( -1.754 0.886 -0.871) 2.149 2.512 ( -6.261 0.209 -4.950) 7.984 2.560 ( 0.550 0.207 -9.973) 9.990 2.624 ( -0.385 -1.309 -7.773) 7.892 2.647 ( 3.377 4.244 -1.657) 5.671 2.807 ( 4.793 -1.922 1.441) 5.361 2.893 ( 0.403 -3.355 -0.529) 3.420 2.923 ( -1.089 -0.293 3.344) 3.529 2.952 ( -3.523 -3.712 -1.157) 5.247 2.988 ( 7.110 -5.933 4.642) 10.359 3.070 ( 0.164 -3.869 6.631) 7.679 3.085 ( -1.079 -1.713 3.471) 4.019 3.251 ( -1.459 2.726 6.319) 7.035 3.333 ( -3.187 -5.355 8.884) 10.852 3.504 ( -6.011 -0.034 3.710) 7.063 3.527 ( -6.466 -0.951 -1.064) 6.622 3.764 ( -0.019 3.204 1.450) 3.517 3.799 ( -1.891 0.951 1.977) 2.896 3.964 ( 4.331 4.191 3.036) 6.748 4.001 ( 3.593 3.136 -2.390) 5.334 4.071 ( -2.627 8.753 -1.035) 9.198 4.112 ( 3.658 2.398 -0.188) 4.378 4.184 ( -5.418 2.913 2.084) 6.494 4.292 ( 1.114 -4.075 2.618) 4.969 4.330 ( 0.793 1.192 3.885) 4.140 4.436 ( 4.967 -0.265 5.555) 7.457 4.476 ( -0.628 -10.076 3.600) 10.718 4.486 ( -3.692 -0.818 1.167) 3.958 4.630 ( -6.099 0.081 0.323) 6.108 4.799 ( -8.676 -11.496 1.908) 14.528 4.991 ( -0.353 3.123 2.186) 3.828 5.072 ( 1.789 -2.788 -4.841) 5.866 5.113 ( -0.618 2.272 2.849) 3.696 5.167 ( -3.600 -1.907 -0.699) 4.134 5.238 ( -1.601 3.283 2.068) 4.198 5.285 ( -0.011 -2.488 1.704) 3.016 5.452 ( -3.796 6.734 -0.852) 7.778 5.600 ( -5.042 -5.613 -2.190) 7.857 5.706 ( 2.226 8.272 -3.407) 9.218 5.824 ( 5.228 -1.762 -3.870) 6.739 5.974 ( 6.132 3.005 -0.497) 6.847 6.014 ( 10.302 -2.056 -1.726) 10.646 6.138 ( 5.923 5.074 -5.208) 9.378 6.188 ( -1.100 2.771 -4.415) 5.327 6.242 ( 0.279 -3.840 -5.535) 6.742 6.369 ( -1.001 -8.464 -6.923) 10.980 6.475 ( 1.024 5.183 0.059) 5.283 6.624 ( -1.062 -5.611 -1.306) 5.858 6.848 ( -0.146 11.116 -1.828) 11.267 6.910 ( -2.325 -0.220 -4.538) 5.104 6.935 ( -3.312 1.246 0.407) 3.562 7.109 ( -1.616 -6.740 -0.641) 6.961 7.247 ( -4.125 1.006 2.609) 4.983 7.278 ( -1.556 -2.642 2.858) 4.191 7.420 ( 4.127 3.372 0.574) 5.360 7.482 ( 5.334 -3.276 2.459) 6.725 7.543 ( -1.707 1.868 0.013) 2.531 7.591 ( -0.244 -3.701 -0.782) 3.790 7.696 ( 7.520 0.328 -3.669) 8.374 7.728 ( 5.882 -2.422 -4.230) 7.639 7.938 ( -0.222 1.733 -3.559) 3.965 7.993 ( 0.985 -3.542 -3.717) 5.228 8.301 ( -2.890 3.447 1.530) 4.752 8.371 ( 0.143 -2.264 -1.441) 2.687 8.415 ( 0.810 0.509 1.721) 1.969 8.441 ( -1.038 -1.789 2.780) 3.465 8.526 ( 1.025 3.565 -1.951) 4.191 8.622 ( -1.819 -5.515 -3.535) 6.798 8.746 ( -3.044 2.208 0.902) 3.867 8.793 ( -2.854 -1.907 -1.149) 3.620 9.147 ( -0.407 3.373 2.686) 4.331 9.224 ( 1.135 -4.072 1.983) 4.669 9.524 ( 1.444 5.261 -0.324) 5.466 9.594 ( 1.524 -1.917 0.868) 2.598 9.786 ( -1.237 3.538 0.250) 3.756 9.824 ( -0.833 1.895 1.068) 2.330 9.879 ( -2.173 -0.782 2.431) 3.353 9.937 ( -1.362 -4.225 0.330) 4.452 12.982 ( -1.237 2.865 2.953) 4.297 13.045 ( -2.047 -3.173 1.164) 3.952 13.141 ( -1.689 2.969 -0.751) 3.497 13.204 ( -2.595 -2.944 -0.870) 4.019 13.773 ( -1.545 0.754 4.677) 4.983 13.803 ( -2.336 -2.340 5.954) 6.810 13.982 ( -3.089 4.942 0.151) 5.830 14.051 ( 0.597 2.933 -0.800) 3.098 14.093 ( -3.067 -3.672 -0.248) 4.791 14.163 ( 0.436 -5.759 -0.729) 5.821 14.199 ( -1.979 1.109 0.292) 2.287 14.228 ( -1.428 -1.886 0.904) 2.533 14.422 ( 8.268 1.165 -0.481) 8.364 14.440 ( 7.416 -0.381 -0.456) 7.440 14.561 ( 2.055 2.643 0.409) 3.373 14.622 ( 2.051 -3.579 2.498) 4.822 14.850 ( 1.272 2.214 -2.269) 3.416 14.896 ( -0.354 -1.766 -1.047) 2.084 14.997 ( -0.022 0.249 2.210) 2.224 15.019 ( 1.149 -1.189 1.233) 2.063 15.353 ( 1.802 4.477 2.497) 5.434 15.427 ( 1.106 -2.468 3.667) 4.557 15.539 ( -0.271 5.606 -0.641) 5.649 15.611 ( 0.435 0.324 -2.057) 2.128 15.775 ( 2.135 0.230 -1.480) 2.608 15.833 ( 8.232 -3.490 -0.487) 8.954 16.022 ( 2.254 0.909 -0.416) 2.466 16.077 ( 1.949 -3.050 0.814) 3.710 16.579 ( -0.945 16.347 -2.181) 16.519 16.803 ( -1.154 -0.956 -8.424) 8.556 17.102 ( -4.569 -2.523 2.849) 5.947 17.226 ( -5.524 -10.463 -0.104) 11.833 21.227 ( 1.104 6.442 0.043) 6.536 21.304 ( 2.234 2.846 -1.077) 3.775 21.359 ( 2.358 -0.883 2.378) 3.464 21.452 ( 1.197 -6.295 1.289) 6.536 21.667 ( -1.385 7.636 1.610) 7.926 21.821 ( -1.829 -6.795 2.871) 7.600 21.959 ( -8.120 5.798 -4.794) 11.069 22.031 ( -8.201 -1.685 -0.450) 8.385 22.363 ( 1.337 2.714 -0.484) 3.064 22.401 ( 1.240 -0.885 -1.612) 2.218 22.552 ( -2.751 0.890 -2.836) 4.051 22.588 ( -3.251 -2.441 -2.558) 4.803 22.878 ( -0.206 4.298 3.689) 5.668 22.946 ( -0.868 -1.208 3.258) 3.581 23.129 ( -2.695 2.918 -2.927) 4.934 23.237 ( -5.058 -6.281 -2.738) 8.516 23.748 ( 12.859 -1.191 -6.940) 14.661 23.770 ( 10.988 -3.127 -6.740) 13.265 24.277 ( -1.512 1.529 3.533) 4.136 24.314 ( -1.566 -2.013 3.204) 4.095 24.505 ( 0.216 1.635 0.758) 1.816 24.526 ( -0.056 -0.344 0.636) 0.725 24.577 ( -1.900 1.189 0.431) 2.282 24.593 ( -1.756 -0.177 0.267) 1.785 24.723 ( 0.618 1.145 2.423) 2.750 24.749 ( -0.920 -1.455 3.478) 3.881 25.005 ( -8.251 0.538 0.955) 8.324 25.020 ( -6.931 -0.790 1.166) 7.073 25.386 ( 2.777 0.020 0.193) 2.784 25.393 ( 2.999 -0.571 -0.012) 3.053 25.519 ( 5.742 1.946 -1.270) 6.194 25.568 ( 8.070 -3.119 -1.906) 8.859 ======================= Grid point 49 (27/48) ======================= q-point: ( 0.33 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( 6.861 15.327 0.870) 16.815 1.412 ( 9.076 11.682 5.027) 15.624 1.548 ( -3.450 -8.204 -4.975) 10.196 1.621 ( 1.318 -4.577 -9.465) 10.595 1.659 ( 1.332 0.557 -4.687) 4.904 1.726 ( 1.684 -3.253 -9.196) 9.899 1.882 ( -3.252 6.138 2.285) 7.312 1.940 ( -1.239 0.890 -4.618) 4.863 2.057 ( -1.943 -0.851 1.334) 2.506 2.088 ( 1.485 -3.632 -0.547) 3.962 2.182 ( -1.934 0.644 3.603) 4.140 2.219 ( -1.344 -5.356 0.068) 5.522 2.275 ( -6.770 2.261 1.301) 7.255 2.333 ( -1.290 -2.872 6.947) 7.627 2.401 ( -5.047 3.964 -3.602) 7.359 2.466 ( -0.936 1.382 -1.347) 2.144 2.625 ( 3.622 -1.612 -8.297) 9.195 2.632 ( 6.503 1.138 -7.503) 9.994 2.805 ( 6.869 9.855 1.125) 12.065 2.866 ( -2.479 -0.331 1.737) 3.045 2.883 ( 1.705 -0.034 2.741) 3.228 2.913 ( 0.328 0.111 -3.160) 3.179 2.971 ( 9.165 4.896 5.168) 11.605 3.065 ( 1.739 -1.266 5.206) 5.633 3.100 ( 3.401 -2.579 0.795) 4.342 3.148 ( 3.287 -0.536 3.506) 4.836 3.265 ( -1.677 -2.956 6.503) 7.338 3.273 ( 1.883 -2.264 5.017) 5.818 3.396 ( -4.053 -2.564 4.032) 6.265 3.422 ( -1.516 -3.850 2.154) 4.665 3.707 ( -6.276 5.287 0.956) 8.262 3.731 ( -5.639 1.786 1.089) 6.014 3.933 ( -5.863 6.483 0.291) 8.746 3.999 ( -5.365 5.028 -0.053) 7.353 4.047 ( 0.024 -0.132 -0.318) 0.346 4.149 ( -0.674 0.558 -2.002) 2.185 4.218 ( 4.154 0.654 -0.517) 4.237 4.272 ( -1.312 0.148 9.811) 9.900 4.325 ( 0.945 0.223 3.582) 3.711 4.387 ( -2.897 1.879 -0.219) 3.460 4.452 ( -0.555 -2.796 3.764) 4.722 4.497 ( -1.918 -11.558 3.184) 12.141 4.597 ( 4.132 0.974 2.658) 5.009 4.731 ( 0.063 -9.595 5.798) 11.211 4.952 ( -2.366 3.939 1.685) 4.894 5.003 ( -7.079 3.223 0.857) 7.825 5.056 ( -2.223 -4.930 -2.434) 5.931 5.083 ( -5.001 -4.793 1.558) 7.100 5.311 ( 3.442 3.878 -1.512) 5.401 5.372 ( 8.341 -1.346 -0.675) 8.475 5.394 ( -2.131 0.671 1.524) 2.705 5.518 ( -1.816 -7.344 0.126) 7.566 5.747 ( 1.622 8.280 -4.026) 9.349 5.854 ( -0.607 -1.081 -4.490) 4.658 6.066 ( 0.647 7.409 -2.747) 7.929 6.136 ( 0.150 -0.381 -3.972) 3.993 6.204 ( 3.534 3.182 -0.588) 4.791 6.240 ( 3.004 -1.052 -1.561) 3.545 6.318 ( 8.357 0.296 -5.719) 10.131 6.360 ( 2.794 -0.478 -5.990) 6.627 6.536 ( 3.384 -3.904 -0.685) 5.212 6.582 ( -2.292 -3.081 -2.003) 4.331 6.829 ( -1.947 2.442 -2.656) 4.099 6.855 ( -2.722 -0.091 -4.562) 5.314 6.924 ( 1.655 5.695 -2.628) 6.486 7.066 ( -3.303 -5.170 -1.929) 6.431 7.192 ( -0.872 1.859 3.687) 4.220 7.232 ( -2.074 -1.904 3.418) 4.428 7.453 ( -2.288 5.670 2.286) 6.528 7.495 ( -0.057 3.630 -0.195) 3.636 7.595 ( 1.147 -3.674 -0.277) 3.859 7.610 ( 4.836 -3.397 0.840) 5.969 7.829 ( 3.984 -0.735 -6.168) 7.380 7.836 ( 5.615 -1.972 -4.584) 7.511 7.937 ( 0.210 0.849 -3.276) 3.391 7.990 ( -0.956 -3.278 -2.918) 4.491 8.256 ( -1.891 5.496 3.285) 6.676 8.349 ( -2.486 -1.194 -0.991) 2.931 8.393 ( -1.383 -2.119 5.018) 5.620 8.426 ( 0.139 -3.861 2.654) 4.688 8.472 ( -3.818 2.426 -1.122) 4.661 8.558 ( -5.846 -5.201 0.494) 7.840 8.773 ( 4.747 1.591 -5.624) 7.530 8.807 ( 1.856 -1.798 -4.206) 4.937 9.156 ( 1.970 3.547 5.280) 6.659 9.239 ( 0.875 -4.346 4.836) 6.560 9.545 ( 0.351 3.115 0.889) 3.258 9.584 ( -2.579 -0.902 2.667) 3.818 9.777 ( -0.176 2.599 0.757) 2.713 9.805 ( -0.977 -0.104 1.482) 1.778 9.846 ( -0.376 1.737 0.616) 1.881 9.907 ( -1.692 -3.512 -0.118) 3.900 12.968 ( -0.038 1.715 2.004) 2.639 13.005 ( -1.902 -1.856 0.979) 2.832 13.112 ( -1.165 1.812 -0.816) 2.304 13.150 ( -2.665 -1.814 -0.496) 3.262 13.743 ( -1.328 0.560 3.779) 4.045 13.761 ( -1.734 -1.308 4.155) 4.689 13.924 ( -2.596 4.899 0.475) 5.564 14.026 ( -3.006 -4.654 -0.760) 5.592 14.065 ( 0.407 4.374 -0.209) 4.398 14.172 ( 0.101 -2.705 -0.420) 2.739 14.181 ( 0.020 -2.033 -0.594) 2.119 14.210 ( -0.487 -2.688 0.383) 2.759 14.533 ( 1.837 3.432 0.692) 3.954 14.554 ( 4.330 2.083 -1.882) 5.161 14.619 ( 4.127 0.560 -1.455) 4.412 14.658 ( 1.391 -4.057 1.386) 4.507 14.893 ( 2.414 0.964 -1.376) 2.941 14.921 ( 2.748 -1.702 -0.803) 3.331 15.005 ( 1.472 1.561 1.113) 2.417 15.059 ( 2.557 -3.606 1.580) 4.695 15.369 ( -0.784 3.767 4.050) 5.587 15.420 ( -1.104 -0.800 2.211) 2.598 15.529 ( -0.641 6.129 0.079) 6.163 15.626 ( -0.107 -2.409 -1.942) 3.096 15.829 ( 4.816 8.594 -1.702) 9.997 15.980 ( 5.051 -2.140 -0.244) 5.491 16.076 ( 2.728 0.180 -0.027) 2.734 16.107 ( 0.602 -0.875 2.221) 2.462 16.583 ( 2.283 10.313 -2.516) 10.858 16.798 ( 0.801 -8.454 -4.805) 9.757 16.989 ( -6.244 -0.706 0.475) 6.302 17.087 ( -8.456 -8.358 -1.722) 12.013 21.249 ( 0.949 7.799 0.431) 7.868 21.348 ( 2.158 4.878 -0.948) 5.418 21.417 ( 3.130 -4.437 2.298) 5.897 21.469 ( 0.717 -3.688 2.080) 4.294 21.641 ( -1.541 5.440 0.805) 5.711 21.730 ( -6.201 -1.705 1.654) 6.641 21.858 ( -1.465 0.630 -1.112) 1.944 21.888 ( -6.396 -1.186 -0.366) 6.516 22.378 ( 0.138 2.310 -1.438) 2.725 22.412 ( 0.035 -0.853 -1.851) 2.038 22.506 ( -1.582 1.314 -1.956) 2.838 22.548 ( -0.836 -2.202 -0.819) 2.494 22.864 ( -0.730 4.927 3.606) 6.149 22.937 ( -0.471 -1.170 2.696) 2.976 23.117 ( 0.492 -0.462 -3.233) 3.303 23.165 ( -2.294 -4.436 -3.462) 6.077 23.976 ( 11.005 -0.918 -4.205) 11.817 23.995 ( 11.801 -2.753 -5.251) 13.207 24.247 ( -1.995 1.245 1.974) 3.070 24.287 ( -2.027 -2.616 1.337) 3.569 24.455 ( -4.931 3.652 2.084) 6.480 24.509 ( -2.316 -1.051 0.826) 2.674 24.539 ( -1.748 0.843 -1.126) 2.243 24.561 ( -0.976 -0.779 -0.647) 1.406 24.731 ( -0.450 0.399 3.018) 3.077 24.745 ( 1.153 -0.815 2.086) 2.519 24.870 ( -4.795 1.610 1.072) 5.171 24.909 ( -4.618 -2.111 1.108) 5.197 25.436 ( 1.928 0.180 1.278) 2.320 25.443 ( 2.437 -0.434 0.987) 2.665 25.625 ( 4.652 2.319 -2.527) 5.780 25.682 ( 3.413 -3.401 -2.789) 5.567 ======================= Grid point 50 (28/48) ======================= q-point: (-0.50 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( -0.100 6.374 -0.315) 6.383 1.415 ( -3.127 5.659 2.055) 6.784 1.535 ( 2.230 6.134 -13.631) 15.113 1.614 ( -1.951 1.035 -14.091) 14.263 1.700 ( 0.812 -3.938 -3.994) 5.667 1.724 ( -0.599 -5.305 -4.108) 6.736 1.843 ( -0.122 2.587 -3.103) 4.042 1.895 ( -1.194 1.461 -2.327) 2.996 2.037 ( -0.281 1.171 0.495) 1.302 2.087 ( -2.915 -0.712 1.728) 3.463 2.178 ( 3.176 -3.497 3.206) 5.709 2.181 ( 0.811 -0.500 3.744) 3.863 2.258 ( 1.641 1.161 5.758) 6.099 2.316 ( -0.374 -0.213 5.986) 6.002 2.362 ( 1.966 -1.663 -1.014) 2.767 2.391 ( -4.264 -2.082 -1.484) 4.972 2.669 ( -2.782 1.512 -8.198) 8.788 2.705 ( -1.168 -2.567 -6.595) 7.173 2.841 ( 3.181 1.198 2.623) 4.293 2.867 ( 6.612 0.004 -0.536) 6.634 2.906 ( -2.408 1.107 -5.355) 5.974 2.921 ( -0.524 -1.513 -0.303) 1.629 3.100 ( -2.845 2.141 3.383) 4.911 3.151 ( -1.521 5.029 3.991) 6.598 3.152 ( 3.720 -2.485 2.553) 5.151 3.191 ( -0.617 2.595 4.052) 4.851 3.216 ( 0.865 -0.873 5.122) 5.268 3.243 ( -4.653 -2.315 3.833) 6.457 3.420 ( 6.601 7.530 3.289) 10.540 3.448 ( -3.667 4.808 3.479) 6.977 3.605 ( -2.791 4.967 1.347) 5.855 3.628 ( 4.971 4.508 0.761) 6.753 3.873 ( 0.364 1.053 1.992) 2.282 3.927 ( -0.274 -2.260 3.193) 3.922 4.046 ( -1.542 -4.164 1.731) 4.766 4.089 ( 0.736 -7.322 3.899) 8.328 4.214 ( -2.139 5.212 -1.469) 5.822 4.311 ( -0.004 -4.164 1.099) 4.307 4.348 ( -1.006 0.773 1.436) 1.916 4.370 ( 1.347 -2.343 1.679) 3.181 4.452 ( -0.558 0.494 8.596) 8.628 4.504 ( 2.959 -0.951 6.022) 6.777 4.671 ( 2.931 -1.826 2.215) 4.102 4.714 ( -1.791 -6.754 4.076) 8.089 4.903 ( -2.649 4.688 0.052) 5.385 4.947 ( 1.509 1.767 -0.199) 2.332 5.011 ( -1.716 -5.239 1.708) 5.772 5.028 ( -0.524 -5.075 -1.036) 5.206 5.316 ( -2.058 2.464 -3.053) 4.430 5.391 ( 3.664 -3.677 -1.098) 5.305 5.499 ( 2.802 -0.406 1.282) 3.108 5.551 ( 3.115 -4.168 1.354) 5.376 5.746 ( -1.997 6.272 -3.158) 7.300 5.831 ( -1.622 -1.643 -3.602) 4.279 6.039 ( -1.942 7.334 -5.401) 9.313 6.104 ( -2.094 2.157 -5.352) 6.139 6.197 ( -2.116 3.402 -0.942) 4.115 6.271 ( -0.611 -3.564 -0.960) 3.742 6.410 ( -0.477 2.633 -4.189) 4.971 6.465 ( 0.836 -2.882 -3.971) 4.977 6.560 ( 5.855 0.520 -2.469) 6.376 6.597 ( 0.920 -2.318 -2.869) 3.802 6.790 ( -0.570 1.371 -2.137) 2.602 6.856 ( 1.943 -3.960 -4.439) 6.258 6.933 ( -0.535 3.336 -1.705) 3.785 7.007 ( -2.313 -3.882 -3.289) 5.589 7.182 ( -0.006 4.020 7.045) 8.111 7.241 ( 1.861 -1.297 2.596) 3.447 7.405 ( -0.788 7.259 -0.000) 7.301 7.499 ( 0.084 0.946 1.222) 1.547 7.608 ( 0.247 1.007 -2.611) 2.809 7.664 ( 0.131 -2.853 0.417) 2.886 7.843 ( -3.821 -1.177 -3.117) 5.069 7.859 ( -1.583 -2.582 -4.641) 5.542 7.936 ( 0.118 2.351 -4.845) 5.387 8.013 ( 2.591 -4.857 -3.667) 6.614 8.220 ( -2.043 7.110 3.809) 8.321 8.325 ( 0.766 -1.197 0.652) 1.564 8.368 ( -0.979 -2.781 3.625) 4.673 8.404 ( -2.567 -3.062 2.440) 4.681 8.462 ( -1.218 -1.402 -1.163) 2.191 8.494 ( 3.853 -5.144 1.229) 6.543 8.807 ( -0.267 2.215 -4.030) 4.606 8.859 ( 2.833 -2.655 -5.598) 6.813 9.209 ( 2.377 2.211 6.198) 6.997 9.259 ( 0.597 -2.498 5.865) 6.402 9.519 ( -3.237 1.293 2.008) 4.023 9.546 ( 0.008 -1.234 2.450) 2.743 9.769 ( -0.163 4.347 1.344) 4.553 9.800 ( 0.363 1.388 1.684) 2.212 9.856 ( -0.110 -0.821 -0.390) 0.916 9.881 ( -0.249 -2.918 -0.672) 3.005 12.975 ( -0.279 0.390 1.318) 1.402 12.986 ( 0.843 -0.688 1.335) 1.722 13.105 ( 0.527 0.679 -0.569) 1.031 13.117 ( -0.409 -0.535 -0.599) 0.901 13.728 ( -0.256 0.745 3.385) 3.476 13.746 ( 0.092 -1.056 3.451) 3.610 13.898 ( 0.083 4.605 0.665) 4.653 13.994 ( -0.058 -4.426 -0.888) 4.515 14.067 ( -0.244 4.886 -0.319) 4.902 14.172 ( -0.319 0.739 -1.209) 1.453 14.177 ( -0.242 -4.879 0.091) 4.886 14.207 ( -0.116 -4.089 -0.244) 4.097 14.525 ( -1.968 3.535 -0.067) 4.046 14.582 ( -1.449 -0.326 -1.608) 2.189 14.672 ( 1.293 0.406 -1.634) 2.123 14.684 ( 1.204 -0.798 -0.206) 1.459 14.928 ( 0.714 0.792 0.433) 1.151 14.964 ( 1.474 -2.768 0.611) 3.195 15.043 ( 1.840 0.924 -0.744) 2.189 15.094 ( -0.042 -3.954 0.687) 4.014 15.322 ( -3.160 6.209 4.667) 8.386 15.403 ( -1.021 -1.818 2.625) 3.352 15.523 ( 0.152 6.506 0.055) 6.508 15.626 ( 1.435 -2.840 -1.674) 3.595 15.939 ( 4.618 9.217 -0.049) 10.309 15.990 ( -2.609 4.869 -0.509) 5.548 16.066 ( -3.679 2.482 0.231) 4.444 16.124 ( 0.683 -3.255 0.336) 3.343 16.674 ( 5.228 1.822 0.254) 5.543 16.772 ( -3.086 -6.352 -1.043) 7.138 16.925 ( -5.316 -2.761 -4.063) 7.238 16.969 ( 3.309 -6.829 -3.018) 8.167 21.255 ( -0.342 8.277 0.969) 8.340 21.366 ( -0.920 6.294 -1.543) 6.545 21.437 ( -0.651 -5.779 2.924) 6.509 21.489 ( -0.231 -2.820 0.765) 2.931 21.608 ( -0.411 4.354 0.993) 4.485 21.682 ( 0.946 -2.940 1.842) 3.596 21.804 ( -0.845 3.613 -0.362) 3.728 21.886 ( 3.565 -3.959 0.470) 5.348 22.371 ( -0.750 1.662 -1.697) 2.491 22.403 ( -0.812 -1.444 -2.459) 2.965 22.503 ( 1.248 2.315 -0.703) 2.722 22.553 ( 1.254 -2.074 -0.778) 2.545 22.856 ( -0.308 4.543 3.318) 5.634 22.924 ( -0.919 -1.478 2.357) 2.930 23.132 ( 0.655 -1.938 -2.988) 3.621 23.144 ( 0.388 -2.407 -3.103) 3.946 24.104 ( -2.727 0.991 -1.281) 3.171 24.138 ( -3.853 -2.212 -3.306) 5.538 24.240 ( 6.799 -1.240 -2.689) 7.415 24.244 ( 2.982 -1.602 -2.002) 3.933 24.400 ( -0.138 2.285 3.442) 4.134 24.445 ( -2.533 -1.952 2.486) 4.050 24.530 ( 0.062 1.170 -1.538) 1.933 24.546 ( -0.430 -0.435 -1.144) 1.298 24.729 ( 0.224 1.940 2.421) 3.111 24.763 ( 0.331 -0.617 2.325) 2.428 24.828 ( 0.280 -0.115 1.119) 1.159 24.848 ( -1.889 -1.482 1.453) 2.807 25.455 ( 0.058 0.885 1.515) 1.756 25.476 ( 0.755 -1.071 1.883) 2.293 25.678 ( 0.652 0.635 -3.419) 3.538 25.698 ( -1.342 -1.283 -2.819) 3.375 ======================= Grid point 51 (29/48) ======================= q-point: (-0.33 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( -9.276 16.065 -0.705) 18.565 1.401 ( -7.183 6.622 8.182) 12.743 1.542 ( -0.650 -3.496 -14.625) 15.051 1.605 ( 1.651 1.622 -8.783) 9.083 1.662 ( -2.801 -1.539 1.127) 3.389 1.741 ( 0.200 -5.696 -9.312) 10.917 1.857 ( 1.465 -0.693 -2.419) 2.912 1.886 ( -0.202 -2.013 -3.837) 4.338 2.028 ( 0.912 1.948 1.551) 2.652 2.112 ( 0.483 -4.237 0.335) 4.278 2.180 ( 2.394 2.553 3.447) 4.912 2.233 ( -0.442 -2.944 5.419) 6.183 2.309 ( 1.100 4.437 -0.023) 4.571 2.332 ( 4.258 3.114 2.911) 6.025 2.370 ( 1.049 -2.275 -0.445) 2.544 2.429 ( 4.309 -3.877 -1.054) 5.891 2.614 ( -1.223 0.518 -9.814) 9.904 2.653 ( -1.488 -1.637 -5.098) 5.558 2.743 ( -15.776 15.788 5.379) 22.958 2.867 ( -0.351 1.280 -1.945) 2.354 2.933 ( 1.916 2.276 -0.193) 2.981 2.949 ( -1.052 -0.360 1.261) 1.681 3.009 ( -1.903 0.200 -0.462) 1.969 3.119 ( -2.397 -5.074 0.763) 5.664 3.130 ( -1.646 0.882 2.249) 2.923 3.146 ( -1.650 -0.815 3.805) 4.227 3.219 ( 1.599 -1.763 8.557) 8.882 3.253 ( 0.153 -3.209 6.807) 7.527 3.367 ( 2.001 -0.222 2.342) 3.088 3.437 ( -0.321 -6.286 3.580) 7.241 3.721 ( 2.467 1.146 1.320) 3.023 3.725 ( 4.202 1.952 -0.171) 4.636 3.986 ( 2.009 3.051 1.861) 4.099 3.998 ( 10.125 10.581 2.827) 14.915 4.055 ( 6.574 -0.727 0.121) 6.615 4.113 ( -1.616 4.489 -1.238) 4.929 4.180 ( -0.549 3.944 1.475) 4.246 4.240 ( -5.946 4.448 0.770) 7.466 4.286 ( -2.108 -4.259 4.205) 6.345 4.420 ( 0.752 -4.278 2.555) 5.039 4.482 ( 4.732 -4.478 1.012) 6.593 4.566 ( 3.718 -9.268 4.250) 10.853 4.672 ( -2.326 -3.009 5.880) 7.003 4.720 ( 1.911 -3.955 8.067) 9.186 4.887 ( 0.953 4.482 0.590) 4.620 4.980 ( 1.585 -3.952 -3.496) 5.510 5.037 ( 3.719 -1.368 2.636) 4.760 5.053 ( 3.649 -2.468 -0.746) 4.468 5.310 ( 1.196 6.900 -2.199) 7.340 5.438 ( -3.725 -2.647 -2.579) 5.247 5.519 ( 3.303 -0.331 4.530) 5.616 5.539 ( -4.054 -0.804 3.227) 5.243 5.717 ( 0.478 3.304 -4.072) 5.266 5.797 ( -1.327 -4.227 -6.242) 7.654 5.988 ( -4.339 8.078 -3.109) 9.682 6.080 ( -2.005 0.174 -4.253) 4.705 6.145 ( -2.993 2.548 -4.939) 6.313 6.219 ( -4.173 -4.297 -3.326) 6.851 6.351 ( -3.821 4.281 -5.411) 7.887 6.421 ( -2.645 -2.131 -5.025) 6.065 6.566 ( -2.554 0.380 0.758) 2.691 6.657 ( 0.728 -5.710 -0.218) 5.760 6.829 ( 4.442 4.078 -1.484) 6.210 6.920 ( 0.535 -3.522 -2.255) 4.216 6.946 ( 4.840 0.430 -5.316) 7.202 6.973 ( 0.292 -1.276 -2.138) 2.507 7.176 ( -1.655 6.455 6.004) 8.970 7.277 ( 2.265 -2.353 2.842) 4.329 7.446 ( 4.065 4.708 -1.486) 6.395 7.498 ( -0.479 0.757 1.748) 1.965 7.573 ( -5.467 2.748 0.611) 6.149 7.632 ( -1.436 -3.786 -0.828) 4.133 7.753 ( -4.798 -0.894 -3.753) 6.156 7.801 ( -3.462 -6.059 -5.501) 8.886 7.937 ( -0.434 4.345 -5.282) 6.853 8.020 ( -1.695 -3.203 -2.185) 4.232 8.199 ( 0.063 5.239 2.239) 5.698 8.314 ( -2.518 -4.103 1.731) 5.116 8.371 ( 3.042 0.444 1.278) 3.330 8.411 ( 1.959 -1.903 1.925) 3.341 8.496 ( 2.932 1.277 -1.352) 3.472 8.566 ( 3.216 -6.342 -0.009) 7.110 8.824 ( 2.758 1.664 -2.636) 4.162 8.888 ( 0.509 -4.268 -4.539) 6.251 9.203 ( -3.115 2.645 6.348) 7.550 9.257 ( -0.939 -2.724 6.339) 6.963 9.486 ( -0.020 4.154 0.202) 4.159 9.550 ( -0.015 -1.781 1.318) 2.216 9.786 ( 1.815 2.680 1.087) 3.414 9.811 ( 0.517 1.122 1.741) 2.134 9.838 ( -0.203 0.909 0.465) 1.041 9.900 ( 1.485 -3.802 -0.385) 4.099 12.975 ( 0.525 1.981 1.875) 2.777 13.015 ( 1.865 -2.015 1.147) 2.975 13.127 ( 1.740 0.700 -0.068) 1.877 13.141 ( 2.700 -0.667 -0.939) 2.935 13.735 ( 0.936 1.099 3.800) 4.065 13.764 ( 1.680 -1.686 4.380) 4.985 13.929 ( 2.956 4.458 0.836) 5.414 14.020 ( 1.920 -3.060 -1.638) 3.967 14.066 ( 0.882 3.784 0.238) 3.893 14.157 ( -0.804 -1.030 -1.126) 1.725 14.180 ( 0.346 -2.534 -0.305) 2.575 14.198 ( -0.745 -4.696 -0.230) 4.760 14.468 ( -3.815 2.392 -0.453) 4.526 14.517 ( -4.909 -1.618 -1.076) 5.280 14.661 ( -2.922 2.088 -0.160) 3.595 14.687 ( -1.374 -0.357 -0.481) 1.499 14.903 ( -2.276 2.252 -0.271) 3.214 14.980 ( -0.707 -4.660 -0.202) 4.717 15.049 ( -2.381 -0.557 2.823) 3.735 15.063 ( -0.333 -2.467 0.317) 2.510 15.285 ( -0.579 7.141 2.589) 7.618 15.389 ( -0.358 -3.014 1.963) 3.614 15.533 ( 0.499 8.623 -0.213) 8.640 15.671 ( 1.831 -2.636 -1.047) 3.376 15.882 ( -5.692 4.020 0.214) 6.971 15.949 ( -5.773 -0.242 -1.289) 5.921 16.029 ( -0.063 3.483 -0.305) 3.497 16.100 ( -2.829 -3.501 1.557) 4.762 16.636 ( -3.721 8.240 -1.692) 9.198 16.806 ( 0.065 -4.278 -5.887) 7.278 16.919 ( 7.428 1.614 -0.513) 7.618 17.093 ( 7.467 -11.652 -0.422) 13.846 21.243 ( -0.749 7.785 0.563) 7.841 21.321 ( -2.983 5.489 -1.289) 6.378 21.419 ( -1.410 -6.243 2.468) 6.860 21.438 ( -3.617 -3.214 0.866) 4.916 21.641 ( 2.723 5.154 0.913) 5.901 21.730 ( 3.188 -2.421 2.136) 4.538 21.857 ( 5.813 6.394 -1.422) 8.758 21.994 ( 7.400 -5.657 1.371) 9.415 22.354 ( -0.951 1.438 -1.252) 2.131 22.385 ( -0.985 -1.735 -2.470) 3.176 22.543 ( 2.662 2.401 -0.989) 3.719 22.590 ( 2.452 -1.878 -1.749) 3.549 22.850 ( -0.416 3.771 3.131) 4.919 22.908 ( -0.492 -1.462 2.729) 3.135 23.140 ( 1.017 0.095 -2.295) 2.512 23.184 ( 3.332 -3.590 -3.193) 5.847 23.946 ( -10.852 -1.118 -3.951) 11.603 23.957 ( -11.762 -2.284 -5.698) 13.267 24.318 ( 1.565 1.897 2.865) 3.775 24.369 ( 2.537 -3.152 1.742) 4.405 24.442 ( 4.056 0.586 0.243) 4.105 24.450 ( 3.859 -0.276 1.175) 4.044 24.529 ( 0.315 1.463 -0.595) 1.611 24.557 ( 1.302 -1.261 -0.606) 1.911 24.736 ( 0.204 2.061 2.395) 3.167 24.759 ( -0.390 -0.117 3.467) 3.491 24.847 ( 2.647 0.789 0.357) 2.785 24.874 ( 4.316 -1.829 0.208) 4.692 25.439 ( -1.652 1.318 1.350) 2.508 25.468 ( -1.525 -1.493 1.855) 2.828 25.625 ( -5.238 1.161 -2.571) 5.949 25.658 ( -3.620 -2.215 -3.631) 5.586 ======================= Grid point 52 (30/48) ======================= q-point: (-0.17 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( -3.463 21.028 2.223) 21.427 1.233 ( -8.665 15.633 6.574) 19.044 1.515 ( -2.642 -13.023 -6.445) 14.769 1.567 ( -5.789 -7.637 -1.554) 9.708 1.654 ( 2.449 4.153 -2.766) 5.558 1.717 ( 0.167 -1.390 1.175) 1.828 1.873 ( -1.687 1.909 -0.458) 2.588 1.897 ( 2.376 -1.795 -0.588) 3.035 2.046 ( 0.374 1.272 -5.810) 5.959 2.087 ( -3.209 -1.078 -0.545) 3.428 2.170 ( -4.250 5.058 3.643) 7.545 2.254 ( 2.842 -5.754 2.778) 6.993 2.338 ( 2.074 3.118 -3.433) 5.081 2.382 ( 1.567 7.266 -0.203) 7.436 2.389 ( 1.051 -0.853 -4.265) 4.475 2.488 ( -1.423 0.488 0.227) 1.522 2.553 ( 0.872 9.779 5.450) 11.229 2.637 ( 2.925 1.555 -10.397) 10.912 2.668 ( 1.463 -1.777 -6.694) 7.079 2.839 ( -3.848 0.523 1.084) 4.032 2.889 ( -0.852 -8.606 4.186) 9.608 2.945 ( -2.691 -6.478 1.175) 7.112 2.995 ( 0.669 1.605 0.750) 1.893 3.048 ( -4.587 -5.959 1.916) 7.760 3.101 ( -0.548 1.809 2.797) 3.376 3.118 ( -0.839 -0.176 0.469) 0.977 3.250 ( 1.752 0.260 7.804) 8.003 3.315 ( 3.968 -5.472 7.668) 10.222 3.457 ( 6.052 1.389 2.349) 6.639 3.523 ( 7.391 -6.124 4.152) 10.458 3.724 ( -0.723 3.004 0.696) 3.167 3.786 ( 1.572 -2.186 -1.813) 3.246 3.970 ( -2.021 4.457 2.165) 5.351 4.021 ( -5.242 10.782 -1.762) 12.118 4.032 ( -0.988 -1.987 0.822) 2.367 4.127 ( -0.199 7.487 6.014) 9.605 4.209 ( -0.691 -2.043 1.707) 2.750 4.231 ( 1.788 7.479 -1.259) 7.792 4.344 ( 6.320 -1.704 4.187) 7.770 4.431 ( 0.058 -4.176 2.655) 4.949 4.523 ( -2.754 -2.306 3.959) 5.346 4.554 ( -2.725 -10.103 0.826) 10.497 4.670 ( 3.380 4.062 6.504) 8.380 4.838 ( 8.801 -9.943 1.434) 13.356 4.931 ( 2.781 3.052 1.884) 4.538 5.009 ( 1.550 -4.418 -2.932) 5.524 5.108 ( 2.249 2.583 0.563) 3.471 5.141 ( 3.969 -0.376 -1.963) 4.444 5.289 ( -2.325 3.121 0.940) 4.004 5.338 ( -3.810 -0.870 0.880) 4.006 5.496 ( 2.523 8.186 0.765) 8.600 5.615 ( 3.921 -0.341 1.235) 4.125 5.732 ( 0.872 0.967 -1.459) 1.955 5.787 ( -2.327 -1.652 -5.126) 5.867 5.874 ( -4.158 2.131 -5.438) 7.170 5.943 ( -10.402 -3.499 -3.150) 11.418 6.103 ( -2.754 2.062 -5.740) 6.692 6.163 ( -0.585 -2.526 -3.738) 4.549 6.309 ( -0.719 8.034 -7.080) 10.733 6.386 ( -1.026 -3.098 -6.283) 7.080 6.536 ( -0.915 -1.949 -0.484) 2.207 6.631 ( -2.142 -9.334 1.550) 9.702 6.875 ( -0.138 8.006 0.452) 8.020 6.931 ( 2.066 -1.263 -3.211) 4.022 6.990 ( 1.604 3.602 -0.427) 3.967 7.082 ( 6.470 -1.723 -1.809) 6.936 7.159 ( 1.049 3.793 0.406) 3.957 7.284 ( -1.947 -7.980 2.960) 8.731 7.447 ( -4.890 2.825 3.815) 6.815 7.467 ( -3.416 2.462 0.843) 4.295 7.530 ( 3.896 2.221 -1.307) 4.671 7.612 ( -1.001 -4.011 0.862) 4.223 7.664 ( -4.285 -0.125 -3.792) 5.723 7.732 ( -4.329 -6.988 -5.380) 9.824 7.929 ( 0.503 3.069 -4.717) 5.650 7.979 ( -2.068 -1.019 -2.888) 3.696 8.222 ( 2.569 5.053 0.498) 5.690 8.305 ( 1.622 -2.288 0.183) 2.811 8.414 ( 0.754 0.542 0.915) 1.304 8.432 ( -0.198 -1.143 1.501) 1.897 8.536 ( 1.018 0.948 -3.164) 3.456 8.610 ( 1.559 -5.881 -1.590) 6.289 8.882 ( 0.319 -0.254 -0.242) 0.474 8.912 ( 3.526 -2.990 0.602) 4.662 9.129 ( -3.461 5.088 3.063) 6.874 9.221 ( -2.473 -4.055 2.766) 5.496 9.499 ( 0.828 4.375 -0.576) 4.489 9.544 ( -0.276 -0.298 -0.016) 0.407 9.810 ( 0.496 2.496 0.354) 2.570 9.822 ( 0.820 2.433 1.096) 2.792 9.870 ( 2.544 -0.448 2.932) 3.908 9.930 ( 1.538 -4.685 -0.023) 4.931 12.992 ( 0.988 2.958 2.784) 4.181 13.052 ( 1.718 -2.677 1.031) 3.343 13.160 ( 1.304 1.622 0.202) 2.091 13.200 ( 2.940 -2.020 -1.215) 3.768 13.762 ( 1.665 1.244 4.838) 5.265 13.805 ( 2.275 -3.084 6.332) 7.402 13.991 ( 2.964 4.326 0.538) 5.271 14.034 ( 0.223 3.028 -1.585) 3.425 14.110 ( 2.155 -2.917 0.435) 3.652 14.156 ( 0.471 -2.923 -1.227) 3.205 14.191 ( 1.668 -0.907 -0.642) 2.005 14.201 ( 1.859 -2.940 0.598) 3.529 14.386 ( -4.720 0.705 -0.116) 4.774 14.405 ( -6.571 -0.937 0.200) 6.640 14.575 ( -4.938 2.475 -0.201) 5.527 14.628 ( -3.462 -2.333 -0.152) 4.178 14.892 ( 1.130 2.813 -1.514) 3.389 14.928 ( -3.365 -0.546 0.935) 3.535 15.019 ( -1.851 -0.949 4.483) 4.942 15.055 ( -0.642 -4.388 0.933) 4.532 15.291 ( 0.890 6.187 0.965) 6.325 15.384 ( -0.317 -2.181 2.083) 3.033 15.537 ( 0.174 6.743 -1.231) 6.856 15.664 ( -1.666 -0.473 -0.171) 1.741 15.761 ( -7.034 -0.529 -1.348) 7.181 15.847 ( -4.494 -3.631 -0.265) 5.784 16.016 ( 0.167 0.754 -0.955) 1.228 16.044 ( -2.644 -2.354 0.593) 3.590 16.601 ( -0.368 16.337 -2.197) 16.488 16.814 ( 0.940 1.770 -8.913) 9.136 17.066 ( 6.401 -2.339 2.578) 7.286 17.221 ( 5.431 -12.076 0.642) 13.257 21.228 ( -0.819 6.784 0.237) 6.837 21.276 ( -1.309 4.251 -1.273) 4.627 21.361 ( -2.796 -2.526 2.292) 4.411 21.417 ( 0.094 -6.419 0.421) 6.434 21.680 ( 1.228 6.512 1.936) 6.904 21.790 ( 2.791 -2.291 1.668) 3.977 21.985 ( 6.459 6.992 -2.880) 9.945 22.138 ( 6.414 -6.403 0.669) 9.087 22.337 ( -0.578 1.299 -0.557) 1.526 22.363 ( -1.215 -1.477 -2.427) 3.090 22.590 ( 1.768 2.234 -2.525) 3.807 22.637 ( 2.038 -2.105 -3.192) 4.333 22.844 ( 0.033 3.375 2.747) 4.352 22.919 ( 1.668 -3.451 3.540) 5.217 23.188 ( 4.612 2.675 -0.856) 5.400 23.263 ( 4.389 -4.404 -2.230) 6.606 23.708 ( -13.096 -0.363 -8.216) 15.464 23.741 ( -10.432 -3.418 -6.709) 12.866 24.325 ( -0.414 1.989 3.855) 4.358 24.371 ( -0.821 -2.438 4.271) 4.986 24.490 ( 0.251 0.908 0.500) 1.067 24.503 ( 1.121 -0.371 -0.106) 1.185 24.568 ( 2.888 0.665 -0.144) 2.967 24.585 ( 1.513 -0.993 0.731) 1.951 24.730 ( -0.622 1.895 2.935) 3.549 24.758 ( 0.133 -0.928 4.143) 4.248 24.964 ( 8.792 1.669 -0.211) 8.952 24.988 ( 7.408 -0.869 0.418) 7.471 25.401 ( -2.193 0.802 0.543) 2.397 25.420 ( -3.568 -1.163 0.813) 3.840 25.510 ( -5.935 1.369 -1.538) 6.282 25.549 ( -7.274 -2.555 -2.534) 8.115 ======================= Grid point 65 (31/48) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.721 ( -4.303 0.000 18.194) 18.696 0.985 ( -5.150 0.000 15.686) 16.509 1.157 ( 5.722 0.000 -11.740) 13.060 1.394 ( 1.866 0.000 0.102) 1.869 1.676 ( -0.803 0.000 3.009) 3.114 1.732 ( -0.002 0.000 1.474) 1.474 1.808 ( -0.044 0.000 13.102) 13.102 1.965 ( 1.294 0.000 0.214) 1.312 2.043 ( -1.105 0.000 -9.018) 9.085 2.114 ( 1.762 0.000 -10.695) 10.839 2.230 ( 0.150 0.000 11.068) 11.069 2.302 ( 2.631 0.000 11.575) 11.870 2.378 ( -1.173 0.000 10.642) 10.707 2.453 ( 4.321 0.000 -6.140) 7.508 2.472 ( -2.951 0.000 -6.148) 6.819 2.574 ( 0.490 0.000 0.995) 1.109 2.607 ( -3.091 0.000 -6.402) 7.109 2.614 ( 4.984 0.000 -7.113) 8.686 2.703 ( -2.331 0.000 -0.039) 2.331 2.775 ( -2.481 0.000 -9.256) 9.583 2.885 ( 3.320 0.000 4.223) 5.372 2.944 ( -0.805 0.000 0.242) 0.841 2.984 ( -0.575 0.000 -2.380) 2.449 3.037 ( -0.506 0.000 2.961) 3.004 3.065 ( -5.688 0.000 -6.756) 8.831 3.119 ( 3.439 0.000 -3.643) 5.010 3.207 ( 0.939 0.000 2.859) 3.009 3.313 ( -2.737 0.000 -6.087) 6.674 3.600 ( 1.915 0.000 3.236) 3.760 3.622 ( -1.079 0.000 1.154) 1.580 3.731 ( 1.124 0.000 -0.125) 1.131 3.751 ( -2.026 0.000 6.476) 6.785 3.940 ( -1.445 0.000 0.239) 1.465 3.949 ( -0.498 0.000 -3.297) 3.334 4.091 ( -1.705 0.000 2.248) 2.821 4.172 ( 1.875 0.000 6.770) 7.025 4.244 ( 4.871 0.000 10.335) 11.426 4.346 ( 2.549 0.000 17.239) 17.427 4.430 ( -3.283 0.000 -7.526) 8.210 4.492 ( 1.987 0.000 -2.328) 3.061 4.500 ( -2.574 0.000 4.117) 4.856 4.580 ( -4.400 0.000 -7.457) 8.658 4.766 ( 4.779 0.000 -7.211) 8.650 4.858 ( -1.294 0.000 -8.606) 8.703 4.985 ( -0.521 0.000 5.623) 5.647 5.078 ( -2.764 0.000 -2.820) 3.949 5.098 ( 2.276 0.000 2.869) 3.662 5.180 ( 3.274 0.000 -3.903) 5.094 5.220 ( 1.519 0.000 6.065) 6.253 5.345 ( 3.224 0.000 -4.545) 5.573 5.463 ( -5.487 0.000 5.090) 7.484 5.513 ( 4.095 0.000 -0.358) 4.110 5.684 ( -9.934 0.000 0.538) 9.949 5.706 ( 2.473 0.000 1.951) 3.150 5.894 ( 7.365 0.000 -2.560) 7.798 5.911 ( 0.157 0.000 -1.574) 1.581 5.997 ( 3.062 0.000 -7.231) 7.852 6.042 ( -8.011 0.000 -4.443) 9.160 6.341 ( 2.467 0.000 3.353) 4.163 6.364 ( -2.148 0.000 2.654) 3.414 6.503 ( -1.415 0.000 3.583) 3.853 6.667 ( 1.536 0.000 -9.541) 9.664 6.863 ( -5.729 0.000 6.547) 8.700 6.873 ( -5.340 0.000 6.961) 8.773 7.021 ( 1.747 0.000 -6.668) 6.893 7.021 ( 7.284 0.000 -6.354) 9.666 7.272 ( 1.223 0.000 3.454) 3.664 7.320 ( -7.212 0.000 0.563) 7.234 7.406 ( 6.293 0.000 -0.996) 6.371 7.410 ( 2.097 0.000 -4.338) 4.818 7.536 ( -1.859 0.000 5.557) 5.859 7.610 ( 4.774 0.000 1.736) 5.080 7.697 ( -2.072 0.000 -3.304) 3.900 7.705 ( 2.274 0.000 -6.445) 6.834 7.960 ( -4.989 0.000 0.134) 4.991 7.963 ( 5.520 0.000 -0.043) 5.520 8.123 ( -0.074 0.000 1.692) 1.694 8.166 ( 0.632 0.000 -1.255) 1.405 8.406 ( -1.418 0.000 0.725) 1.592 8.433 ( 0.356 0.000 -1.602) 1.641 8.696 ( 4.888 0.000 1.678) 5.168 8.754 ( -4.580 0.000 -3.126) 5.545 8.821 ( -6.416 0.000 2.352) 6.833 8.851 ( 0.455 0.000 0.026) 0.456 9.191 ( -4.946 0.000 2.758) 5.663 9.282 ( 10.250 0.000 -5.127) 11.461 9.288 ( -2.025 0.000 2.969) 3.593 9.330 ( -1.419 0.000 -0.565) 1.527 9.803 ( 0.094 0.000 2.066) 2.068 9.806 ( -0.592 0.000 1.437) 1.554 10.027 ( 0.577 0.000 1.039) 1.188 10.046 ( -0.272 0.000 -0.848) 0.891 13.000 ( 0.204 0.000 1.222) 1.239 13.037 ( -0.199 0.000 -2.107) 2.117 13.208 ( -1.557 0.000 1.432) 2.115 13.241 ( 1.427 0.000 -1.648) 2.180 13.867 ( -0.346 0.000 3.566) 3.582 13.922 ( 1.000 0.000 -1.788) 2.049 14.007 ( -1.375 0.000 4.143) 4.365 14.097 ( -0.093 0.000 -3.726) 3.727 14.188 ( 3.148 0.000 1.912) 3.683 14.234 ( -3.187 0.000 -1.957) 3.740 14.271 ( -6.094 0.000 1.320) 6.235 14.295 ( 6.753 0.000 -1.870) 7.007 14.376 ( -0.165 0.000 0.683) 0.703 14.392 ( 0.323 0.000 -0.779) 0.843 14.499 ( -1.319 0.000 4.664) 4.847 14.628 ( 3.670 0.000 -6.879) 7.797 14.889 ( 6.281 0.000 1.500) 6.458 14.931 ( -4.487 0.000 -1.735) 4.810 15.137 ( -3.072 0.000 3.024) 4.311 15.185 ( -3.879 0.000 -1.470) 4.149 15.208 ( -10.696 0.000 11.460) 15.676 15.434 ( 8.122 0.000 -5.822) 9.993 15.493 ( 1.930 0.000 2.699) 3.318 15.517 ( 0.497 0.000 -3.786) 3.819 15.749 ( 8.476 0.000 2.667) 8.886 15.841 ( -9.588 0.000 -4.622) 10.644 15.929 ( 6.569 0.000 4.810) 8.142 16.047 ( -2.883 0.000 -6.038) 6.691 16.140 ( 2.190 0.000 0.939) 2.383 16.142 ( -0.686 0.000 0.657) 0.950 17.453 ( 1.904 0.000 5.351) 5.680 17.577 ( -1.791 0.000 -5.880) 6.147 21.039 ( 0.168 0.000 0.172) 0.240 21.047 ( -0.141 0.000 -0.569) 0.586 21.473 ( -0.445 0.000 4.462) 4.484 21.501 ( -0.029 0.000 0.165) 0.167 21.504 ( -0.192 0.000 0.663) 0.690 21.572 ( 1.810 0.000 -3.582) 4.013 22.141 ( 1.332 0.000 5.207) 5.374 22.251 ( -6.494 0.000 -3.725) 7.487 22.314 ( -0.161 0.000 1.804) 1.811 22.332 ( 2.638 0.000 -1.170) 2.885 22.556 ( 0.070 0.000 0.455) 0.461 22.615 ( -0.259 0.000 -5.027) 5.034 22.873 ( 1.626 0.000 6.251) 6.459 23.020 ( -0.807 0.000 -6.974) 7.021 23.276 ( -9.442 0.000 6.027) 11.202 23.390 ( 2.604 0.000 -4.325) 5.048 23.570 ( 6.450 0.000 3.171) 7.188 23.666 ( -0.935 0.000 -6.010) 6.082 24.371 ( 0.943 0.000 3.235) 3.370 24.419 ( -1.913 0.000 -1.314) 2.321 24.480 ( -1.030 0.000 1.245) 1.616 24.504 ( 0.721 0.000 -1.035) 1.262 24.611 ( -1.126 0.000 1.069) 1.552 24.619 ( -1.199 0.000 0.118) 1.204 24.692 ( 1.171 0.000 1.800) 2.147 24.740 ( 0.522 0.000 -2.661) 2.712 25.122 ( 0.742 0.000 3.598) 3.674 25.195 ( 2.282 0.000 -3.084) 3.837 25.363 ( 0.428 0.000 0.372) 0.566 25.382 ( -0.577 0.000 -1.349) 1.467 25.403 ( 1.654 0.000 0.472) 1.720 25.413 ( -2.135 0.000 -0.328) 2.160 ======================= Grid point 66 (32/48) ======================= q-point: ( 0.17 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.664 ( 0.734 0.000 15.485) 15.502 0.959 ( 2.103 0.000 9.037) 9.279 1.273 ( 4.830 0.000 -7.395) 8.833 1.518 ( 6.123 0.000 -11.502) 13.030 1.760 ( 4.092 0.000 3.666) 5.494 1.764 ( 11.614 0.000 6.638) 13.377 1.850 ( 1.333 0.000 8.446) 8.551 1.941 ( -3.144 0.000 -0.338) 3.162 1.972 ( -2.690 0.000 -3.548) 4.453 2.149 ( 0.887 0.000 -7.749) 7.800 2.229 ( -0.173 0.000 7.719) 7.721 2.319 ( -6.068 0.000 7.251) 9.455 2.326 ( -11.190 0.000 -5.125) 12.308 2.340 ( -2.237 0.000 7.226) 7.565 2.495 ( -1.249 0.000 6.529) 6.647 2.506 ( -6.685 0.000 -5.463) 8.633 2.514 ( -0.519 0.000 -8.102) 8.119 2.642 ( 1.106 0.000 -4.534) 4.667 2.754 ( 4.317 0.000 2.740) 5.113 2.780 ( 1.058 0.000 -8.087) 8.156 2.873 ( -6.092 0.000 -0.488) 6.111 2.901 ( -4.180 0.000 -1.283) 4.373 2.948 ( 0.625 0.000 5.218) 5.255 3.018 ( 2.461 0.000 0.090) 2.463 3.036 ( 0.975 0.000 -4.131) 4.245 3.133 ( 1.576 0.000 -3.588) 3.919 3.327 ( 6.108 0.000 1.718) 6.345 3.339 ( 5.253 0.000 -0.772) 5.309 3.602 ( -0.764 0.000 -1.762) 1.920 3.622 ( -0.916 0.000 1.746) 1.972 3.691 ( -4.545 0.000 4.478) 6.380 3.735 ( 0.741 0.000 -3.464) 3.542 3.845 ( -6.554 0.000 2.719) 7.096 3.951 ( 1.011 0.000 -2.238) 2.456 4.012 ( -4.819 0.000 4.714) 6.741 4.099 ( -8.711 0.000 6.636) 10.951 4.291 ( -2.454 0.000 10.625) 10.905 4.390 ( -0.982 0.000 -9.503) 9.554 4.439 ( 6.704 0.000 16.278) 17.605 4.449 ( -0.523 0.000 3.891) 3.926 4.483 ( -1.406 0.000 0.319) 1.442 4.572 ( 1.821 0.000 -11.255) 11.402 4.854 ( 2.788 0.000 -2.802) 3.953 4.861 ( 1.706 0.000 -8.433) 8.604 5.012 ( 0.762 0.000 7.102) 7.143 5.016 ( -4.947 0.000 -1.365) 5.132 5.152 ( 4.177 0.000 -0.951) 4.284 5.268 ( 3.077 0.000 -4.654) 5.579 5.289 ( 6.894 0.000 3.696) 7.822 5.359 ( -4.651 0.000 3.133) 5.608 5.384 ( -0.359 0.000 -7.603) 7.612 5.471 ( -1.676 0.000 6.131) 6.356 5.690 ( 5.194 0.000 -4.062) 6.594 5.704 ( -4.098 0.000 1.818) 4.484 5.876 ( -6.428 0.000 -1.159) 6.531 5.977 ( 8.354 0.000 -4.471) 9.476 6.071 ( 9.385 0.000 0.596) 9.404 6.100 ( 6.158 0.000 -2.225) 6.548 6.325 ( -2.071 0.000 6.218) 6.554 6.364 ( 0.821 0.000 0.956) 1.260 6.463 ( -2.290 0.000 1.178) 2.575 6.645 ( -2.182 0.000 -8.241) 8.525 6.767 ( -5.118 0.000 3.307) 6.094 6.776 ( -3.759 0.000 7.559) 8.442 7.035 ( -0.542 0.000 -4.404) 4.438 7.099 ( -1.192 0.000 -3.669) 3.857 7.208 ( -2.368 0.000 -2.519) 3.457 7.275 ( -0.760 0.000 5.347) 5.401 7.428 ( -4.056 0.000 6.873) 7.981 7.456 ( 2.998 0.000 -10.075) 10.511 7.565 ( 3.775 0.000 -4.529) 5.896 7.669 ( -0.228 0.000 -1.194) 1.215 7.690 ( 1.261 0.000 -5.543) 5.685 7.771 ( 2.904 0.000 -4.137) 5.055 7.872 ( -2.356 0.000 0.631) 2.439 8.018 ( 0.249 0.000 4.120) 4.127 8.186 ( 5.623 0.000 -2.485) 6.147 8.218 ( 4.177 0.000 -1.897) 4.588 8.396 ( 1.331 0.000 0.524) 1.431 8.411 ( -2.196 0.000 -1.828) 2.857 8.665 ( -3.919 0.000 -2.916) 4.885 8.746 ( -1.321 0.000 4.850) 5.026 8.786 ( 3.731 0.000 0.504) 3.765 8.831 ( -3.405 0.000 5.804) 6.728 9.154 ( 2.313 0.000 -2.095) 3.120 9.243 ( -0.772 0.000 2.241) 2.371 9.370 ( 4.671 0.000 1.590) 4.934 9.516 ( 11.436 0.000 -3.310) 11.906 9.781 ( -1.819 0.000 1.763) 2.533 9.786 ( -2.072 0.000 2.596) 3.321 9.998 ( -3.337 0.000 1.463) 3.644 10.013 ( -2.956 0.000 -1.525) 3.326 12.999 ( -0.154 0.000 2.020) 2.026 13.032 ( -0.225 0.000 -2.104) 2.116 13.146 ( -4.327 0.000 1.547) 4.595 13.230 ( -2.319 0.000 -1.464) 2.743 13.858 ( -0.513 0.000 3.072) 3.114 13.924 ( -1.136 0.000 -0.973) 1.496 13.937 ( -4.929 0.000 4.247) 6.506 14.037 ( -4.040 0.000 -2.494) 4.748 14.135 ( -5.441 0.000 0.720) 5.488 14.158 ( -4.922 0.000 -1.986) 5.307 14.278 ( 3.884 0.000 0.498) 3.916 14.385 ( 1.484 0.000 -0.615) 1.607 14.395 ( 1.692 0.000 0.398) 1.738 14.434 ( 3.713 0.000 -0.658) 3.771 14.533 ( 3.894 0.000 3.724) 5.388 14.747 ( 7.533 0.000 -7.489) 10.622 14.841 ( -3.415 0.000 -1.343) 3.669 14.952 ( -6.316 0.000 10.912) 12.608 15.016 ( 5.735 0.000 2.307) 6.181 15.075 ( -1.678 0.000 2.554) 3.056 15.237 ( 2.416 0.000 1.811) 3.019 15.441 ( -3.333 0.000 1.440) 3.631 15.518 ( -5.217 0.000 -9.615) 10.939 15.530 ( 1.849 0.000 1.950) 2.687 15.739 ( -5.196 0.000 6.247) 8.126 15.821 ( 7.072 0.000 -1.266) 7.184 15.997 ( -2.022 0.000 -6.701) 6.999 16.120 ( -1.910 0.000 0.983) 2.148 16.235 ( 8.223 0.000 -0.822) 8.264 16.317 ( 25.341 0.000 -6.233) 26.097 17.416 ( -5.773 0.000 5.458) 7.945 17.461 ( -9.861 0.000 -5.969) 11.527 21.047 ( 0.621 0.000 0.096) 0.629 21.049 ( 0.308 0.000 -0.534) 0.616 21.484 ( 0.568 0.000 3.233) 3.283 21.495 ( -0.644 0.000 -0.194) 0.673 21.515 ( 2.199 0.000 0.921) 2.384 21.639 ( 5.084 0.000 -3.880) 6.395 22.093 ( -9.274 0.000 0.526) 9.289 22.105 ( -4.713 0.000 6.554) 8.073 22.328 ( 1.233 0.000 1.729) 2.123 22.369 ( 1.251 0.000 -1.877) 2.255 22.537 ( -1.838 0.000 0.391) 1.880 22.584 ( -2.412 0.000 -3.933) 4.614 22.908 ( 1.436 0.000 6.414) 6.572 23.016 ( 0.512 0.000 -7.644) 7.661 23.055 ( -8.550 0.000 9.642) 12.887 23.310 ( -6.889 0.000 -4.346) 8.146 23.796 ( 12.706 0.000 -1.253) 12.767 23.801 ( 11.013 0.000 -5.013) 12.101 24.382 ( -1.474 0.000 0.282) 1.500 24.382 ( 0.143 0.000 4.449) 4.451 24.457 ( -1.611 0.000 1.208) 2.014 24.500 ( -3.166 0.000 -0.079) 3.167 24.551 ( -2.446 0.000 0.239) 2.458 24.558 ( -4.448 0.000 -1.231) 4.615 24.735 ( 2.470 0.000 1.811) 3.063 24.762 ( 1.512 0.000 -1.916) 2.441 25.061 ( -5.484 0.000 0.086) 5.485 25.069 ( -9.191 0.000 0.391) 9.200 25.403 ( 3.530 0.000 0.828) 3.626 25.417 ( 3.509 0.000 -2.188) 4.135 25.441 ( 3.463 0.000 2.030) 4.014 25.569 ( 9.107 0.000 -4.641) 10.221 ======================= Grid point 67 (33/48) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( 13.791 0.000 0.003) 13.791 1.022 ( 3.041 0.000 -4.785) 5.670 1.337 ( 2.927 0.000 -1.924) 3.503 1.510 ( -9.880 0.000 -4.760) 10.967 1.771 ( -0.978 0.000 -2.858) 3.021 1.772 ( -5.802 0.000 1.671) 6.038 1.953 ( 2.688 0.000 1.012) 2.872 1.962 ( 6.691 0.000 4.407) 8.012 2.080 ( -12.695 0.000 0.943) 12.730 2.103 ( -4.426 0.000 -0.131) 4.428 2.152 ( 15.093 0.000 -2.819) 15.354 2.163 ( 2.623 0.000 -5.694) 6.269 2.235 ( -5.858 0.000 1.306) 6.002 2.334 ( -8.498 0.000 -0.328) 8.505 2.367 ( 5.348 0.000 7.667) 9.348 2.493 ( -1.189 0.000 10.266) 10.334 2.542 ( 2.739 0.000 -6.936) 7.457 2.605 ( -7.256 0.000 -2.701) 7.742 2.732 ( -4.616 0.000 1.980) 5.022 2.743 ( -3.370 0.000 -4.352) 5.505 2.880 ( 6.417 0.000 5.729) 8.602 2.922 ( 5.261 0.000 -3.126) 6.119 2.992 ( 3.783 0.000 1.116) 3.945 3.062 ( 1.939 0.000 1.327) 2.350 3.078 ( 3.282 0.000 -1.556) 3.632 3.184 ( 3.693 0.000 -2.970) 4.739 3.379 ( -0.613 0.000 -3.436) 3.490 3.440 ( -10.948 0.000 0.480) 10.959 3.462 ( 1.760 0.000 6.470) 6.705 3.615 ( 1.969 0.000 -6.799) 7.078 3.659 ( -1.219 0.000 3.370) 3.584 3.754 ( -2.682 0.000 8.409) 8.827 3.788 ( 3.628 0.000 -6.087) 7.086 3.892 ( -8.229 0.000 3.880) 9.098 3.931 ( -4.810 0.000 4.228) 6.404 3.993 ( 0.237 0.000 -4.530) 4.536 4.209 ( -2.695 0.000 12.113) 12.410 4.390 ( 1.116 0.000 -9.211) 9.279 4.431 ( -2.950 0.000 4.117) 5.065 4.469 ( 1.579 0.000 2.574) 3.020 4.607 ( 8.631 0.000 11.862) 14.670 4.620 ( 3.486 0.000 -8.303) 9.005 4.848 ( -6.651 0.000 -0.720) 6.690 4.851 ( -2.489 0.000 0.089) 2.490 4.953 ( 1.873 0.000 -5.382) 5.699 4.974 ( -3.757 0.000 5.390) 6.570 5.255 ( -2.484 0.000 5.265) 5.821 5.268 ( 5.872 0.000 -4.653) 7.492 5.274 ( -1.891 0.000 4.787) 5.147 5.324 ( -3.682 0.000 -5.162) 6.340 5.488 ( 11.087 0.000 -0.422) 11.095 5.497 ( 0.271 0.000 -3.499) 3.510 5.585 ( -7.708 0.000 -3.409) 8.428 5.747 ( -0.555 0.000 -1.594) 1.688 5.850 ( 4.905 0.000 0.496) 4.930 6.152 ( 7.612 0.000 0.447) 7.625 6.164 ( -2.728 0.000 -1.225) 2.990 6.199 ( 2.478 0.000 7.652) 8.043 6.318 ( 5.119 0.000 5.997) 7.885 6.422 ( 4.682 0.000 -7.198) 8.587 6.449 ( 0.197 0.000 0.941) 0.961 6.653 ( 3.832 0.000 -6.934) 7.922 6.702 ( -3.173 0.000 6.025) 6.809 6.722 ( 1.761 0.000 -1.069) 2.060 6.983 ( -5.221 0.000 -1.881) 5.550 6.995 ( -7.590 0.000 -1.587) 7.754 7.220 ( 1.814 0.000 -4.696) 5.035 7.240 ( -2.725 0.000 4.502) 5.263 7.338 ( -5.039 0.000 9.014) 10.326 7.503 ( 1.086 0.000 -13.560) 13.604 7.583 ( -0.461 0.000 -3.564) 3.594 7.672 ( -3.773 0.000 -4.145) 5.605 7.695 ( 1.320 0.000 -0.247) 1.343 7.719 ( -1.425 0.000 -1.923) 2.394 7.960 ( 7.087 0.000 -4.082) 8.179 7.997 ( -2.460 0.000 7.570) 7.960 8.272 ( 2.686 0.000 -2.180) 3.460 8.291 ( 3.050 0.000 -2.367) 3.861 8.386 ( 0.082 0.000 -1.574) 1.576 8.433 ( 1.113 0.000 -2.302) 2.557 8.619 ( -0.355 0.000 -2.373) 2.400 8.725 ( -6.238 0.000 4.689) 7.804 8.768 ( 2.989 0.000 5.212) 6.008 8.844 ( 2.022 0.000 -0.179) 2.030 9.235 ( 4.391 0.000 -2.039) 4.841 9.244 ( 0.483 0.000 2.638) 2.682 9.483 ( 6.735 0.000 2.317) 7.122 9.670 ( 0.809 0.000 0.858) 1.179 9.749 ( 2.104 0.000 -0.889) 2.284 9.752 ( -0.856 0.000 2.966) 3.087 9.913 ( -5.259 0.000 2.652) 5.890 9.948 ( -3.522 0.000 -2.709) 4.443 13.006 ( 1.074 0.000 3.072) 3.255 13.032 ( 0.388 0.000 -2.016) 2.053 13.069 ( -3.461 0.000 1.247) 3.678 13.167 ( -3.847 0.000 -1.435) 4.106 13.843 ( -2.191 0.000 5.731) 6.135 13.856 ( -1.937 0.000 1.734) 2.600 13.881 ( -2.670 0.000 -0.113) 2.672 13.983 ( -1.863 0.000 -1.412) 2.337 14.061 ( -4.507 0.000 -1.406) 4.722 14.069 ( -1.309 0.000 -2.534) 2.852 14.338 ( 2.299 0.000 0.394) 2.333 14.391 ( -0.402 0.000 -0.125) 0.421 14.430 ( 1.807 0.000 0.012) 1.807 14.467 ( -0.072 0.000 0.590) 0.594 14.622 ( 4.929 0.000 3.046) 5.794 14.803 ( 1.286 0.000 -5.028) 5.190 14.865 ( 0.028 0.000 5.918) 5.918 14.981 ( 9.242 0.000 -1.233) 9.324 14.999 ( -2.736 0.000 3.357) 4.331 15.187 ( 7.921 0.000 -0.597) 7.944 15.291 ( 3.270 0.000 0.442) 3.300 15.336 ( -7.329 0.000 1.156) 7.419 15.436 ( -2.538 0.000 -5.191) 5.778 15.548 ( -2.229 0.000 -2.861) 3.627 15.638 ( -2.725 0.000 10.015) 10.380 15.851 ( -2.814 0.000 -1.141) 3.037 16.032 ( 3.869 0.000 -6.036) 7.170 16.067 ( -3.518 0.000 3.030) 4.643 16.472 ( 16.060 0.000 0.775) 16.079 16.758 ( 20.608 0.000 -8.750) 22.388 17.222 ( -14.777 0.000 -6.315) 16.070 17.245 ( -11.993 0.000 5.278) 13.103 21.057 ( 0.496 0.000 -0.427) 0.654 21.058 ( 0.468 0.000 -0.043) 0.470 21.480 ( -0.710 0.000 0.001) 0.710 21.481 ( -0.453 0.000 0.787) 0.908 21.599 ( 6.038 0.000 2.310) 6.465 21.748 ( 5.496 0.000 -2.653) 6.103 21.934 ( -6.372 0.000 0.530) 6.394 21.983 ( -7.748 0.000 6.542) 10.140 22.348 ( 0.624 0.000 1.765) 1.872 22.383 ( 0.383 0.000 -1.756) 1.797 22.501 ( -1.551 0.000 0.346) 1.589 22.543 ( -1.531 0.000 -2.912) 3.290 22.906 ( -1.354 0.000 9.435) 9.532 22.986 ( -0.168 0.000 4.844) 4.847 23.035 ( 1.513 0.000 -7.733) 7.880 23.197 ( -4.696 0.000 -5.774) 7.443 24.005 ( 9.842 0.000 -2.502) 10.155 24.017 ( 10.585 0.000 -2.175) 10.806 24.355 ( -4.246 0.000 3.293) 5.373 24.365 ( -3.673 0.000 4.961) 6.173 24.397 ( -2.951 0.000 -2.111) 3.628 24.413 ( -1.471 0.000 -0.367) 1.516 24.484 ( -2.630 0.000 -1.866) 3.225 24.533 ( -0.883 0.000 -1.568) 1.799 24.778 ( 1.963 0.000 2.816) 3.432 24.798 ( 2.279 0.000 -1.309) 2.628 24.918 ( -6.360 0.000 2.553) 6.854 24.963 ( -4.358 0.000 -1.570) 4.632 25.464 ( 1.990 0.000 2.079) 2.878 25.493 ( 4.052 0.000 -3.469) 5.334 25.512 ( 3.849 0.000 3.368) 5.115 25.673 ( 1.999 0.000 -5.490) 5.843 ======================= Grid point 68 (34/48) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( -1.853 0.000 -6.916) 7.160 1.039 ( -2.320 0.000 -9.292) 9.578 1.320 ( 4.365 0.000 -1.341) 4.567 1.354 ( 1.108 0.000 -6.147) 6.246 1.785 ( -0.971 0.000 4.655) 4.755 1.818 ( -1.836 0.000 3.552) 3.999 1.841 ( 3.894 0.000 1.494) 4.171 1.874 ( -4.241 0.000 -3.242) 5.339 2.106 ( 6.165 0.000 2.781) 6.764 2.119 ( -4.538 0.000 0.464) 4.562 2.135 ( -6.820 0.000 2.151) 7.151 2.161 ( 4.772 0.000 -0.391) 4.788 2.312 ( -6.279 0.000 1.398) 6.432 2.357 ( 9.724 0.000 -3.238) 10.249 2.376 ( 6.363 0.000 2.380) 6.794 2.384 ( -12.726 0.000 1.096) 12.773 2.591 ( -1.412 0.000 -3.494) 3.768 2.615 ( 3.890 0.000 -3.285) 5.092 2.650 ( 3.063 0.000 -1.407) 3.371 2.703 ( -0.773 0.000 -8.333) 8.369 2.933 ( -1.922 0.000 7.995) 8.222 2.995 ( 1.218 0.000 2.827) 3.078 3.061 ( -1.618 0.000 7.763) 7.930 3.082 ( -2.471 0.000 0.454) 2.513 3.136 ( 2.249 0.000 -2.428) 3.310 3.278 ( 5.010 0.000 2.235) 5.486 3.280 ( 1.406 0.000 -8.894) 9.005 3.320 ( -0.247 0.000 -1.713) 1.731 3.514 ( -1.756 0.000 6.870) 7.090 3.619 ( 4.140 0.000 7.895) 8.915 3.642 ( -0.155 0.000 -8.147) 8.148 3.705 ( -5.238 0.000 -0.196) 5.241 3.739 ( -3.731 0.000 10.231) 10.890 3.848 ( -0.701 0.000 7.841) 7.872 3.916 ( 3.120 0.000 -7.015) 7.678 3.981 ( -0.723 0.000 -4.505) 4.562 4.222 ( 1.249 0.000 7.301) 7.407 4.369 ( -2.397 0.000 6.768) 7.180 4.419 ( 1.680 0.000 -9.072) 9.226 4.501 ( 1.948 0.000 -2.299) 3.013 4.680 ( -9.814 0.000 3.524) 10.428 4.697 ( 3.497 0.000 1.384) 3.760 4.757 ( 6.654 0.000 4.685) 8.138 4.798 ( -1.296 0.000 -0.368) 1.347 4.911 ( -2.465 0.000 4.528) 5.155 5.014 ( 3.883 0.000 -4.698) 6.095 5.224 ( -0.561 0.000 4.930) 4.962 5.231 ( -0.671 0.000 2.968) 3.043 5.268 ( -2.245 0.000 0.238) 2.258 5.371 ( -3.037 0.000 -5.913) 6.647 5.456 ( 0.399 0.000 -3.165) 3.190 5.499 ( 1.527 0.000 -6.563) 6.739 5.666 ( 7.040 0.000 -2.620) 7.511 5.682 ( -5.498 0.000 0.218) 5.503 5.996 ( 8.540 0.000 2.600) 8.926 6.013 ( -9.673 0.000 1.178) 9.745 6.197 ( -1.846 0.000 6.404) 6.665 6.283 ( 5.159 0.000 0.541) 5.188 6.402 ( -3.909 0.000 -0.541) 3.947 6.480 ( 7.060 0.000 4.946) 8.620 6.487 ( 2.230 0.000 -6.270) 6.655 6.575 ( -6.624 0.000 -3.026) 7.282 6.821 ( -4.386 0.000 -1.685) 4.699 6.831 ( 3.686 0.000 -1.454) 3.963 6.864 ( 6.741 0.000 -3.885) 7.780 6.867 ( -0.761 0.000 -3.141) 3.232 7.194 ( -2.024 0.000 2.050) 2.881 7.247 ( -3.836 0.000 11.736) 12.347 7.256 ( 1.589 0.000 -3.317) 3.678 7.481 ( -1.723 0.000 -6.707) 6.925 7.583 ( 0.380 0.000 0.650) 0.753 7.622 ( -1.285 0.000 -6.176) 6.308 7.697 ( -0.490 0.000 -1.592) 1.666 7.727 ( 1.217 0.000 -4.511) 4.672 7.932 ( -4.157 0.000 8.054) 9.064 8.080 ( 5.068 0.000 -5.356) 7.374 8.287 ( -0.848 0.000 -0.029) 0.848 8.325 ( 0.328 0.000 -3.275) 3.291 8.398 ( 0.526 0.000 0.522) 0.742 8.403 ( -3.970 0.000 -0.412) 3.991 8.623 ( -3.820 0.000 2.690) 4.672 8.667 ( 5.414 0.000 -1.625) 5.653 8.827 ( 2.476 0.000 1.773) 3.045 8.877 ( 1.306 0.000 -2.264) 2.614 9.244 ( -1.230 0.000 2.789) 3.048 9.282 ( 0.494 0.000 -0.769) 0.914 9.588 ( -5.455 0.000 3.234) 6.341 9.613 ( 6.381 0.000 0.791) 6.430 9.743 ( -1.609 0.000 4.797) 5.060 9.828 ( -1.888 0.000 3.862) 4.299 9.829 ( 1.629 0.000 -3.239) 3.625 9.900 ( 0.181 0.000 -2.792) 2.798 13.009 ( -1.821 0.000 2.093) 2.774 13.052 ( 1.877 0.000 -1.899) 2.670 13.056 ( 3.113 0.000 2.254) 3.843 13.099 ( -2.989 0.000 -1.700) 3.438 13.802 ( -0.825 0.000 4.156) 4.237 13.851 ( 0.084 0.000 0.430) 0.439 13.865 ( 1.915 0.000 3.767) 4.226 13.951 ( -1.595 0.000 -1.770) 2.383 14.007 ( -0.891 0.000 -1.036) 1.366 14.069 ( 0.715 0.000 -3.617) 3.687 14.370 ( 1.090 0.000 0.404) 1.162 14.377 ( -0.957 0.000 -0.035) 0.957 14.456 ( -0.810 0.000 0.075) 0.813 14.460 ( 1.311 0.000 -0.420) 1.377 14.698 ( 2.230 0.000 3.688) 4.310 14.761 ( -4.073 0.000 -1.754) 4.435 14.938 ( 5.614 0.000 0.732) 5.661 14.958 ( -1.128 0.000 -0.443) 1.212 15.128 ( 5.087 0.000 2.307) 5.586 15.149 ( -9.987 0.000 0.959) 10.033 15.318 ( 1.872 0.000 1.545) 2.427 15.357 ( 2.925 0.000 -0.153) 2.929 15.415 ( -8.446 0.000 -1.338) 8.551 15.432 ( 3.371 0.000 -2.513) 4.205 15.689 ( 5.673 0.000 4.727) 7.384 15.807 ( -0.865 0.000 -5.307) 5.377 15.997 ( -3.666 0.000 4.742) 5.993 16.086 ( 2.027 0.000 -3.313) 3.884 16.792 ( 15.402 0.000 3.715) 15.844 16.908 ( -18.015 0.000 -7.451) 19.496 16.978 ( -14.656 0.000 4.133) 15.228 17.101 ( 15.722 0.000 -6.799) 17.129 21.061 ( -0.189 0.000 -0.101) 0.215 21.064 ( 0.157 0.000 -0.340) 0.374 21.473 ( -0.008 0.000 0.354) 0.354 21.474 ( -0.150 0.000 0.314) 0.348 21.718 ( 4.297 0.000 2.682) 5.065 21.746 ( -5.135 0.000 0.253) 5.141 21.843 ( -4.802 0.000 5.443) 7.259 21.948 ( 7.104 0.000 -3.392) 7.872 22.352 ( -0.155 0.000 1.665) 1.673 22.386 ( 0.035 0.000 -1.694) 1.695 22.488 ( 0.234 0.000 0.414) 0.476 22.530 ( 0.146 0.000 -3.174) 3.177 22.889 ( -0.574 0.000 8.541) 8.560 22.997 ( 1.108 0.000 5.352) 5.465 23.070 ( 2.315 0.000 -7.995) 8.324 23.127 ( -2.801 0.000 -6.025) 6.644 24.127 ( -0.540 0.000 0.961) 1.102 24.147 ( -2.985 0.000 -1.504) 3.342 24.265 ( 3.138 0.000 0.191) 3.144 24.289 ( 0.414 0.000 -1.058) 1.137 24.406 ( -0.331 0.000 -0.431) 0.543 24.412 ( 2.078 0.000 -0.555) 2.151 24.466 ( 0.920 0.000 0.447) 1.023 24.507 ( -1.551 0.000 -2.316) 2.788 24.794 ( -1.496 0.000 3.416) 3.729 24.843 ( 1.852 0.000 -1.232) 2.224 24.847 ( -0.105 0.000 3.831) 3.833 24.899 ( -1.867 0.000 -1.043) 2.139 25.472 ( -1.004 0.000 2.601) 2.788 25.552 ( 1.748 0.000 -4.903) 5.205 25.573 ( 1.977 0.000 3.758) 4.246 25.660 ( -2.754 0.000 -4.269) 5.080 ======================= Grid point 69 (35/48) ======================= q-point: (-0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( -9.366 0.000 8.194) 12.444 0.991 ( 0.389 0.000 -17.471) 17.476 1.351 ( -7.029 0.000 8.643) 11.140 1.544 ( 6.222 0.000 -15.784) 16.966 1.684 ( 4.278 0.000 3.152) 5.314 1.818 ( 3.573 0.000 -1.294) 3.800 1.927 ( 0.849 0.000 10.555) 10.589 1.946 ( -6.517 0.000 2.204) 6.879 2.096 ( 1.073 0.000 -0.151) 1.084 2.100 ( 12.903 0.000 0.660) 12.919 2.105 ( -9.430 0.000 -5.182) 10.760 2.176 ( -5.421 0.000 -2.740) 6.074 2.259 ( -5.164 0.000 9.334) 10.667 2.260 ( 7.421 0.000 -1.415) 7.554 2.355 ( 1.264 0.000 5.955) 6.087 2.482 ( 1.237 0.000 -6.856) 6.966 2.547 ( -1.106 0.000 6.213) 6.311 2.664 ( 1.400 0.000 -2.527) 2.889 2.708 ( 0.614 0.000 -0.027) 0.615 2.752 ( 6.045 0.000 -3.867) 7.176 2.876 ( -0.826 0.000 -1.270) 1.516 2.973 ( -3.505 0.000 5.190) 6.263 2.994 ( -0.220 0.000 1.934) 1.947 3.093 ( -1.290 0.000 1.702) 2.135 3.094 ( -8.116 0.000 -6.551) 10.430 3.191 ( -1.572 0.000 -9.466) 9.596 3.386 ( 2.537 0.000 -0.324) 2.558 3.447 ( 3.761 0.000 1.253) 3.964 3.502 ( 2.732 0.000 4.014) 4.855 3.582 ( -1.923 0.000 -6.572) 6.848 3.671 ( 0.855 0.000 6.688) 6.742 3.682 ( -0.652 0.000 -2.245) 2.338 3.841 ( 11.423 0.000 7.202) 13.503 3.857 ( 3.335 0.000 8.577) 9.203 3.907 ( 0.347 0.000 -5.130) 5.142 4.008 ( 1.635 0.000 -2.411) 2.913 4.178 ( -4.595 0.000 9.744) 10.773 4.388 ( 2.713 0.000 5.479) 6.113 4.455 ( 2.376 0.000 -9.037) 9.345 4.495 ( -9.008 0.000 6.474) 11.093 4.529 ( 0.664 0.000 -2.566) 2.651 4.685 ( -2.687 0.000 4.743) 5.451 4.854 ( 3.607 0.000 -2.154) 4.201 4.862 ( 1.296 0.000 -2.610) 2.914 4.887 ( 3.127 0.000 1.311) 3.391 5.103 ( 5.284 0.000 -4.789) 7.131 5.181 ( -3.356 0.000 2.859) 4.409 5.203 ( -6.155 0.000 4.601) 7.684 5.252 ( -1.855 0.000 -0.039) 1.856 5.284 ( 3.044 0.000 2.199) 3.755 5.489 ( -6.451 0.000 0.391) 6.463 5.522 ( 1.917 0.000 0.688) 2.036 5.633 ( 4.327 0.000 -5.105) 6.692 5.751 ( 1.696 0.000 -5.402) 5.662 5.848 ( -5.984 0.000 -0.184) 5.987 6.094 ( -2.230 0.000 3.931) 4.519 6.169 ( 1.046 0.000 0.379) 1.112 6.253 ( -9.897 0.000 2.557) 10.222 6.367 ( 2.536 0.000 -2.607) 3.637 6.420 ( -8.073 0.000 0.113) 8.074 6.517 ( 0.468 0.000 -7.608) 7.623 6.532 ( -0.904 0.000 4.507) 4.596 6.749 ( 2.156 0.000 -3.653) 4.242 6.857 ( 5.595 0.000 -7.486) 9.346 6.976 ( 3.586 0.000 2.644) 4.455 7.000 ( 2.853 0.000 -4.423) 5.263 7.148 ( -1.548 0.000 3.159) 3.518 7.250 ( 3.340 0.000 6.390) 7.210 7.286 ( 2.562 0.000 0.514) 2.613 7.473 ( 0.163 0.000 -0.189) 0.250 7.582 ( -0.681 0.000 3.995) 4.053 7.596 ( -1.188 0.000 -8.645) 8.727 7.705 ( 1.732 0.000 -0.758) 1.891 7.734 ( -1.217 0.000 -4.688) 4.843 7.860 ( -2.788 0.000 5.425) 6.099 8.126 ( -0.853 0.000 -3.711) 3.808 8.244 ( -3.597 0.000 1.366) 3.848 8.271 ( -4.978 0.000 -1.506) 5.201 8.362 ( 0.673 0.000 -0.576) 0.886 8.403 ( 0.224 0.000 0.811) 0.842 8.589 ( 0.098 0.000 1.179) 1.184 8.794 ( 5.796 0.000 -1.496) 5.986 8.863 ( 2.919 0.000 -2.259) 3.691 8.884 ( -0.642 0.000 -5.244) 5.284 9.171 ( -6.350 0.000 3.824) 7.413 9.271 ( -1.041 0.000 -0.248) 1.071 9.500 ( -4.406 0.000 1.093) 4.539 9.617 ( -7.026 0.000 4.442) 8.312 9.745 ( 3.555 0.000 0.858) 3.657 9.802 ( -1.753 0.000 -1.674) 2.424 9.875 ( 5.146 0.000 4.142) 6.606 9.958 ( 3.912 0.000 -1.768) 4.293 12.986 ( -0.400 0.000 2.333) 2.367 13.057 ( -1.370 0.000 -1.781) 2.247 13.107 ( 3.699 0.000 -2.160) 4.283 13.130 ( 4.071 0.000 1.959) 4.517 13.816 ( 1.882 0.000 4.675) 5.040 13.890 ( 3.015 0.000 -0.811) 3.122 13.923 ( 3.714 0.000 3.447) 5.068 13.931 ( 0.772 0.000 -0.090) 0.777 14.029 ( 3.290 0.000 -1.511) 3.620 14.085 ( 1.149 0.000 -2.124) 2.415 14.356 ( -1.404 0.000 -0.880) 1.657 14.380 ( -0.023 0.000 0.733) 0.734 14.436 ( -1.315 0.000 -0.547) 1.424 14.471 ( -0.811 0.000 -0.014) 0.811 14.678 ( -4.277 0.000 -1.866) 4.667 14.694 ( -2.004 0.000 4.935) 5.326 14.885 ( -9.251 0.000 2.948) 9.709 15.042 ( 4.984 0.000 -0.360) 4.997 15.049 ( 3.136 0.000 -6.161) 6.913 15.158 ( -3.467 0.000 2.433) 4.235 15.261 ( -3.391 0.000 4.907) 5.965 15.304 ( -1.796 0.000 -0.373) 1.835 15.422 ( 2.449 0.000 -0.855) 2.594 15.511 ( 2.902 0.000 0.436) 2.935 15.811 ( 5.895 0.000 2.589) 6.439 15.832 ( 3.431 0.000 -7.675) 8.407 15.930 ( -3.490 0.000 2.702) 4.414 16.114 ( 0.973 0.000 -1.233) 1.571 16.541 ( -19.991 0.000 -6.939) 21.161 16.618 ( -19.126 0.000 4.659) 19.685 17.115 ( 14.323 0.000 3.287) 14.696 17.359 ( 11.542 0.000 -4.865) 12.525 21.053 ( -0.635 0.000 -0.033) 0.635 21.062 ( -0.347 0.000 -0.353) 0.495 21.476 ( 0.288 0.000 0.498) 0.576 21.480 ( 0.710 0.000 0.599) 0.928 21.645 ( -4.806 0.000 -1.733) 5.109 21.648 ( -6.781 0.000 5.460) 8.706 21.920 ( 7.871 0.000 2.060) 8.136 22.103 ( 8.369 0.000 -3.146) 8.941 22.345 ( -0.607 0.000 1.936) 2.029 22.382 ( -0.675 0.000 -1.883) 2.000 22.506 ( 1.489 0.000 0.204) 1.503 22.548 ( 1.775 0.000 -3.827) 4.218 22.875 ( -1.055 0.000 6.710) 6.793 23.047 ( 4.667 0.000 7.991) 9.254 23.080 ( -2.015 0.000 -6.115) 6.438 23.131 ( 4.550 0.000 -8.428) 9.578 23.981 ( -11.199 0.000 -0.983) 11.242 24.000 ( -9.536 0.000 -0.164) 9.538 24.344 ( 1.143 0.000 2.744) 2.972 24.395 ( 5.765 0.000 -0.193) 5.768 24.444 ( 5.137 0.000 -4.200) 6.635 24.454 ( 3.002 0.000 -1.291) 3.267 24.493 ( 0.386 0.000 -2.781) 2.808 24.497 ( 1.994 0.000 1.046) 2.252 24.750 ( -2.327 0.000 3.188) 3.947 24.819 ( -2.935 0.000 -0.902) 3.071 24.890 ( 4.098 0.000 5.298) 6.698 24.940 ( 4.715 0.000 0.179) 4.719 25.435 ( -2.702 0.000 1.937) 3.324 25.532 ( -4.125 0.000 -4.033) 5.769 25.576 ( -1.913 0.000 3.781) 4.237 25.599 ( -3.140 0.000 -5.046) 5.944 ======================= Grid point 70 (36/48) ======================= q-point: (-0.17 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( -0.776 0.000 17.344) 17.362 1.048 ( 3.513 0.000 -18.176) 18.512 1.160 ( -9.543 0.000 16.730) 19.260 1.499 ( -7.990 0.000 -13.108) 15.351 1.761 ( -3.070 0.000 2.626) 4.040 1.778 ( -11.802 0.000 8.488) 14.537 1.847 ( -3.029 0.000 8.511) 9.034 1.879 ( 6.026 0.000 1.450) 6.198 2.002 ( 4.258 0.000 -2.533) 4.955 2.114 ( -1.410 0.000 -8.432) 8.549 2.204 ( 1.502 0.000 9.411) 9.530 2.242 ( 5.392 0.000 8.788) 10.310 2.379 ( 8.553 0.000 -7.071) 11.097 2.402 ( 10.149 0.000 -2.049) 10.354 2.403 ( -0.070 0.000 7.164) 7.164 2.471 ( 1.331 0.000 -5.315) 5.479 2.517 ( 1.277 0.000 5.118) 5.275 2.664 ( -1.891 0.000 -4.768) 5.129 2.746 ( 0.972 0.000 -1.330) 1.647 2.856 ( 0.164 0.000 -3.286) 3.290 2.860 ( -0.769 0.000 2.744) 2.850 2.928 ( 0.025 0.000 1.360) 1.360 2.948 ( -0.839 0.000 -6.857) 6.908 3.023 ( 2.173 0.000 -3.697) 4.288 3.050 ( -2.057 0.000 1.603) 2.608 3.157 ( -2.597 0.000 -8.742) 9.120 3.340 ( -10.240 0.000 -0.314) 10.245 3.378 ( -2.490 0.000 -2.732) 3.697 3.561 ( 2.362 0.000 3.795) 4.470 3.647 ( -1.158 0.000 1.467) 1.869 3.663 ( 5.223 0.000 -2.860) 5.954 3.760 ( 2.687 0.000 2.608) 3.745 3.868 ( 5.499 0.000 0.485) 5.520 3.948 ( 1.339 0.000 -5.905) 6.055 4.071 ( 6.199 0.000 4.922) 7.916 4.097 ( 1.735 0.000 15.506) 15.603 4.126 ( 7.154 0.000 2.407) 7.548 4.345 ( -4.285 0.000 11.664) 12.426 4.448 ( 1.877 0.000 2.027) 2.762 4.484 ( -0.557 0.000 -5.572) 5.600 4.522 ( -0.933 0.000 -2.203) 2.392 4.651 ( -0.855 0.000 4.519) 4.599 4.778 ( -6.244 0.000 -11.669) 13.235 4.886 ( -0.429 0.000 -6.018) 6.034 4.991 ( 3.722 0.000 0.770) 3.801 5.098 ( -4.152 0.000 8.337) 9.314 5.133 ( -0.708 0.000 0.445) 0.837 5.179 ( -1.452 0.000 -6.225) 6.392 5.217 ( -1.812 0.000 6.631) 6.874 5.292 ( -0.203 0.000 1.236) 1.253 5.426 ( 2.944 0.000 -0.293) 2.958 5.524 ( -0.873 0.000 5.671) 5.738 5.713 ( -3.404 0.000 -4.960) 6.016 5.752 ( 6.641 0.000 -3.519) 7.516 5.848 ( 4.067 0.000 -0.766) 4.139 5.938 ( -12.495 0.000 -2.049) 12.662 6.067 ( -8.087 0.000 -3.057) 8.646 6.158 ( -3.219 0.000 -4.989) 5.937 6.311 ( -1.659 0.000 7.167) 7.356 6.391 ( -0.232 0.000 0.296) 0.376 6.517 ( -0.482 0.000 2.913) 2.952 6.586 ( 5.846 0.000 -7.554) 9.552 6.860 ( 7.946 0.000 -4.644) 9.203 6.942 ( 0.192 0.000 -0.518) 0.552 6.974 ( -4.233 0.000 -0.682) 4.287 6.984 ( 0.465 0.000 1.410) 1.484 7.200 ( 5.791 0.000 -0.290) 5.798 7.314 ( 2.973 0.000 1.589) 3.371 7.354 ( 3.696 0.000 -0.170) 3.700 7.439 ( -4.274 0.000 2.568) 4.987 7.565 ( -1.124 0.000 6.453) 6.550 7.583 ( -0.521 0.000 -4.205) 4.237 7.690 ( -1.524 0.000 -5.067) 5.291 7.729 ( -0.494 0.000 -0.615) 0.789 7.862 ( 3.620 0.000 1.463) 3.904 8.058 ( -5.100 0.000 -0.522) 5.126 8.167 ( -3.860 0.000 2.184) 4.435 8.192 ( -3.040 0.000 -1.225) 3.278 8.400 ( 2.184 0.000 -1.370) 2.578 8.414 ( 1.031 0.000 -1.045) 1.468 8.619 ( 2.908 0.000 1.278) 3.176 8.813 ( -1.639 0.000 -1.953) 2.549 8.859 ( -1.358 0.000 -5.328) 5.498 8.945 ( -2.366 0.000 -3.937) 4.593 9.089 ( 4.225 0.000 3.610) 5.557 9.250 ( -1.380 0.000 0.960) 1.680 9.395 ( -6.394 0.000 -0.814) 6.445 9.451 ( -9.486 0.000 2.995) 9.948 9.793 ( 0.514 0.000 0.820) 0.968 9.797 ( 1.657 0.000 1.365) 2.147 9.976 ( 4.523 0.000 2.105) 4.989 10.023 ( 2.594 0.000 -0.969) 2.769 12.991 ( 0.613 0.000 1.781) 1.884 13.041 ( -0.350 0.000 -2.010) 2.041 13.184 ( 4.055 0.000 -1.973) 4.510 13.196 ( 2.496 0.000 1.722) 3.032 13.856 ( 1.663 0.000 4.810) 5.090 13.905 ( 0.423 0.000 -1.927) 1.973 13.987 ( 2.624 0.000 2.452) 3.592 14.026 ( 6.218 0.000 -2.067) 6.552 14.124 ( 3.041 0.000 0.989) 3.197 14.134 ( 7.623 0.000 0.053) 7.623 14.315 ( -3.058 0.000 -2.846) 4.178 14.366 ( -2.080 0.000 1.228) 2.416 14.407 ( -1.540 0.000 -0.862) 1.765 14.413 ( -4.214 0.000 1.087) 4.352 14.599 ( -8.060 0.000 5.877) 9.975 14.614 ( -1.812 0.000 -3.304) 3.769 14.798 ( 2.136 0.000 1.604) 2.671 15.030 ( -6.205 0.000 0.944) 6.277 15.136 ( 3.758 0.000 -1.738) 4.140 15.145 ( 3.926 0.000 -4.722) 6.141 15.292 ( 2.619 0.000 -4.048) 4.822 15.292 ( 4.415 0.000 9.657) 10.619 15.461 ( 1.732 0.000 1.324) 2.180 15.531 ( -0.376 0.000 0.089) 0.386 15.779 ( -10.158 0.000 1.934) 10.340 15.907 ( 3.184 0.000 -7.827) 8.450 15.916 ( 0.832 0.000 -0.565) 1.005 16.121 ( -0.273 0.000 0.860) 0.903 16.216 ( -10.627 0.000 0.199) 10.629 16.255 ( -17.598 0.000 0.618) 17.609 17.344 ( 9.234 0.000 4.569) 10.303 17.531 ( 6.243 0.000 -4.801) 7.876 21.041 ( -0.434 0.000 0.101) 0.446 21.053 ( -0.455 0.000 -0.470) 0.654 21.482 ( 0.131 0.000 1.431) 1.437 21.495 ( 0.675 0.000 0.667) 0.949 21.539 ( -4.178 0.000 4.369) 6.045 21.576 ( -2.155 0.000 -3.076) 3.756 22.061 ( 6.383 0.000 2.958) 7.036 22.242 ( 5.838 0.000 -4.201) 7.193 22.329 ( -1.019 0.000 2.199) 2.423 22.350 ( -2.850 0.000 -1.730) 3.334 22.537 ( 1.583 0.000 0.216) 1.597 22.591 ( 2.435 0.000 -4.494) 5.111 22.859 ( -0.347 0.000 6.222) 6.232 23.045 ( -1.629 0.000 -6.187) 6.397 23.189 ( 9.895 0.000 7.514) 12.425 23.252 ( 8.164 0.000 -8.326) 11.661 23.734 ( -14.648 0.000 0.507) 14.657 23.807 ( -10.201 0.000 -2.141) 10.424 24.354 ( 0.610 0.000 2.598) 2.669 24.434 ( 0.350 0.000 -0.963) 1.025 24.492 ( 0.047 0.000 1.207) 1.208 24.499 ( 0.011 0.000 -1.929) 1.929 24.556 ( 5.494 0.000 -1.180) 5.620 24.578 ( 5.060 0.000 -2.409) 5.604 24.710 ( -1.939 0.000 2.954) 3.533 24.763 ( -2.597 0.000 -0.958) 2.768 25.018 ( 9.624 0.000 4.452) 10.603 25.045 ( 5.784 0.000 2.137) 6.166 25.383 ( -2.324 0.000 0.932) 2.504 25.436 ( -4.706 0.000 -2.178) 5.186 25.503 ( -5.377 0.000 2.118) 5.779 25.510 ( -6.674 0.000 -4.842) 8.245 ======================= Grid point 71 (37/48) ======================= q-point: ( 0.00 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( -3.169 14.785 14.017) 20.619 1.061 ( -1.047 6.971 16.598) 18.033 1.234 ( 3.352 7.863 -14.031) 16.430 1.439 ( 0.702 1.572 -11.259) 11.390 1.724 ( 2.192 4.664 8.382) 9.839 1.774 ( -1.452 1.708 5.979) 6.385 1.853 ( -1.440 4.635 6.258) 7.920 1.934 ( -0.397 -2.098 2.189) 3.058 2.047 ( 2.742 -1.274 -9.522) 9.990 2.057 ( -1.668 -3.699 -8.378) 9.309 2.254 ( 2.258 -1.392 7.745) 8.187 2.304 ( 2.606 3.196 8.178) 9.159 2.349 ( -2.734 -4.769 4.329) 6.997 2.389 ( -0.039 -6.562 -0.689) 6.599 2.414 ( 1.208 -1.635 -1.465) 2.505 2.487 ( 2.073 -6.190 -1.360) 6.668 2.517 ( 1.909 -6.954 -2.881) 7.765 2.578 ( -3.645 -3.229 -7.194) 8.687 2.703 ( 0.256 2.217 3.293) 3.978 2.834 ( 0.584 4.309 -6.540) 7.853 2.878 ( -4.577 1.182 3.422) 5.836 2.940 ( 0.124 -0.355 -0.300) 0.480 2.982 ( 0.709 0.490 -3.163) 3.279 3.056 ( 2.783 2.407 -1.327) 3.912 3.093 ( -1.886 -0.740 -2.800) 3.456 3.130 ( -0.627 1.355 -2.953) 3.309 3.262 ( -1.456 4.278 4.782) 6.579 3.365 ( 0.829 3.113 -3.988) 5.126 3.583 ( -0.374 -0.380 2.704) 2.756 3.653 ( 0.241 2.020 -4.548) 4.983 3.738 ( -0.505 1.594 3.466) 3.849 3.816 ( -1.078 2.522 0.094) 2.744 3.931 ( -1.651 3.543 6.911) 7.940 4.047 ( 0.312 6.042 -2.427) 6.519 4.093 ( 0.193 -3.010 8.245) 8.780 4.165 ( 0.579 3.145 0.679) 3.269 4.197 ( 4.293 -7.700 12.561) 15.346 4.303 ( 2.445 -0.686 6.317) 6.808 4.441 ( -2.678 0.148 -3.407) 4.337 4.486 ( -0.754 -0.009 -0.264) 0.799 4.544 ( -0.249 1.345 -1.626) 2.125 4.568 ( -4.838 -2.688 -7.676) 9.464 4.729 ( 1.207 -0.467 1.895) 2.295 4.887 ( 2.687 1.431 -6.508) 7.185 4.955 ( -4.583 -0.289 1.498) 4.830 4.998 ( 5.284 -2.881 -2.424) 6.488 5.157 ( -0.825 -0.174 5.442) 5.507 5.205 ( -0.379 4.050 0.458) 4.093 5.255 ( 2.761 2.674 0.263) 3.853 5.319 ( 2.009 -2.510 -4.098) 5.209 5.491 ( -1.323 -1.624 6.081) 6.432 5.540 ( -4.134 5.674 1.929) 7.280 5.671 ( -3.450 0.378 0.770) 3.555 5.733 ( 4.503 1.859 -3.003) 5.723 5.838 ( -3.388 -6.246 -4.111) 8.209 5.865 ( 5.334 -3.359 -3.228) 7.082 6.013 ( 4.207 1.340 -0.903) 4.507 6.056 ( -6.391 1.813 -2.041) 6.949 6.228 ( 1.722 -5.417 1.977) 6.018 6.322 ( 0.983 -5.885 -5.835) 8.346 6.539 ( -0.950 -0.195 2.292) 2.489 6.654 ( -1.733 -1.498 -6.365) 6.765 6.793 ( -4.877 -1.612 8.111) 9.601 6.923 ( -2.862 0.993 2.082) 3.676 6.975 ( 0.153 -2.700 -5.265) 5.919 7.029 ( 7.283 1.837 -6.121) 9.689 7.281 ( 2.248 0.815 2.481) 3.446 7.341 ( -3.957 0.229 -1.755) 4.335 7.379 ( 1.356 1.821 5.104) 5.586 7.500 ( 0.647 4.365 -2.248) 4.953 7.541 ( 2.341 -4.216 4.553) 6.632 7.580 ( -0.330 0.705 1.931) 2.082 7.654 ( 0.025 -2.336 -5.526) 6.000 7.704 ( -0.101 -3.628 -6.731) 7.647 7.866 ( -3.353 -2.638 2.687) 5.042 7.932 ( 3.825 -2.576 -2.621) 5.305 8.191 ( 1.960 4.750 2.252) 5.611 8.248 ( 0.809 5.559 -3.045) 6.390 8.408 ( -1.816 0.171 1.097) 2.129 8.434 ( 0.931 -0.088 -1.234) 1.549 8.621 ( 1.480 -5.789 2.199) 6.368 8.682 ( -1.827 -5.876 -3.570) 7.114 8.867 ( -5.764 2.922 2.145) 6.809 8.886 ( -0.201 2.658 0.562) 2.724 9.162 ( 0.138 -1.497 2.399) 2.831 9.221 ( 1.556 -3.000 -2.744) 4.354 9.390 ( -0.182 7.331 1.907) 7.577 9.436 ( 1.234 6.544 -2.572) 7.139 9.809 ( -0.769 0.704 2.077) 2.324 9.819 ( 0.331 1.116 1.070) 1.581 9.996 ( 0.259 -2.652 1.274) 2.954 10.019 ( -0.003 -2.666 -0.919) 2.819 13.016 ( 0.174 1.488 1.784) 2.329 13.057 ( -0.164 1.613 -2.095) 2.649 13.192 ( -1.529 -1.390 1.829) 2.759 13.230 ( 1.195 -1.055 -1.891) 2.473 13.877 ( -0.047 0.930 4.062) 4.168 13.936 ( 0.491 1.402 -1.683) 2.245 14.010 ( -1.258 0.467 3.006) 3.292 14.063 ( 0.223 -3.317 -0.937) 3.454 14.172 ( 0.849 -1.891 1.278) 2.435 14.201 ( -1.191 -2.612 -1.040) 3.053 14.263 ( -0.659 -0.445 0.762) 1.101 14.280 ( 1.993 -1.501 -1.099) 2.727 14.339 ( -0.568 -2.177 0.821) 2.395 14.364 ( 0.575 -1.529 -1.380) 2.139 14.505 ( -1.026 0.634 4.265) 4.432 14.620 ( 3.164 -1.194 -5.604) 6.546 14.913 ( 4.673 0.148 0.944) 4.770 14.932 ( -3.112 -0.548 0.104) 3.162 15.063 ( -7.786 -5.885 4.911) 10.926 15.109 ( -1.676 -2.965 0.700) 3.477 15.260 ( -0.009 5.208 5.139) 7.317 15.406 ( 4.163 0.177 -6.751) 7.933 15.525 ( 3.131 0.594 3.623) 4.825 15.559 ( -1.941 3.750 -0.771) 4.293 15.712 ( 4.705 -1.415 1.513) 5.141 15.794 ( -6.224 -2.823 -4.162) 8.002 15.988 ( -0.423 1.021 2.769) 2.982 16.065 ( 2.277 -1.758 -2.931) 4.107 16.271 ( 0.998 14.070 2.633) 14.349 16.356 ( -0.377 17.650 -6.140) 18.691 17.374 ( 1.649 -7.484 4.704) 8.992 17.475 ( -1.451 -9.227 -4.283) 10.276 21.102 ( -0.069 5.517 0.574) 5.547 21.126 ( 0.371 6.322 -1.658) 6.546 21.446 ( -0.257 -2.296 3.904) 4.536 21.516 ( 0.428 -2.745 -2.148) 3.512 21.576 ( -1.155 6.732 1.569) 7.008 21.627 ( 2.035 8.886 -3.077) 9.621 22.104 ( 1.198 -3.680 4.806) 6.170 22.213 ( -5.022 -4.033 -4.614) 7.923 22.330 ( -0.233 1.406 1.456) 2.038 22.339 ( 1.807 0.888 -0.013) 2.013 22.549 ( -0.130 -0.606 0.019) 0.620 22.597 ( -0.400 -1.706 -4.454) 4.786 22.890 ( 1.432 1.644 5.531) 5.946 23.010 ( -0.418 -0.989 -4.997) 5.112 23.274 ( -9.879 -0.040 5.213) 11.171 23.377 ( 2.316 -1.366 -2.862) 3.927 23.483 ( 7.874 -6.465 1.453) 10.291 23.576 ( -1.365 -7.497 -6.531) 10.036 24.359 ( 0.020 -0.627 2.699) 2.771 24.402 ( -1.373 -1.372 -1.246) 2.306 24.493 ( -0.475 1.008 1.007) 1.502 24.511 ( 0.758 0.558 -0.634) 1.135 24.607 ( -0.847 -0.195 0.888) 1.242 24.618 ( 0.316 -0.207 -0.125) 0.398 24.730 ( -0.355 3.295 2.946) 4.434 24.783 ( 0.232 2.749 -1.720) 3.251 25.116 ( 0.875 -0.382 3.148) 3.289 25.173 ( 1.947 -1.821 -1.881) 3.263 25.348 ( -0.758 -0.967 0.105) 1.233 25.361 ( -0.492 -1.321 -1.113) 1.796 25.421 ( 1.214 1.326 0.572) 1.887 25.436 ( -0.846 1.219 -0.862) 1.716 ======================= Grid point 72 (38/48) ======================= q-point: ( 0.17 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( 0.472 16.062 9.977) 18.914 1.119 ( 5.087 12.264 10.830) 17.134 1.285 ( 1.051 3.235 -11.690) 12.175 1.509 ( 5.580 -1.099 -12.417) 13.658 1.737 ( 0.213 -1.358 5.287) 5.463 1.820 ( 0.936 -2.901 4.026) 5.050 1.880 ( 6.170 2.956 0.744) 6.882 1.916 ( -0.825 4.594 5.608) 7.296 1.977 ( -1.416 0.271 -5.560) 5.744 2.144 ( 2.568 -3.238 -2.488) 4.824 2.238 ( -5.457 -0.167 0.990) 5.548 2.277 ( -8.407 -3.126 -2.950) 9.442 2.296 ( 0.272 -0.733 3.344) 3.434 2.364 ( -0.658 0.279 5.753) 5.797 2.459 ( 0.047 -3.428 -4.373) 5.556 2.485 ( 0.867 -1.815 2.261) 3.026 2.502 ( -0.740 -2.297 -3.514) 4.263 2.591 ( -2.589 -2.181 2.411) 4.155 2.671 ( 2.574 -3.307 3.068) 5.194 2.809 ( -0.124 0.586 -4.674) 4.712 2.850 ( 0.416 3.087 0.019) 3.115 2.923 ( -3.049 1.541 -2.047) 3.983 2.997 ( -2.884 -1.595 -0.798) 3.391 3.022 ( 2.555 2.156 -1.737) 3.767 3.098 ( 1.825 3.469 -0.945) 4.032 3.143 ( 0.875 1.861 0.167) 2.063 3.313 ( 4.006 1.101 3.523) 5.447 3.402 ( 2.776 2.751 -1.634) 4.236 3.559 ( -1.995 -2.712 3.477) 4.840 3.650 ( -3.102 0.414 -4.798) 5.728 3.715 ( -1.152 2.570 2.569) 3.812 3.787 ( 0.020 3.760 -4.204) 5.640 3.851 ( -5.322 3.354 8.047) 10.214 4.018 ( -4.017 3.553 3.861) 6.608 4.049 ( -3.552 2.364 1.126) 4.413 4.074 ( -8.241 2.003 2.784) 8.926 4.310 ( 5.327 -9.079 8.781) 13.708 4.335 ( 1.455 1.012 4.980) 5.286 4.415 ( 0.735 0.353 -1.684) 1.871 4.462 ( -0.972 -1.109 0.522) 1.564 4.512 ( -1.014 5.019 3.410) 6.152 4.551 ( 0.101 -2.963 -9.146) 9.615 4.739 ( 0.436 -7.673 1.430) 7.817 4.898 ( -0.352 1.064 -5.315) 5.432 4.977 ( 2.550 1.316 -1.624) 3.297 5.107 ( -4.900 -0.046 3.732) 6.159 5.157 ( 5.890 0.745 -0.581) 5.965 5.196 ( 3.317 -1.669 -1.275) 3.926 5.290 ( -1.376 -1.305 0.153) 1.903 5.362 ( 2.924 1.928 -0.465) 3.533 5.372 ( -3.052 -4.041 5.991) 7.845 5.476 ( -3.024 3.047 0.749) 4.358 5.714 ( -2.260 -1.243 -0.660) 2.663 5.728 ( 2.557 1.875 -3.644) 4.830 5.878 ( -1.699 3.841 -1.533) 4.471 5.965 ( 6.367 -3.121 -2.165) 7.413 6.014 ( 7.384 -0.855 -4.570) 8.726 6.114 ( 5.990 -1.092 2.728) 6.672 6.263 ( 1.899 -5.919 -1.789) 6.468 6.356 ( 1.984 -0.389 -3.894) 4.388 6.482 ( -2.731 -1.707 3.087) 4.461 6.622 ( -1.878 -1.403 -3.649) 4.337 6.717 ( -3.272 1.844 6.035) 7.109 6.828 ( -4.972 1.003 0.732) 5.125 6.972 ( -2.133 -4.278 -2.961) 5.623 7.112 ( 0.442 0.533 -4.794) 4.844 7.230 ( -2.869 1.676 -1.774) 3.767 7.306 ( -1.063 3.120 4.217) 5.352 7.428 ( 0.301 -0.348 1.980) 2.033 7.492 ( -0.650 3.980 -0.293) 4.044 7.598 ( 4.267 -0.180 -2.430) 4.914 7.624 ( 0.932 -5.840 -3.528) 6.887 7.676 ( 2.330 0.633 -2.277) 3.318 7.696 ( 0.665 -6.558 -2.214) 6.953 7.822 ( 0.393 1.007 -0.723) 1.301 8.019 ( 3.529 -3.257 -1.521) 5.037 8.236 ( 2.270 2.442 0.347) 3.352 8.269 ( 0.929 5.568 -3.569) 6.678 8.403 ( 1.693 1.342 0.056) 2.161 8.431 ( -1.191 1.422 -1.097) 2.155 8.602 ( -1.767 -5.200 -1.137) 5.609 8.666 ( -1.491 -5.372 2.268) 6.019 8.791 ( 0.078 -0.364 1.761) 1.799 8.848 ( -5.277 -0.050 4.898) 7.200 9.135 ( 1.727 0.962 -0.294) 1.999 9.331 ( 3.819 -2.478 1.140) 4.693 9.370 ( 2.110 7.760 0.152) 8.043 9.557 ( 8.129 3.034 -2.584) 9.054 9.775 ( -2.494 0.288 2.200) 3.338 9.814 ( -0.969 1.885 1.583) 2.646 9.970 ( -2.892 -2.546 1.354) 4.084 9.991 ( -2.662 -2.122 -1.205) 3.611 13.009 ( -0.738 0.895 1.983) 2.298 13.051 ( -0.289 1.567 -1.805) 2.408 13.134 ( -4.029 -0.968 1.905) 4.560 13.219 ( -2.215 -1.179 -1.446) 2.896 13.868 ( -0.901 0.763 4.199) 4.362 13.926 ( -2.177 0.268 -0.420) 2.233 13.945 ( -4.484 0.600 2.320) 5.084 14.015 ( -2.733 -1.185 -0.820) 3.090 14.124 ( -3.503 -0.827 -0.012) 3.600 14.173 ( -5.021 0.967 -0.955) 5.202 14.244 ( 2.284 -3.673 -0.156) 4.328 14.313 ( 0.154 -5.062 -0.357) 5.077 14.388 ( 4.145 -0.003 -0.328) 4.158 14.434 ( 5.049 0.100 -0.419) 5.067 14.539 ( 3.412 0.749 2.446) 4.265 14.720 ( 6.218 -2.717 -5.852) 8.961 14.874 ( -2.315 1.530 -1.365) 3.092 14.902 ( -4.034 -3.747 9.155) 10.683 15.037 ( 5.523 0.777 0.717) 5.624 15.062 ( -1.913 -0.861 2.913) 3.590 15.286 ( 2.096 5.013 1.650) 5.679 15.442 ( -1.414 -0.355 -3.501) 3.793 15.502 ( -2.211 2.018 -1.273) 3.252 15.584 ( 1.947 3.476 1.998) 4.457 15.713 ( -3.301 -2.234 -0.067) 3.987 15.843 ( 7.114 1.676 0.654) 7.338 16.023 ( 2.139 -1.290 -2.809) 3.759 16.133 ( 2.193 -1.015 0.039) 2.417 16.291 ( 3.394 10.116 0.479) 10.681 16.447 ( 11.271 10.872 -6.826) 17.082 17.331 ( -6.277 -7.988 3.784) 10.841 17.378 ( -8.195 -7.617 -3.830) 11.826 21.105 ( 0.425 5.435 0.383) 5.465 21.139 ( 0.847 7.183 -1.799) 7.454 21.471 ( 2.661 -2.350 3.559) 5.027 21.529 ( 0.350 -0.477 -1.810) 1.905 21.555 ( -0.763 5.958 1.314) 6.149 21.669 ( 2.739 5.323 -3.792) 7.086 22.048 ( -7.723 -4.249 3.032) 9.321 22.089 ( -5.835 -2.185 2.775) 6.820 22.338 ( 0.764 0.995 1.148) 1.701 22.370 ( 1.131 0.211 -1.328) 1.758 22.524 ( -2.216 -1.094 -0.014) 2.472 22.573 ( -1.734 -1.202 -2.975) 3.647 22.920 ( 1.149 1.171 5.488) 5.728 23.010 ( 0.197 -0.560 -4.394) 4.433 23.065 ( -7.326 1.036 6.116) 9.599 23.274 ( -7.350 -3.488 -3.852) 9.002 23.729 ( 12.757 -5.190 -2.531) 14.003 23.735 ( 13.177 -5.354 -3.901) 14.748 24.347 ( -1.280 -1.248 3.399) 3.841 24.379 ( -0.965 -1.315 0.176) 1.640 24.481 ( -0.883 1.614 0.505) 1.908 24.518 ( -0.739 0.813 -0.506) 1.210 24.568 ( -3.559 1.622 1.241) 4.104 24.575 ( -3.638 1.439 -0.283) 3.922 24.744 ( 1.779 1.178 1.569) 2.649 24.788 ( 0.332 1.862 -0.509) 1.958 25.042 ( -7.347 -1.609 0.413) 7.533 25.055 ( -7.861 -1.309 -0.318) 7.976 25.397 ( 3.957 -0.250 0.320) 3.977 25.417 ( 4.202 -0.397 0.858) 4.307 25.454 ( 3.193 1.396 -0.504) 3.521 25.554 ( 7.962 -1.319 -3.412) 8.762 ======================= Grid point 73 (39/48) ======================= q-point: ( 0.33 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( 9.085 11.583 -1.639) 14.812 1.165 ( -1.038 11.667 -7.240) 13.770 1.322 ( 3.249 -0.930 -1.830) 3.843 1.538 ( -7.801 1.223 -7.473) 10.872 1.716 ( -3.647 -3.072 0.967) 4.866 1.759 ( 2.248 -2.147 2.532) 4.009 1.909 ( -4.131 -3.701 2.938) 6.276 1.921 ( -1.176 -1.143 2.336) 2.855 2.074 ( 1.560 1.149 -0.722) 2.068 2.132 ( 0.511 0.166 -0.491) 0.728 2.162 ( 5.476 2.699 -2.548) 6.615 2.217 ( 1.911 2.152 -3.675) 4.668 2.275 ( -6.516 3.355 2.867) 7.869 2.310 ( -1.667 -1.817 1.495) 2.884 2.405 ( -4.972 0.553 0.023) 5.002 2.502 ( 5.384 -1.834 -5.972) 8.247 2.535 ( -0.357 -1.584 4.345) 4.638 2.574 ( 0.306 1.269 1.988) 2.378 2.704 ( 0.312 -1.202 0.192) 1.257 2.769 ( -6.549 2.060 -2.443) 7.287 2.904 ( 4.318 -0.288 -0.282) 4.337 2.931 ( 7.889 3.631 5.128) 10.085 2.994 ( 2.446 -0.800 1.058) 2.783 3.087 ( 3.303 2.961 -2.874) 5.285 3.137 ( 1.777 3.647 0.782) 4.131 3.169 ( 2.497 -0.614 -0.473) 2.615 3.353 ( 0.221 -0.918 2.769) 2.926 3.445 ( -9.643 0.182 -0.764) 9.675 3.479 ( -1.725 0.473 1.239) 2.176 3.549 ( 2.012 -4.139 1.550) 4.856 3.678 ( -5.766 0.373 1.556) 5.984 3.805 ( -6.399 0.307 1.550) 6.591 3.808 ( 2.589 5.982 0.218) 6.522 3.885 ( -1.535 2.804 3.659) 4.859 3.935 ( -3.055 1.260 1.420) 3.597 4.063 ( 0.862 5.830 -3.712) 6.964 4.283 ( -4.573 4.456 8.027) 10.257 4.362 ( 2.606 -2.772 -4.186) 5.656 4.435 ( -2.391 -0.539 2.896) 3.794 4.508 ( -0.285 2.571 1.010) 2.777 4.552 ( 7.769 -3.669 10.133) 13.285 4.565 ( 4.030 -4.606 -4.840) 7.803 4.749 ( 0.445 -7.804 -0.836) 7.861 4.852 ( -5.281 -0.019 0.063) 5.281 4.988 ( -3.429 1.209 3.263) 4.885 5.011 ( -1.450 1.389 -4.267) 4.715 5.149 ( -1.849 -5.523 1.568) 6.032 5.199 ( -4.183 -4.811 2.972) 7.034 5.304 ( 1.214 -1.486 -3.293) 3.812 5.377 ( -2.670 3.712 -0.023) 4.572 5.414 ( 5.123 -2.595 1.693) 5.988 5.524 ( 7.853 1.760 -1.798) 8.246 5.647 ( -3.114 1.385 -2.558) 4.262 5.754 ( -2.043 1.203 0.472) 2.417 5.842 ( 1.730 1.951 -2.598) 3.681 6.058 ( 0.070 -3.742 -1.502) 4.033 6.181 ( 8.329 1.033 -2.767) 8.837 6.241 ( 6.159 -1.544 1.807) 6.602 6.316 ( 2.704 -4.622 0.462) 5.375 6.344 ( 0.265 -0.255 3.827) 3.845 6.506 ( 0.958 1.736 -3.188) 3.754 6.602 ( 0.910 -4.321 -3.451) 5.605 6.698 ( 2.609 3.463 -0.566) 4.373 6.760 ( -0.802 1.812 0.494) 2.043 6.896 ( -5.155 -5.033 -1.569) 7.374 7.036 ( -7.221 0.922 -2.300) 7.635 7.220 ( 0.662 0.838 0.145) 1.078 7.291 ( -0.591 4.199 0.550) 4.276 7.380 ( -3.345 2.971 6.827) 8.163 7.498 ( -0.380 0.815 -3.731) 3.838 7.612 ( -1.701 -3.214 -2.827) 4.606 7.621 ( -2.276 1.345 -6.610) 7.119 7.686 ( 2.776 -0.664 1.338) 3.153 7.752 ( 1.913 1.936 -4.171) 4.981 7.911 ( 7.420 -3.395 -3.129) 8.739 8.036 ( -1.901 -0.928 2.044) 2.942 8.258 ( 0.254 1.012 2.942) 3.122 8.301 ( 2.165 1.001 -3.758) 4.451 8.385 ( -1.091 0.724 -0.977) 1.633 8.448 ( 0.050 1.037 -2.144) 2.382 8.586 ( 0.244 -2.803 -2.243) 3.598 8.652 ( -1.074 -5.353 3.335) 6.398 8.746 ( -2.525 -2.950 3.966) 5.551 8.812 ( 0.863 -2.811 -0.401) 2.968 9.200 ( 4.283 1.184 2.550) 5.123 9.345 ( -0.288 3.189 0.298) 3.215 9.480 ( 6.776 1.014 1.289) 6.972 9.659 ( -0.645 -1.208 0.946) 1.664 9.750 ( 2.149 1.182 0.181) 2.460 9.793 ( -0.514 2.564 1.277) 2.910 9.896 ( -4.448 -1.550 2.387) 5.280 9.933 ( -3.066 -1.343 -2.187) 3.998 13.002 ( 0.328 -0.058 1.780) 1.811 13.050 ( -0.159 0.270 -0.625) 0.699 13.061 ( -2.731 0.484 1.169) 3.010 13.160 ( -3.510 -0.747 -1.207) 3.786 13.838 ( -2.329 -0.322 5.164) 5.674 13.865 ( -3.143 -0.539 1.621) 3.577 13.878 ( -1.779 1.177 0.441) 2.178 13.992 ( -0.675 1.173 -2.000) 2.415 14.055 ( -3.616 -0.353 0.170) 3.637 14.099 ( -1.787 2.199 -2.811) 3.991 14.279 ( 1.238 -4.811 0.286) 4.976 14.311 ( -0.161 -5.909 -0.301) 5.919 14.460 ( 3.050 2.191 -0.826) 3.845 14.493 ( 0.831 2.081 0.374) 2.272 14.614 ( 4.266 -0.685 1.632) 4.619 14.774 ( -1.024 -3.842 -2.978) 4.968 14.867 ( 2.327 1.041 4.397) 5.083 14.947 ( 5.691 -2.372 -0.933) 6.235 15.026 ( -0.169 1.522 2.781) 3.175 15.148 ( 3.778 -3.738 -0.305) 5.323 15.338 ( 3.563 4.731 -0.563) 5.949 15.389 ( -2.869 4.666 2.395) 5.978 15.467 ( -1.464 2.545 -2.107) 3.614 15.597 ( -4.494 3.337 -4.987) 7.497 15.666 ( 2.822 3.212 7.662) 8.774 15.916 ( -1.066 5.310 -0.034) 5.416 16.046 ( 1.729 0.970 -3.138) 3.712 16.111 ( -3.083 3.226 0.432) 4.483 16.462 ( 13.720 0.412 1.262) 13.784 16.733 ( 16.537 -1.760 -7.185) 18.116 17.138 ( -13.271 -7.372 -2.644) 15.410 17.188 ( -11.751 -5.701 1.543) 13.152 21.116 ( 0.670 5.846 0.509) 5.906 21.151 ( 0.394 7.844 -1.706) 8.037 21.506 ( -0.207 2.019 1.672) 2.629 21.531 ( -0.444 2.269 -1.454) 2.732 21.575 ( 4.442 -0.373 2.982) 5.363 21.734 ( 3.295 -0.614 -2.127) 3.970 21.904 ( -5.279 -2.953 0.394) 6.061 21.964 ( -7.495 -2.031 5.028) 9.251 22.349 ( 0.296 0.246 0.880) 0.961 22.382 ( 0.137 -0.182 -1.639) 1.655 22.487 ( -1.213 -0.865 0.570) 1.595 22.542 ( -1.241 -0.474 -2.384) 2.729 22.918 ( -1.087 1.250 7.908) 8.079 22.992 ( -0.288 0.537 3.764) 3.813 23.037 ( 1.185 0.109 -6.083) 6.198 23.163 ( -4.159 -3.078 -4.923) 7.142 23.956 ( 11.278 -3.626 -2.432) 12.094 23.979 ( 11.821 -3.536 -2.397) 12.570 24.305 ( -3.861 -1.752 3.278) 5.359 24.347 ( -3.944 -2.638 -0.479) 4.769 24.441 ( -3.711 3.902 3.595) 6.475 24.463 ( -1.874 2.690 -0.832) 3.382 24.494 ( -2.550 0.786 -1.693) 3.160 24.541 ( -1.331 0.678 -1.524) 2.134 24.784 ( 1.995 0.202 1.690) 2.622 24.801 ( 1.000 0.328 0.350) 1.109 24.899 ( -5.805 -1.503 2.071) 6.344 24.947 ( -4.251 -1.408 -1.444) 4.705 25.466 ( 2.387 0.220 1.931) 3.079 25.491 ( 3.710 -0.285 0.885) 3.824 25.526 ( 3.763 1.375 -0.842) 4.094 25.654 ( 2.298 -1.811 -4.714) 5.548 ======================= Grid point 74 (40/48) ======================= q-point: (-0.50 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( -3.129 5.902 -6.975) 9.658 1.137 ( -0.632 7.371 -9.292) 11.877 1.338 ( -0.291 0.845 -2.843) 2.980 1.361 ( 3.303 0.243 -6.722) 7.493 1.763 ( -5.264 -2.361 4.619) 7.390 1.767 ( 2.278 -0.853 2.757) 3.677 1.853 ( -0.873 -0.055 0.775) 1.168 1.872 ( 4.370 1.909 0.813) 4.837 2.086 ( -0.370 -1.213 3.166) 3.411 2.157 ( 0.240 2.848 -0.870) 2.988 2.183 ( -3.116 0.738 1.444) 3.513 2.225 ( 0.859 4.287 -1.741) 4.706 2.273 ( 0.091 -3.258 0.097) 3.261 2.328 ( 5.672 -1.660 -2.245) 6.321 2.363 ( -0.059 0.190 2.846) 2.853 2.399 ( -8.088 2.499 2.441) 8.810 2.587 ( -1.761 -2.072 -1.459) 3.086 2.644 ( 4.869 1.135 -6.128) 7.908 2.683 ( 0.570 0.672 -4.585) 4.669 2.697 ( -0.220 1.513 -4.309) 4.572 2.966 ( 0.983 0.887 4.729) 4.911 3.036 ( -3.278 -3.272 0.427) 4.652 3.061 ( 2.550 7.021 3.802) 8.382 3.098 ( -3.927 2.988 5.622) 7.480 3.171 ( -0.928 2.441 1.022) 2.805 3.212 ( 4.600 -0.887 -2.607) 5.361 3.310 ( 2.049 -0.357 -0.090) 2.081 3.326 ( 0.731 0.332 -2.636) 2.756 3.499 ( 1.028 -0.896 6.057) 6.209 3.559 ( -3.149 -3.017 1.860) 4.741 3.627 ( -3.311 -1.158 4.518) 5.719 3.645 ( 2.765 -3.048 3.467) 5.381 3.832 ( -0.638 6.929 1.675) 7.157 3.909 ( 0.847 3.990 -0.649) 4.130 3.972 ( 4.703 4.569 -1.866) 6.818 4.021 ( -4.991 5.607 -3.167) 8.147 4.244 ( -0.882 1.001 6.888) 7.016 4.380 ( -1.585 0.889 6.170) 6.432 4.419 ( 2.069 -1.676 -6.862) 7.360 4.496 ( 0.383 -1.894 -2.568) 3.214 4.601 ( -1.884 -2.857 4.437) 5.603 4.691 ( 2.758 -3.612 1.326) 4.734 4.743 ( -1.561 -2.482 4.925) 5.732 4.788 ( 3.904 -0.285 -1.052) 4.053 4.913 ( -2.729 0.223 4.802) 5.528 5.006 ( 0.597 -1.724 -2.672) 3.235 5.122 ( -0.941 -5.057 4.023) 6.530 5.149 ( -0.890 -7.714 -0.128) 7.766 5.298 ( -2.969 -0.340 -0.901) 3.122 5.357 ( 3.262 -0.990 -5.135) 6.163 5.500 ( 0.450 4.284 -2.268) 4.868 5.544 ( -0.279 3.077 -2.996) 4.304 5.686 ( -2.668 0.033 1.825) 3.232 5.704 ( 3.589 3.488 -2.287) 5.503 5.913 ( 4.757 -4.520 1.711) 6.781 5.981 ( -6.161 -2.187 -3.316) 7.330 6.219 ( -4.163 1.044 6.798) 8.040 6.336 ( 2.335 2.315 1.490) 3.610 6.352 ( 0.302 -4.288 -1.908) 4.703 6.407 ( 4.601 -2.934 -2.096) 5.846 6.532 ( 1.362 0.097 -2.406) 2.766 6.550 ( -2.975 -1.607 -2.808) 4.395 6.767 ( 2.881 -2.547 -0.840) 3.937 6.805 ( -3.537 -1.711 -4.190) 5.744 6.866 ( 0.062 0.814 -0.821) 1.158 6.904 ( 3.696 1.510 -4.803) 6.246 7.233 ( 0.527 3.479 1.752) 3.931 7.280 ( -0.506 2.391 -0.260) 2.457 7.319 ( -3.292 5.766 9.190) 11.338 7.481 ( 0.161 0.486 -0.738) 0.898 7.566 ( -0.939 -1.317 -1.184) 2.005 7.622 ( 0.176 1.537 -9.772) 9.894 7.706 ( -0.257 0.888 1.364) 1.648 7.776 ( 0.423 2.005 -4.683) 5.111 7.962 ( -5.180 0.022 3.725) 6.380 8.040 ( 5.123 -4.283 -3.777) 7.672 8.246 ( -1.716 -0.271 4.189) 4.535 8.338 ( 1.939 0.268 -2.629) 3.278 8.396 ( 0.737 -0.129 -0.033) 0.749 8.405 ( -3.517 0.734 -2.082) 4.153 8.557 ( -2.747 -4.835 4.610) 7.223 8.650 ( 2.974 -3.106 -3.345) 5.448 8.773 ( 2.147 -4.185 1.583) 4.963 8.826 ( 1.116 -3.885 -2.859) 4.951 9.274 ( 2.246 2.490 3.672) 4.973 9.319 ( -2.015 2.350 -0.550) 3.145 9.577 ( -3.939 -0.824 3.182) 5.130 9.607 ( 4.102 -0.698 0.534) 4.195 9.761 ( -1.700 1.744 3.995) 4.679 9.830 ( 0.082 0.252 1.379) 1.404 9.834 ( 0.560 0.381 -0.891) 1.119 9.890 ( -0.110 -0.968 -2.343) 2.538 13.006 ( -1.544 -0.167 1.778) 2.361 13.030 ( 1.974 -1.105 0.262) 2.278 13.077 ( 2.118 0.981 0.149) 2.338 13.101 ( -2.272 0.106 -1.405) 2.673 13.803 ( -0.756 0.178 3.842) 3.920 13.839 ( 0.338 -0.947 1.298) 1.642 13.875 ( 1.419 1.064 2.958) 3.449 13.967 ( -1.509 0.750 -4.057) 4.393 14.016 ( -0.408 1.446 1.876) 2.403 14.091 ( 0.390 1.829 -3.624) 4.078 14.290 ( -0.074 -5.649 0.901) 5.721 14.309 ( 0.016 -5.571 -0.780) 5.625 14.484 ( -1.142 2.076 0.687) 2.467 14.502 ( 1.132 3.014 -0.996) 3.371 14.681 ( 1.885 -1.488 2.126) 3.207 14.725 ( -3.100 -3.096 -1.498) 4.630 14.937 ( 3.469 -0.064 1.061) 3.628 14.975 ( -0.036 0.488 -2.301) 2.353 15.077 ( 0.637 -2.607 3.579) 4.474 15.147 ( -1.972 -2.141 -2.326) 3.726 15.358 ( -0.725 4.197 6.952) 8.153 15.404 ( 0.099 4.487 1.464) 4.721 15.441 ( -1.529 2.526 -0.656) 3.025 15.506 ( -0.299 4.959 -5.638) 7.515 15.773 ( 6.877 7.630 3.334) 10.800 15.860 ( -2.937 4.905 -3.626) 6.770 16.026 ( -3.874 2.737 3.646) 5.982 16.102 ( 2.109 1.358 -2.953) 3.874 16.752 ( 14.375 -3.483 3.465) 15.191 16.854 ( -15.336 -4.918 -5.653) 17.069 16.934 ( -14.189 -4.002 2.337) 14.926 17.031 ( 14.272 -6.326 -5.641) 16.599 21.124 ( -0.027 6.221 0.915) 6.288 21.152 ( -0.260 7.693 -1.592) 7.860 21.500 ( -0.203 2.354 1.209) 2.654 21.521 ( -0.050 3.498 -0.600) 3.550 21.666 ( 1.380 -4.372 4.226) 6.235 21.729 ( -1.242 -1.549 -1.380) 2.418 21.828 ( -4.969 -1.374 4.884) 7.101 21.927 ( 6.413 -2.151 -3.402) 7.571 22.350 ( -0.179 -0.062 1.032) 1.049 22.378 ( -0.294 -0.740 -1.761) 1.933 22.484 ( 0.794 -0.127 0.881) 1.193 22.529 ( -0.022 -0.282 -3.078) 3.091 22.904 ( -0.537 1.463 7.393) 7.555 22.997 ( 0.616 -0.050 4.479) 4.521 23.065 ( 1.858 -0.499 -6.848) 7.113 23.107 ( -1.885 -1.722 -4.996) 5.610 24.111 ( -0.327 -1.395 0.568) 1.541 24.125 ( -3.599 -1.797 -1.283) 4.222 24.234 ( 3.825 -2.389 -0.523) 4.541 24.253 ( 0.739 -3.003 -1.857) 3.607 24.420 ( 0.069 1.995 1.947) 2.788 24.455 ( 0.811 2.462 -1.707) 3.104 24.471 ( 0.341 0.470 0.887) 1.060 24.514 ( -1.017 0.558 -2.219) 2.504 24.790 ( -1.716 -0.357 3.302) 3.739 24.830 ( 1.640 -1.029 0.898) 2.134 24.848 ( 0.731 0.038 1.438) 1.613 24.887 ( -2.013 -1.008 -0.742) 2.370 25.481 ( -0.690 0.841 2.719) 2.928 25.546 ( 1.482 -0.672 -0.361) 1.667 25.580 ( 1.519 0.678 -0.684) 1.799 25.648 ( -2.304 -1.051 -4.057) 4.783 ======================= Grid point 75 (41/48) ======================= q-point: (-0.33 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( -6.565 9.782 4.066) 12.463 1.085 ( 1.348 8.586 -12.135) 14.927 1.388 ( -5.064 3.822 5.251) 8.235 1.503 ( 5.566 -3.446 -13.198) 14.733 1.663 ( 1.811 -1.917 3.056) 4.036 1.798 ( 1.065 -1.600 1.710) 2.573 1.900 ( 5.807 -1.657 4.076) 7.286 1.937 ( -2.162 -1.469 1.617) 3.073 2.080 ( -7.122 -2.003 -3.240) 8.077 2.132 ( -1.300 2.875 1.040) 3.322 2.146 ( 5.237 4.100 1.428) 6.803 2.202 ( -3.425 2.898 -5.142) 6.824 2.295 ( 5.470 2.845 1.631) 6.378 2.338 ( -1.469 -0.452 3.969) 4.257 2.363 ( 2.631 3.123 4.074) 5.769 2.408 ( 1.325 -3.992 -6.217) 7.506 2.553 ( -0.244 -3.675 0.263) 3.692 2.611 ( -5.753 2.673 6.339) 8.968 2.692 ( -1.427 -1.423 -1.108) 2.300 2.782 ( 5.133 1.395 -3.618) 6.433 2.866 ( -2.445 0.395 0.193) 2.484 2.985 ( -1.477 0.284 1.254) 1.958 3.035 ( -1.881 -0.617 -0.210) 1.990 3.095 ( -1.870 3.341 2.528) 4.588 3.119 ( -7.111 2.085 -3.130) 8.045 3.190 ( -0.357 -0.328 -4.385) 4.412 3.393 ( -0.005 -0.084 0.565) 0.571 3.418 ( 6.774 -1.542 3.116) 7.614 3.465 ( -1.478 -3.038 1.588) 3.733 3.568 ( 6.284 -1.367 -1.019) 6.511 3.686 ( 3.119 0.925 5.087) 6.038 3.728 ( 3.997 3.893 -3.631) 6.657 3.875 ( 5.407 2.711 4.140) 7.329 3.880 ( -3.294 5.983 3.305) 7.587 3.975 ( 3.711 3.731 -0.992) 5.355 4.035 ( 2.144 4.669 -3.133) 6.018 4.189 ( -3.936 0.414 8.552) 9.424 4.386 ( -3.215 -3.407 6.367) 7.904 4.416 ( -0.273 -1.568 3.115) 3.498 4.501 ( -0.503 -0.517 -4.761) 4.815 4.538 ( 0.321 -0.021 -0.469) 0.569 4.694 ( -0.958 -0.375 1.076) 1.489 4.776 ( 1.534 -4.707 -3.242) 5.918 4.842 ( -1.149 -2.037 -1.687) 2.884 4.912 ( 3.655 1.366 2.477) 4.621 5.056 ( 4.028 -3.594 1.562) 5.619 5.133 ( 2.073 -2.436 0.648) 3.264 5.149 ( 1.250 -6.506 3.174) 7.346 5.270 ( -1.610 1.482 2.738) 3.505 5.342 ( -3.203 4.623 0.761) 5.676 5.502 ( -3.901 1.155 -2.104) 4.580 5.562 ( 1.957 1.153 -6.817) 7.185 5.611 ( 0.113 -0.024 1.428) 1.433 5.767 ( 0.289 1.037 -1.858) 2.147 5.869 ( -2.431 3.127 -4.046) 5.662 6.008 ( 3.037 -8.056 2.781) 9.047 6.112 ( -7.010 -0.608 2.399) 7.434 6.243 ( -6.914 -1.725 2.227) 7.466 6.343 ( -6.659 -5.849 0.757) 8.896 6.374 ( -3.554 -2.087 -4.607) 6.182 6.553 ( -1.831 0.462 -0.284) 1.910 6.578 ( 5.823 4.466 -5.208) 8.999 6.739 ( 1.127 -0.070 -3.904) 4.064 6.845 ( 4.739 -0.040 -6.120) 7.740 6.889 ( 4.261 -3.605 -0.979) 5.667 7.009 ( 0.679 -2.938 -0.633) 3.081 7.189 ( -3.081 3.870 2.520) 5.552 7.306 ( 2.987 3.457 5.568) 7.202 7.326 ( 3.746 4.997 1.168) 6.354 7.503 ( 0.922 2.866 1.941) 3.581 7.563 ( 0.167 -1.877 1.647) 2.502 7.621 ( -0.151 2.513 -9.731) 10.052 7.691 ( -1.001 -0.733 1.684) 2.092 7.751 ( -3.271 -0.620 -3.828) 5.074 7.870 ( -3.480 -0.856 0.837) 3.680 8.075 ( -1.879 -4.989 -1.703) 5.597 8.204 ( -2.267 1.008 4.096) 4.789 8.314 ( -4.088 1.526 -0.968) 4.470 8.380 ( 2.487 1.589 -1.233) 3.198 8.414 ( 0.233 1.592 0.739) 1.770 8.541 ( 0.836 -4.163 1.744) 4.590 8.720 ( 2.387 -6.869 -1.592) 7.444 8.816 ( 4.346 -3.431 -1.756) 5.809 8.849 ( 0.973 -3.041 -4.734) 5.711 9.214 ( -6.214 3.427 1.312) 7.217 9.329 ( 0.988 3.906 1.366) 4.254 9.481 ( -5.415 -0.756 1.846) 5.771 9.622 ( -4.185 -0.248 3.294) 5.331 9.755 ( 2.181 1.174 0.182) 2.483 9.816 ( -0.975 1.205 -0.527) 1.637 9.872 ( 4.147 -0.172 3.444) 5.393 9.938 ( 3.320 -1.961 -1.580) 4.167 12.991 ( 0.047 0.556 1.889) 1.970 13.055 ( -0.140 -0.490 -0.597) 0.785 13.104 ( 3.226 0.142 -2.138) 3.873 13.132 ( 3.263 0.021 1.152) 3.461 13.816 ( 1.932 0.163 4.452) 4.856 13.882 ( 4.127 -0.947 1.056) 4.364 13.923 ( 3.056 0.562 3.156) 4.429 13.945 ( -0.575 1.115 -2.898) 3.158 14.044 ( 3.551 1.473 0.707) 3.909 14.101 ( 0.750 1.213 -2.532) 2.906 14.280 ( -1.010 -6.117 0.467) 6.217 14.308 ( -0.156 -5.280 -0.366) 5.295 14.450 ( -2.481 0.847 0.330) 2.643 14.498 ( -1.983 2.225 -0.280) 2.994 14.646 ( -3.594 -2.169 -0.568) 4.235 14.695 ( -1.770 -0.333 2.496) 3.078 14.908 ( -6.579 0.238 1.684) 6.795 15.007 ( 3.276 -2.387 -6.535) 7.690 15.061 ( 2.021 0.468 -0.399) 2.113 15.123 ( -3.333 -2.688 2.122) 4.779 15.291 ( -3.773 3.283 5.332) 7.310 15.377 ( -0.760 6.397 0.996) 6.519 15.452 ( 1.268 2.057 0.881) 2.572 15.550 ( 1.637 4.319 -1.265) 4.789 15.820 ( -0.018 0.110 -5.777) 5.778 15.911 ( 5.218 6.332 0.573) 8.225 15.958 ( -2.953 2.247 3.288) 4.958 16.132 ( 0.687 1.361 -0.595) 1.636 16.531 ( -16.330 -0.277 -4.517) 16.946 16.634 ( -14.749 2.249 0.951) 14.949 17.053 ( 13.695 -5.798 3.016) 15.175 17.271 ( 10.826 -8.227 -3.849) 14.132 21.116 ( -0.662 5.990 0.779) 6.077 21.143 ( -0.684 7.074 -1.134) 7.196 21.496 ( -0.485 0.946 1.652) 1.965 21.535 ( 1.446 3.710 -0.987) 4.102 21.603 ( -4.505 -2.594 2.748) 5.880 21.667 ( -4.500 2.526 0.811) 5.224 21.888 ( 7.473 -3.111 1.964) 8.329 22.073 ( 8.120 -3.243 -3.545) 9.435 22.344 ( -0.488 0.031 1.365) 1.450 22.372 ( -0.530 -0.798 -1.221) 1.552 22.508 ( 1.464 0.164 -0.029) 1.474 22.542 ( 1.542 -0.535 -3.664) 4.011 22.891 ( -0.977 1.513 6.097) 6.358 23.023 ( 1.696 -1.889 4.435) 5.110 23.085 ( 0.679 0.008 -3.346) 3.414 23.121 ( 4.065 -0.977 -7.007) 8.159 23.935 ( -12.463 -3.567 -1.102) 13.011 23.960 ( -10.883 -3.392 -0.387) 11.406 24.335 ( 2.402 -0.624 0.781) 2.601 24.379 ( 7.061 -2.460 -3.089) 8.090 24.431 ( 1.534 1.804 0.596) 2.442 24.483 ( 1.401 0.270 -0.181) 1.439 24.499 ( 2.225 1.471 1.332) 2.982 24.532 ( 3.795 2.035 -2.977) 5.235 24.755 ( -1.656 0.612 2.871) 3.370 24.826 ( -1.977 0.524 -0.461) 2.096 24.880 ( 3.554 -0.804 4.575) 5.849 24.920 ( 4.662 -1.749 0.069) 4.980 25.447 ( -2.652 1.175 2.005) 3.526 25.531 ( -3.383 -0.283 -2.371) 4.141 25.563 ( -3.334 -0.813 0.916) 3.552 25.596 ( -2.664 -0.433 -3.313) 4.273 ======================= Grid point 76 (42/48) ======================= q-point: (-0.17 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( 0.063 12.996 13.906) 19.033 1.142 ( 0.408 8.002 -7.720) 11.126 1.223 ( -7.049 7.385 5.937) 11.810 1.486 ( -4.027 -1.612 -14.692) 15.319 1.714 ( 0.035 -2.514 7.333) 7.752 1.805 ( -2.302 -0.863 3.420) 4.212 1.887 ( -0.529 1.835 1.432) 2.387 1.940 ( -2.359 4.867 4.623) 7.115 2.003 ( 1.494 -0.589 -4.900) 5.156 2.100 ( -2.054 -0.221 -3.060) 3.692 2.192 ( 4.146 -4.677 2.743) 6.826 2.277 ( -0.217 7.625 6.791) 10.212 2.319 ( 6.722 -3.782 -2.066) 7.985 2.370 ( 0.499 -4.250 -2.120) 4.776 2.398 ( -0.183 -1.567 4.312) 4.591 2.442 ( 0.656 -1.175 -0.219) 1.364 2.557 ( -0.788 -7.404 -1.345) 7.566 2.573 ( 4.660 5.315 4.733) 8.507 2.659 ( -0.710 -6.010 -0.567) 6.078 2.833 ( -0.367 0.188 -3.369) 3.394 2.899 ( 3.889 1.090 -0.732) 4.105 2.960 ( 0.034 -0.032 -3.623) 3.623 2.982 ( -5.339 6.541 -2.315) 8.755 3.021 ( -0.084 -1.224 -1.351) 1.825 3.079 ( 0.571 1.698 -1.680) 2.456 3.174 ( -1.765 0.826 -2.373) 3.070 3.355 ( -5.504 0.791 1.036) 5.656 3.379 ( -2.258 -0.703 -0.012) 2.365 3.554 ( 4.006 -0.460 3.547) 5.370 3.663 ( -0.187 0.877 -6.201) 6.266 3.719 ( 2.144 2.965 -0.092) 3.660 3.785 ( 3.711 3.068 -0.093) 4.816 3.901 ( 4.052 4.223 6.767) 8.946 3.975 ( 6.039 1.663 0.640) 6.297 4.053 ( 2.422 2.838 3.222) 4.930 4.131 ( 1.890 1.120 4.192) 4.733 4.158 ( 4.446 0.899 4.830) 6.626 4.261 ( -4.082 -5.261 10.375) 12.328 4.445 ( 1.453 -1.020 0.945) 2.011 4.526 ( -1.131 2.290 0.466) 2.596 4.532 ( 0.893 0.159 -5.192) 5.270 4.678 ( -2.066 -6.870 -11.530) 13.579 4.715 ( -3.998 3.047 6.124) 7.922 4.854 ( 1.661 -1.608 -5.496) 5.962 4.963 ( 0.760 -1.852 0.235) 2.016 5.094 ( -5.087 -0.759 4.680) 6.954 5.159 ( 0.194 0.304 3.640) 3.658 5.181 ( -0.472 2.798 0.817) 2.953 5.211 ( 3.571 -1.793 -0.797) 4.074 5.316 ( -3.182 1.827 1.802) 4.088 5.427 ( 2.665 0.848 2.133) 3.518 5.577 ( 0.036 3.985 1.206) 4.163 5.692 ( 2.683 -3.093 -6.753) 7.897 5.732 ( 0.361 -0.223 -1.801) 1.850 5.885 ( 1.231 2.343 1.639) 3.113 5.914 ( -11.837 -1.333 -0.947) 11.949 6.002 ( -3.750 -4.285 -6.136) 8.372 6.151 ( -3.294 -1.027 2.011) 3.993 6.227 ( -3.054 -3.887 6.366) 8.060 6.322 ( -1.250 -6.457 -8.313) 10.600 6.532 ( 0.323 -0.779 -0.772) 1.143 6.660 ( 2.003 3.884 -4.694) 6.414 6.839 ( 5.961 -0.259 -1.922) 6.269 6.901 ( 2.653 -3.180 -4.706) 6.269 6.922 ( -2.626 -3.791 -0.976) 4.714 7.000 ( 0.635 2.069 2.446) 3.266 7.190 ( 3.679 0.119 2.805) 4.628 7.356 ( 1.603 3.975 3.607) 5.602 7.396 ( 1.562 1.734 -2.354) 3.315 7.495 ( -1.147 5.569 3.400) 6.625 7.560 ( -1.459 -1.669 5.363) 5.803 7.593 ( -2.035 0.158 -4.064) 4.548 7.665 ( -1.656 -4.827 -1.793) 5.409 7.704 ( -0.035 -0.089 -6.510) 6.511 7.850 ( 1.285 -2.065 -1.059) 2.653 7.989 ( -5.952 -4.245 0.985) 7.377 8.175 ( -0.484 3.890 3.729) 5.411 8.258 ( -1.814 2.981 -0.955) 3.618 8.417 ( 0.693 0.417 -0.364) 0.887 8.423 ( 0.819 1.778 -0.911) 2.159 8.575 ( 2.409 -3.851 0.992) 4.650 8.721 ( -1.407 -7.313 -2.317) 7.799 8.852 ( 0.876 -0.806 -3.513) 3.710 8.947 ( 4.891 -1.970 -3.986) 6.610 9.092 ( -3.857 3.021 3.363) 5.943 9.333 ( -3.439 -1.344 1.083) 3.848 9.367 ( -3.273 6.079 0.422) 6.917 9.516 ( -6.006 3.606 1.085) 7.088 9.794 ( 1.634 0.452 0.469) 1.759 9.815 ( 0.388 1.448 1.449) 2.085 9.956 ( 3.788 -1.715 2.019) 4.623 9.994 ( 2.392 -2.718 -0.895) 3.730 13.003 ( 0.904 1.246 1.850) 2.407 13.056 ( 0.224 0.999 -1.621) 1.918 13.175 ( 3.466 -0.824 -1.252) 3.776 13.189 ( 2.386 -0.703 0.746) 2.597 13.860 ( 1.932 0.395 4.968) 5.345 13.928 ( 0.193 2.217 -1.819) 2.874 13.985 ( 3.498 -0.143 1.322) 3.742 13.993 ( 5.013 -2.713 0.295) 5.707 14.126 ( 2.503 0.298 0.002) 2.521 14.150 ( 6.660 0.977 0.616) 6.759 14.250 ( -2.179 -5.662 -0.465) 6.084 14.302 ( -0.550 -4.547 0.188) 4.584 14.391 ( -3.468 -0.676 -0.087) 3.535 14.423 ( -5.209 0.842 0.061) 5.277 14.575 ( -4.302 -1.343 2.372) 5.092 14.626 ( -4.107 0.107 -0.570) 4.148 14.841 ( 1.261 2.264 0.962) 2.764 15.018 ( -5.325 -2.521 1.353) 6.046 15.089 ( 3.565 -3.948 -5.729) 7.818 15.106 ( 1.624 -2.639 -0.615) 3.159 15.267 ( 0.071 2.722 6.684) 7.218 15.368 ( 0.125 5.528 -1.282) 5.676 15.477 ( 1.409 0.493 2.752) 3.130 15.557 ( 0.282 3.689 0.416) 3.724 15.772 ( -6.618 -1.769 -3.309) 7.608 15.911 ( -4.248 -0.235 -3.413) 5.454 15.960 ( 2.278 0.651 1.688) 2.909 16.119 ( -3.409 -1.542 1.104) 3.902 16.286 ( -6.536 11.027 0.282) 12.822 16.419 ( -6.687 12.947 -3.810) 15.061 17.272 ( 8.776 -6.822 4.076) 11.839 17.431 ( 5.788 -9.168 -3.554) 11.410 21.105 ( -0.364 5.739 0.577) 5.779 21.129 ( -0.607 6.326 -1.118) 6.453 21.473 ( -1.952 -1.740 3.058) 4.024 21.529 ( -1.914 -3.437 -0.321) 3.947 21.578 ( 1.722 6.516 -0.016) 6.740 21.610 ( -1.442 7.522 -0.417) 7.670 22.026 ( 6.328 -3.437 2.858) 7.748 22.208 ( 5.202 -4.013 -5.332) 8.462 22.331 ( -0.777 0.494 1.461) 1.727 22.352 ( -1.563 0.258 0.198) 1.596 22.535 ( 1.293 -0.202 -0.600) 1.439 22.580 ( 1.993 -1.092 -4.081) 4.671 22.877 ( -0.218 1.711 5.782) 6.034 23.025 ( -0.877 -1.856 -3.230) 3.827 23.178 ( 8.826 -0.876 4.038) 9.745 23.234 ( 7.962 -1.750 -6.919) 10.692 23.667 ( -15.612 -4.927 0.282) 16.374 23.744 ( -11.466 -5.289 -2.331) 12.840 24.353 ( 0.405 0.050 1.692) 1.741 24.419 ( -0.213 -1.681 -2.155) 2.741 24.487 ( 1.420 0.391 -0.090) 1.476 24.504 ( 0.414 0.369 0.430) 0.701 24.556 ( 4.374 0.896 0.570) 4.501 24.609 ( 2.295 0.831 -1.138) 2.693 24.735 ( -0.315 2.495 2.285) 3.398 24.792 ( -1.312 2.166 -0.842) 2.669 25.002 ( 9.189 -1.194 4.080) 10.124 25.033 ( 6.786 -1.195 1.468) 7.045 25.393 ( -2.664 0.772 0.579) 2.834 25.439 ( -5.352 0.143 -1.408) 5.536 25.478 ( -5.255 -1.159 -0.954) 5.465 25.518 ( -5.510 -0.072 -1.355) 5.675 ======================= Grid point 77 (43/48) ======================= q-point: ( 0.00 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( -0.001 14.554 7.623) 16.429 1.239 ( -2.148 10.589 6.516) 12.617 1.390 ( 2.904 1.021 -6.582) 7.266 1.410 ( 0.275 -2.442 -7.632) 8.018 1.766 ( 3.977 0.063 4.541) 6.037 1.814 ( 1.155 1.327 2.582) 3.125 1.844 ( -4.464 -2.245 1.240) 5.148 1.887 ( 0.944 -8.705 -4.013) 9.632 1.991 ( 1.065 6.055 2.208) 6.532 2.128 ( 0.712 3.822 -1.780) 4.275 2.145 ( 2.116 -4.332 -3.683) 6.067 2.222 ( -2.188 -5.436 -0.755) 5.908 2.267 ( -1.706 -4.031 -1.729) 4.707 2.307 ( -0.599 -7.126 -2.234) 7.492 2.344 ( 1.819 -1.001 -1.835) 2.770 2.393 ( 1.457 -4.233 -5.001) 6.712 2.533 ( 0.289 5.472 1.168) 5.602 2.571 ( -1.831 1.506 -1.875) 3.023 2.840 ( -0.396 11.804 10.324) 15.687 2.886 ( -0.096 3.051 5.058) 5.908 2.925 ( -2.202 -0.145 -0.671) 2.307 2.943 ( -1.152 1.579 2.654) 3.296 3.006 ( 3.059 -1.098 1.200) 3.464 3.033 ( -4.273 -3.542 0.964) 5.633 3.114 ( 1.018 1.622 0.435) 1.964 3.138 ( 0.217 -0.905 -0.548) 1.080 3.317 ( 0.864 2.173 -1.876) 2.998 3.372 ( 1.564 -2.422 -4.312) 5.187 3.616 ( -0.475 4.049 4.030) 5.732 3.724 ( -1.143 0.581 -0.227) 1.302 3.776 ( -0.636 1.765 4.864) 5.213 3.817 ( 0.094 -0.512 2.304) 2.362 3.904 ( 4.154 -4.784 5.714) 8.532 4.022 ( -0.393 1.961 2.054) 2.867 4.060 ( 1.077 -4.619 -4.179) 6.322 4.147 ( -3.396 -11.173 -7.303) 13.774 4.235 ( -0.195 7.441 6.038) 9.585 4.279 ( 2.271 3.483 1.323) 4.363 4.458 ( 0.927 3.236 -0.087) 3.368 4.484 ( -3.029 -0.130 -1.351) 3.319 4.519 ( -1.855 0.811 4.563) 4.991 4.573 ( 0.781 -1.703 1.391) 2.333 4.803 ( -4.009 6.025 6.794) 9.926 4.901 ( 2.943 -0.929 -1.578) 3.466 4.935 ( -2.497 -1.367 -1.065) 3.039 4.960 ( 3.110 -2.378 -2.272) 4.526 5.167 ( -0.053 0.993 2.774) 2.947 5.204 ( 1.045 -2.924 0.712) 3.186 5.297 ( 0.566 1.199 0.219) 1.344 5.307 ( 0.542 1.140 -1.049) 1.641 5.499 ( -3.070 3.995 0.711) 5.088 5.623 ( -5.034 -3.987 -7.186) 9.637 5.697 ( 0.404 1.955 1.919) 2.769 5.714 ( 2.818 1.662 -1.405) 3.560 5.777 ( 0.366 -0.443 0.101) 0.584 5.790 ( 4.454 -3.343 -1.927) 5.893 6.015 ( 1.253 1.365 1.611) 2.455 6.109 ( -0.847 -4.244 -6.125) 7.499 6.169 ( -1.159 2.438 -0.290) 2.715 6.223 ( 1.571 -1.113 -6.020) 6.321 6.481 ( -1.280 -2.045 0.292) 2.431 6.549 ( -0.587 -7.129 -5.170) 8.826 6.858 ( -1.657 3.448 0.443) 3.851 6.899 ( 0.814 -1.750 -2.947) 3.523 7.015 ( -4.030 7.691 3.778) 9.469 7.110 ( 3.846 4.622 -3.809) 7.118 7.254 ( -1.390 -5.785 1.826) 6.223 7.280 ( 4.618 -5.066 0.072) 6.855 7.437 ( -2.947 2.493 2.063) 4.377 7.460 ( 1.335 -0.723 0.779) 1.707 7.526 ( -1.286 -1.613 -3.519) 4.079 7.563 ( -0.052 -5.047 -4.365) 6.673 7.613 ( -1.175 2.634 4.278) 5.159 7.652 ( 1.551 -0.961 0.931) 2.048 7.877 ( 0.062 1.460 -1.242) 1.918 7.897 ( 0.864 -0.876 -2.236) 2.552 8.296 ( 1.010 5.021 1.483) 5.332 8.337 ( 2.369 2.395 -1.611) 3.734 8.413 ( -1.168 0.655 0.371) 1.389 8.431 ( 0.576 -0.174 -0.831) 1.026 8.512 ( -0.395 -3.471 1.206) 3.696 8.555 ( -0.140 -6.052 -3.151) 6.825 8.912 ( -1.736 1.620 2.080) 3.157 8.926 ( -3.727 0.584 0.725) 3.841 9.148 ( 2.183 0.341 0.885) 2.380 9.172 ( -0.056 -1.876 -1.269) 2.266 9.516 ( -0.462 4.253 0.865) 4.365 9.536 ( 1.425 2.441 -0.932) 2.976 9.832 ( -0.789 1.544 0.989) 1.997 9.844 ( 0.461 0.912 0.005) 1.022 9.942 ( -0.145 -1.999 1.252) 2.363 9.954 ( 0.347 -2.991 -0.060) 3.012 13.053 ( -0.095 1.962 1.754) 2.633 13.079 ( 0.054 -0.093 -0.549) 0.560 13.173 ( -0.987 0.203 0.894) 1.347 13.200 ( 0.443 -1.831 -1.501) 2.409 13.903 ( 0.115 1.738 4.646) 4.962 13.947 ( -0.632 -1.897 1.816) 2.701 14.017 ( 0.979 0.903 0.019) 1.332 14.029 ( -0.571 1.018 -0.115) 1.173 14.128 ( -0.523 -1.898 0.139) 1.973 14.137 ( 0.481 -3.132 -0.712) 3.248 14.256 ( 1.175 -0.208 0.154) 1.203 14.257 ( 0.591 -0.432 0.070) 0.736 14.322 ( -0.851 0.271 1.371) 1.636 14.339 ( 0.041 -1.171 0.243) 1.196 14.528 ( 0.362 1.894 1.155) 2.248 14.579 ( 1.403 -2.700 -2.584) 3.992 14.876 ( -0.722 -0.857 1.030) 1.523 14.901 ( -1.339 -2.506 -1.120) 3.054 15.034 ( -1.516 0.819 2.009) 2.647 15.058 ( -0.259 -1.581 0.104) 1.605 15.377 ( 1.440 5.615 3.855) 6.962 15.449 ( 0.655 0.320 -1.514) 1.680 15.533 ( 2.277 2.418 3.712) 4.981 15.607 ( -3.882 -1.391 -2.295) 4.719 15.697 ( 4.482 1.189 1.080) 4.761 15.743 ( -3.572 -2.283 -2.590) 4.968 15.985 ( -0.444 0.083 -0.107) 0.464 16.014 ( 1.246 -2.598 -2.112) 3.573 16.590 ( -0.138 14.160 1.513) 14.241 16.662 ( -0.160 9.362 -5.361) 10.789 17.202 ( 0.882 -6.586 2.880) 7.242 17.259 ( -0.428 -10.371 -2.186) 10.608 21.226 ( -0.402 5.708 0.693) 5.764 21.246 ( 0.746 4.606 -1.175) 4.812 21.389 ( -0.228 -2.575 2.505) 3.599 21.426 ( 0.898 -5.172 -0.801) 5.311 21.752 ( -0.585 9.510 3.481) 10.144 21.826 ( 0.804 7.187 -2.760) 7.740 22.007 ( 0.099 -3.977 1.747) 4.345 22.090 ( -2.443 -7.680 -5.016) 9.492 22.360 ( 0.446 1.146 1.094) 1.646 22.362 ( 0.741 0.909 0.898) 1.477 22.538 ( -0.612 -0.113 -1.431) 1.561 22.557 ( -0.577 -1.883 -3.192) 3.751 22.933 ( 0.989 2.401 3.259) 4.167 22.979 ( 0.372 -2.060 -0.637) 2.188 23.281 ( -7.923 1.070 3.594) 8.766 23.327 ( 0.856 -3.149 2.275) 3.978 23.404 ( 5.721 -0.967 -5.858) 8.245 23.438 ( 0.454 -4.761 -6.907) 8.401 24.356 ( -0.621 0.426 1.301) 1.503 24.374 ( -0.964 -1.250 -0.300) 1.607 24.512 ( 0.024 0.755 0.626) 0.981 24.519 ( 0.500 0.107 -0.010) 0.511 24.606 ( -0.084 0.140 0.499) 0.525 24.612 ( 0.414 -0.331 -0.027) 0.531 24.793 ( -0.423 2.384 2.744) 3.660 24.816 ( -0.173 0.232 0.833) 0.882 25.115 ( 0.960 0.424 1.618) 1.929 25.136 ( 1.243 -1.602 -0.175) 2.035 25.335 ( -0.791 -0.240 -0.270) 0.869 25.340 ( -0.728 -0.699 -0.780) 1.276 25.443 ( 0.659 0.809 0.096) 1.048 25.450 ( -0.091 0.155 -0.540) 0.569 ======================= Grid point 78 (44/48) ======================= q-point: ( 0.17 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( -1.503 13.489 0.323) 13.577 1.271 ( 2.224 3.202 -0.076) 3.899 1.439 ( 1.842 5.812 -2.885) 6.745 1.512 ( 8.357 3.168 -3.613) 9.640 1.670 ( -5.951 -5.022 0.773) 7.825 1.720 ( -6.032 -4.209 -1.562) 7.519 1.901 ( 1.574 0.885 2.635) 3.194 1.987 ( 1.595 -6.372 0.146) 6.570 2.019 ( 1.624 4.543 3.062) 5.714 2.119 ( 3.599 7.994 -5.837) 10.532 2.152 ( -2.228 -6.783 -0.478) 7.155 2.232 ( 3.622 -2.512 -4.998) 6.664 2.260 ( 2.768 -1.258 -2.471) 3.918 2.352 ( -1.125 -0.514 -2.498) 2.788 2.353 ( 2.678 -6.007 3.712) 7.552 2.432 ( -2.361 -5.046 -3.435) 6.545 2.509 ( -1.514 2.043 -0.346) 2.566 2.528 ( 0.459 -0.399 -0.890) 1.078 2.799 ( -1.536 10.509 6.725) 12.571 2.864 ( -1.352 3.041 1.266) 3.560 2.887 ( -1.037 -0.096 0.682) 1.245 2.929 ( -4.409 -2.370 -0.198) 5.010 2.972 ( 2.649 3.916 6.273) 7.855 3.078 ( 3.673 2.586 -0.557) 4.527 3.133 ( 1.886 -2.394 2.050) 3.673 3.142 ( 0.401 -1.627 0.805) 1.859 3.349 ( 1.530 1.716 0.520) 2.357 3.394 ( 0.863 -2.891 -3.482) 4.607 3.547 ( -6.094 2.536 5.665) 8.698 3.626 ( -6.723 -3.429 3.758) 8.431 3.808 ( 1.378 6.548 4.367) 7.990 3.866 ( 3.794 7.867 -4.489) 9.820 3.955 ( -4.196 -1.201 4.712) 6.422 4.010 ( -2.352 -0.529 -1.970) 3.113 4.073 ( 3.593 -3.209 2.478) 5.417 4.109 ( 1.484 -9.834 -2.557) 10.269 4.182 ( -3.721 6.539 5.345) 9.229 4.284 ( -0.250 -1.355 -3.127) 3.417 4.419 ( -3.425 0.275 -2.027) 3.989 4.449 ( -1.329 -1.157 -2.984) 3.465 4.514 ( 1.094 1.494 2.661) 3.242 4.568 ( -0.716 -2.542 2.782) 3.836 4.715 ( -4.098 6.381 8.688) 11.532 4.856 ( -2.560 -5.541 1.501) 6.286 4.999 ( 2.472 1.014 -1.701) 3.167 5.043 ( 0.387 -3.377 1.032) 3.552 5.178 ( -0.854 -0.200 1.977) 2.163 5.183 ( -1.882 -0.880 1.877) 2.800 5.276 ( 0.093 1.443 -2.320) 2.734 5.317 ( 0.084 -1.741 5.585) 5.851 5.420 ( -0.256 3.918 -2.099) 4.452 5.504 ( -5.184 -2.744 -5.172) 7.820 5.687 ( -0.848 2.644 0.925) 2.927 5.753 ( 1.415 -1.554 -1.327) 2.486 5.928 ( 8.675 1.018 -2.616) 9.118 5.966 ( 12.373 -1.025 -3.270) 12.839 6.041 ( -2.418 6.320 -4.885) 8.346 6.084 ( 3.675 -0.685 -0.308) 3.751 6.165 ( 0.469 -2.931 -2.822) 4.096 6.258 ( 1.897 -8.007 -4.016) 9.156 6.465 ( 1.041 2.315 0.114) 2.541 6.558 ( 0.261 -5.173 -2.416) 5.716 6.822 ( -1.790 3.024 -0.111) 3.516 6.847 ( -5.120 1.189 -0.387) 5.271 6.943 ( -3.586 4.817 0.361) 6.017 7.087 ( -3.988 -4.760 -1.771) 6.457 7.275 ( 1.054 3.797 -0.505) 3.973 7.370 ( -0.760 -3.065 5.716) 6.530 7.398 ( 2.180 3.144 -1.099) 3.980 7.506 ( 4.578 -5.906 -1.257) 7.577 7.547 ( 2.433 -1.464 -3.249) 4.315 7.578 ( 2.138 -1.835 -1.451) 3.169 7.605 ( 0.715 3.790 1.230) 4.048 7.684 ( 1.622 -1.650 -0.569) 2.382 7.868 ( -0.225 2.843 -2.150) 3.571 7.936 ( 1.900 -4.017 -1.855) 4.815 8.304 ( 0.254 3.903 -0.549) 3.950 8.342 ( -1.211 1.078 -1.064) 1.939 8.448 ( 1.469 1.455 0.553) 2.140 8.463 ( 2.591 3.336 -2.337) 4.827 8.495 ( 0.455 -4.481 0.504) 4.532 8.558 ( -0.067 -5.284 -1.227) 5.425 8.790 ( -5.871 0.795 2.309) 6.359 8.822 ( -7.751 -1.963 3.280) 8.642 9.188 ( 3.413 3.600 0.917) 5.044 9.263 ( 4.766 -3.694 1.353) 6.180 9.516 ( 1.002 5.863 -0.382) 5.961 9.588 ( 3.195 -0.926 -1.185) 3.531 9.802 ( -1.836 2.494 0.933) 3.235 9.843 ( -0.624 -0.012 0.461) 0.776 9.919 ( -2.156 -1.360 1.185) 2.811 9.940 ( -1.656 -2.480 -0.192) 2.989 13.033 ( -1.616 1.527 1.616) 2.749 13.063 ( -1.587 -0.979 0.069) 1.866 13.137 ( -2.378 1.834 0.702) 3.084 13.183 ( -1.984 -2.286 -0.911) 3.161 13.881 ( -2.302 0.746 4.621) 5.216 13.907 ( -3.344 -1.737 2.469) 4.505 13.984 ( -3.092 3.123 -0.048) 4.395 14.024 ( -0.304 0.787 -1.545) 1.760 14.095 ( -2.245 -1.002 0.628) 2.537 14.149 ( 0.871 -4.885 -0.637) 5.002 14.197 ( -3.612 1.447 -0.662) 3.947 14.235 ( -1.790 -2.552 -0.427) 3.146 14.407 ( 6.150 1.540 -0.402) 6.352 14.432 ( 6.697 -0.656 -0.118) 6.730 14.569 ( 2.803 2.565 0.445) 3.826 14.643 ( 4.125 -4.384 -1.764) 6.272 14.850 ( -0.551 -0.585 2.208) 2.350 14.869 ( -0.920 -1.640 -0.318) 1.907 15.043 ( 1.901 0.326 1.115) 2.228 15.051 ( -0.301 -0.364 2.009) 2.063 15.402 ( 1.059 5.428 1.246) 5.669 15.463 ( 0.500 0.170 -0.882) 1.028 15.548 ( -0.977 2.700 -0.197) 2.878 15.612 ( 2.955 -2.546 3.646) 5.339 15.717 ( 0.965 4.816 -3.337) 5.938 15.833 ( 8.630 -4.494 0.467) 9.741 15.997 ( 2.375 1.994 -1.480) 3.436 16.075 ( 4.404 -4.225 -0.825) 6.159 16.564 ( -2.084 13.383 0.790) 13.568 16.658 ( 0.265 6.391 -4.434) 7.783 17.151 ( -6.112 -6.748 1.530) 9.232 17.195 ( -6.001 -8.965 -1.866) 10.948 21.232 ( 1.061 6.277 0.456) 6.382 21.275 ( 2.108 4.580 -1.453) 5.247 21.408 ( 2.060 -2.492 1.846) 3.723 21.460 ( 2.386 -5.106 -0.781) 5.689 21.718 ( -2.623 9.374 2.792) 10.126 21.827 ( -0.677 6.292 -3.019) 7.012 21.931 ( -7.499 -5.367 2.560) 9.571 22.009 ( -5.283 -5.760 -0.822) 7.859 22.364 ( -0.004 1.241 0.065) 1.242 22.376 ( 0.387 0.105 -0.528) 0.663 22.510 ( -1.870 0.244 -0.624) 1.987 22.538 ( -1.187 -2.029 -1.633) 2.863 22.953 ( 0.855 1.992 2.811) 3.550 22.991 ( 0.678 -1.477 -0.867) 1.842 23.102 ( -6.652 2.928 2.027) 7.545 23.184 ( -7.263 -4.873 -1.809) 8.932 23.644 ( 13.789 -2.474 -3.107) 14.350 23.645 ( 14.065 -2.647 -3.916) 14.838 24.337 ( -1.499 0.177 2.309) 2.759 24.352 ( -1.465 -1.186 0.886) 2.082 24.509 ( -0.418 1.109 -0.235) 1.209 24.523 ( -0.326 -0.251 -0.651) 0.770 24.593 ( -1.456 0.925 0.083) 1.727 24.600 ( -2.283 0.425 0.716) 2.430 24.781 ( -0.496 2.128 2.398) 3.245 24.809 ( -0.482 -0.222 1.618) 1.703 25.015 ( -8.511 -0.545 -0.197) 8.530 25.026 ( -7.744 -1.300 -0.760) 7.889 25.397 ( 4.507 0.196 0.738) 4.571 25.405 ( 4.655 -0.586 1.134) 4.827 25.488 ( 3.966 1.779 -1.290) 4.535 25.523 ( 5.737 -1.685 -1.880) 6.267 ======================= Grid point 79 (45/48) ======================= q-point: ( 0.33 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( 1.726 9.805 -7.159) 12.262 1.290 ( 0.678 -1.884 -8.876) 9.099 1.386 ( -7.883 7.965 -4.049) 11.916 1.515 ( -10.214 -4.133 -5.341) 12.245 1.673 ( 5.996 0.028 2.607) 6.538 1.711 ( 6.470 -2.544 5.813) 9.062 1.883 ( -1.880 2.992 -0.895) 3.645 1.951 ( -3.371 -0.202 1.325) 3.628 2.069 ( 4.003 -0.261 -0.705) 4.073 2.106 ( -1.408 -2.618 2.250) 3.729 2.237 ( 1.850 3.430 1.551) 4.194 2.258 ( -1.160 3.098 1.329) 3.565 2.274 ( -2.337 0.130 -3.503) 4.213 2.315 ( -1.711 0.908 3.263) 3.794 2.398 ( 5.790 -5.179 -8.609) 11.596 2.421 ( 1.030 -4.528 0.785) 4.710 2.488 ( 0.559 2.299 1.241) 2.672 2.561 ( 1.836 -3.231 -0.665) 3.775 2.768 ( -3.796 3.354 -4.308) 6.650 2.795 ( -5.573 0.179 -3.370) 6.515 2.890 ( 2.046 0.372 0.475) 2.133 2.921 ( 3.620 -2.121 1.114) 4.341 3.110 ( 9.988 9.299 6.005) 14.909 3.131 ( 2.460 0.405 0.130) 2.496 3.141 ( 0.040 -0.707 1.933) 2.058 3.207 ( 4.445 1.390 0.477) 4.681 3.387 ( -0.061 3.032 4.539) 5.459 3.420 ( -3.017 -1.490 3.238) 4.670 3.426 ( 0.627 -3.273 1.955) 3.863 3.488 ( -4.962 -3.947 1.445) 6.503 3.730 ( -8.186 4.412 2.064) 9.526 3.791 ( -10.783 -1.504 1.704) 11.020 3.972 ( 5.652 9.363 -3.801) 11.578 3.995 ( -0.846 5.398 3.838) 6.677 4.050 ( -0.630 10.418 4.063) 11.200 4.171 ( 1.928 -1.512 2.464) 3.475 4.194 ( 1.768 -4.781 1.149) 5.225 4.323 ( 2.937 -7.778 -2.310) 8.629 4.369 ( -1.875 -2.308 -1.501) 3.331 4.422 ( -1.166 -6.549 -3.814) 7.668 4.522 ( 1.779 2.759 6.611) 7.381 4.579 ( 2.029 -2.550 0.672) 3.328 4.674 ( -0.499 5.186 5.590) 7.642 4.806 ( -3.384 -5.445 1.399) 6.561 4.978 ( -4.375 -0.847 1.469) 4.692 4.994 ( -1.525 -1.957 -2.293) 3.378 5.067 ( -6.483 -1.157 2.569) 7.069 5.109 ( -6.482 -4.134 0.855) 7.735 5.305 ( 0.243 1.983 0.790) 2.148 5.351 ( -0.071 -2.217 -0.433) 2.260 5.469 ( 5.791 2.970 2.259) 6.889 5.520 ( 5.897 -1.957 0.323) 6.221 5.679 ( 0.097 3.778 -1.135) 3.947 5.755 ( -1.092 -2.263 -2.409) 3.481 5.947 ( -3.133 6.156 -5.386) 8.759 6.021 ( -2.142 -1.434 -6.221) 6.734 6.180 ( 8.831 0.161 -1.694) 8.994 6.210 ( 7.485 -0.034 -2.162) 7.791 6.225 ( 5.817 -2.617 -1.112) 6.475 6.297 ( 2.956 -5.098 -2.006) 6.226 6.512 ( 1.497 0.451 -0.155) 1.571 6.543 ( -1.369 -1.942 -0.035) 2.376 6.757 ( -2.805 1.392 -2.488) 3.999 6.792 ( -2.177 -1.923 0.039) 2.905 6.884 ( -0.927 6.890 -1.317) 7.076 7.008 ( -4.685 -4.025 -3.315) 7.009 7.266 ( 0.088 3.780 3.288) 5.011 7.343 ( -1.652 -2.222 5.925) 6.540 7.447 ( 2.444 6.379 -2.357) 7.227 7.539 ( -2.088 2.455 3.775) 4.964 7.591 ( 0.077 -3.775 -2.997) 4.821 7.607 ( 1.950 -1.511 -2.972) 3.863 7.663 ( 4.281 1.784 -2.367) 5.207 7.740 ( 3.900 -3.284 -3.994) 6.476 7.878 ( 1.658 1.036 -2.386) 3.084 7.948 ( -0.887 -5.411 -0.878) 5.553 8.314 ( 0.506 2.802 2.006) 3.483 8.325 ( 0.076 1.114 -1.157) 1.608 8.430 ( -2.432 2.767 -0.334) 3.699 8.459 ( -1.351 -0.175 0.433) 1.429 8.529 ( -1.303 -2.214 2.911) 3.883 8.556 ( 0.402 -3.630 -1.728) 4.040 8.696 ( -2.853 -0.234 0.578) 2.920 8.743 ( -0.156 -3.709 -1.379) 3.960 9.256 ( 3.662 3.664 3.472) 6.236 9.329 ( 2.172 -3.201 3.042) 4.922 9.547 ( 1.954 4.223 -0.640) 4.696 9.619 ( -0.714 -2.805 0.104) 2.896 9.789 ( 0.966 2.447 0.298) 2.647 9.830 ( -0.443 -0.351 0.706) 0.905 9.869 ( -2.768 0.232 1.278) 3.058 9.900 ( -2.358 -1.840 -0.669) 3.064 13.008 ( -0.704 0.724 1.251) 1.608 13.029 ( -1.719 -1.264 0.949) 2.335 13.098 ( -1.367 2.086 -0.100) 2.496 13.136 ( -2.571 -1.607 -0.655) 3.102 13.835 ( -2.100 0.046 4.035) 4.549 13.844 ( -2.659 -0.862 2.531) 3.771 13.929 ( -2.354 3.332 0.085) 4.080 13.993 ( -2.748 -2.237 -2.421) 4.291 14.074 ( 0.099 3.288 1.320) 3.544 14.147 ( -1.452 2.327 -2.190) 3.510 14.170 ( 1.015 -5.425 -0.126) 5.521 14.209 ( -0.969 -3.795 -0.503) 3.949 14.507 ( 4.147 2.354 -1.711) 5.067 14.534 ( 3.005 0.752 -0.667) 3.169 14.609 ( 1.694 1.292 0.558) 2.202 14.680 ( -0.555 -4.804 0.079) 4.837 14.885 ( 3.504 0.680 1.275) 3.790 14.906 ( 4.249 -1.526 -0.527) 4.545 15.050 ( 0.123 0.998 2.216) 2.433 15.079 ( 1.420 -2.406 0.301) 2.810 15.428 ( 1.954 3.625 0.164) 4.122 15.465 ( -0.159 0.607 1.679) 1.792 15.532 ( -0.973 4.541 0.372) 4.658 15.607 ( -2.928 -2.167 -0.190) 3.648 15.802 ( 7.267 9.251 0.196) 11.765 15.969 ( 4.609 -4.789 -0.751) 6.688 16.062 ( 3.257 3.886 -1.266) 5.227 16.136 ( 0.443 -1.604 0.408) 1.713 16.558 ( 3.185 8.840 0.468) 9.407 16.703 ( 5.149 -2.865 -3.221) 6.716 16.989 ( -10.194 -4.391 -1.407) 11.188 17.043 ( -9.598 -7.364 -0.664) 12.116 21.262 ( 1.802 7.668 0.714) 7.909 21.315 ( 1.716 6.213 -1.830) 6.701 21.459 ( 2.936 -4.182 1.064) 5.219 21.500 ( 1.313 -4.186 0.382) 4.404 21.674 ( -1.491 6.685 1.909) 7.110 21.767 ( -6.486 1.990 1.092) 6.872 21.827 ( -0.506 -2.669 -1.367) 3.041 21.897 ( -6.110 -4.608 1.429) 7.786 22.359 ( -0.372 0.701 -0.440) 0.907 22.373 ( -0.530 -0.619 -1.295) 1.530 22.486 ( -0.485 0.988 0.257) 1.130 22.518 ( -0.706 -1.769 -1.317) 2.316 22.956 ( -0.594 2.368 4.288) 4.934 22.995 ( -0.272 -0.902 1.510) 1.780 23.045 ( -0.233 1.171 -2.322) 2.611 23.092 ( -2.569 -3.400 -2.892) 5.150 23.899 ( 13.048 -1.426 -2.565) 13.374 23.910 ( 13.349 -2.470 -2.468) 13.798 24.287 ( -4.493 -0.062 2.041) 4.935 24.303 ( -4.578 -1.569 0.763) 4.899 24.492 ( -1.599 1.270 -0.299) 2.064 24.502 ( -1.717 0.173 -0.934) 1.963 24.524 ( -3.941 2.554 1.174) 4.841 24.551 ( -2.679 -0.077 -0.671) 2.762 24.784 ( 0.757 0.206 1.268) 1.491 24.799 ( -0.697 -0.858 2.541) 2.771 24.885 ( -4.049 0.626 0.183) 4.102 24.914 ( -3.855 -1.797 -0.900) 4.347 25.473 ( 3.000 0.417 2.071) 3.669 25.482 ( 3.420 -0.528 2.359) 4.188 25.563 ( 3.276 2.187 -2.668) 4.758 25.610 ( 2.795 -2.379 -3.479) 5.057 ======================= Grid point 80 (46/48) ======================= q-point: (-0.50 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( -5.765 5.939 -6.539) 10.548 1.271 ( 5.041 5.070 -10.133) 12.402 1.319 ( -6.630 -2.904 -5.628) 9.169 1.345 ( 5.617 -2.098 -8.428) 10.343 1.764 ( 1.770 2.491 4.171) 5.171 1.799 ( -2.634 2.304 -0.328) 3.515 1.844 ( 0.588 0.216 7.935) 7.959 1.905 ( -2.153 -1.348 2.070) 3.276 2.083 ( 2.612 1.607 3.188) 4.424 2.132 ( -2.537 -3.277 0.811) 4.223 2.190 ( -0.243 -0.032 -1.354) 1.377 2.210 ( 2.835 -2.204 -2.863) 4.593 2.318 ( -0.048 4.952 1.956) 5.324 2.340 ( 2.249 3.396 1.491) 4.338 2.394 ( -2.264 0.212 1.478) 2.712 2.427 ( -1.506 -2.420 0.400) 2.878 2.550 ( -1.574 0.802 -0.156) 1.773 2.600 ( 2.379 -3.166 -2.175) 4.518 2.699 ( 1.144 0.236 -7.932) 8.017 2.713 ( -1.560 -0.626 -7.387) 7.576 2.945 ( 2.548 -1.097 1.835) 3.326 2.961 ( -1.172 -2.900 0.572) 3.180 3.136 ( -0.543 0.923 1.451) 1.804 3.156 ( 0.960 -0.614 -0.079) 1.142 3.254 ( -3.686 4.148 2.945) 6.283 3.275 ( 0.129 4.460 0.999) 4.573 3.304 ( -2.638 0.456 3.095) 4.092 3.331 ( 4.608 -0.082 1.749) 4.929 3.515 ( -1.587 2.509 5.177) 5.968 3.534 ( -1.364 0.743 4.185) 4.464 3.615 ( -2.018 -0.480 -0.856) 2.243 3.617 ( 5.702 -0.416 -1.749) 5.979 3.968 ( 0.194 7.794 5.872) 9.760 4.036 ( 0.095 6.227 4.185) 7.503 4.082 ( 2.385 6.443 1.521) 7.037 4.173 ( -2.199 6.789 -2.810) 7.669 4.212 ( -0.131 -5.657 6.626) 8.713 4.330 ( -0.318 -2.829 -3.014) 4.146 4.345 ( -1.195 -8.284 2.638) 8.776 4.404 ( -0.243 -3.264 -0.953) 3.409 4.590 ( -0.196 -1.803 3.301) 3.767 4.606 ( -0.626 -2.082 2.382) 3.225 4.699 ( 3.449 -0.016 1.540) 3.778 4.744 ( 0.970 -3.742 -1.952) 4.330 4.929 ( -1.051 1.538 2.515) 3.130 4.960 ( -2.055 -1.400 0.562) 2.549 5.012 ( 0.854 -4.192 0.026) 4.278 5.026 ( 0.395 -4.447 -0.910) 4.556 5.303 ( -0.369 1.444 1.592) 2.181 5.336 ( 0.288 -1.315 -1.766) 2.221 5.575 ( -0.872 1.494 1.703) 2.427 5.584 ( 3.798 1.071 3.173) 5.063 5.687 ( -0.975 1.377 -1.064) 1.995 5.733 ( 0.322 -1.558 -4.530) 4.802 5.914 ( 0.160 3.786 -3.640) 5.254 5.962 ( -2.623 -0.558 -6.691) 7.209 6.225 ( -2.460 0.690 3.017) 3.953 6.268 ( -1.125 -3.157 0.184) 3.356 6.336 ( -1.744 -1.135 -2.210) 3.035 6.358 ( 2.013 -2.598 -4.779) 5.800 6.519 ( 1.516 -0.005 -1.217) 1.944 6.527 ( 3.297 -0.788 -2.338) 4.117 6.751 ( 1.856 0.515 -0.850) 2.106 6.773 ( -0.418 -1.419 -2.801) 3.168 6.897 ( -1.227 1.825 -1.017) 2.423 6.920 ( -0.923 -0.124 -3.306) 3.435 7.305 ( 3.243 2.867 3.127) 5.340 7.325 ( -0.091 1.117 3.460) 3.637 7.441 ( -2.964 5.841 4.438) 7.912 7.530 ( -0.956 -1.028 0.903) 1.670 7.546 ( -0.078 4.214 -2.101) 4.709 7.646 ( 1.376 -1.751 -6.625) 6.989 7.716 ( 0.349 1.171 -0.840) 1.483 7.767 ( -1.411 -2.561 -3.675) 4.696 7.902 ( -3.038 -2.713 0.179) 4.077 7.933 ( 2.781 -4.954 -2.903) 6.379 8.313 ( -1.781 4.669 3.903) 6.341 8.345 ( 2.309 0.621 0.722) 2.497 8.404 ( 0.455 0.040 -0.583) 0.740 8.418 ( -2.606 -0.647 -1.573) 3.112 8.488 ( -1.818 -0.105 5.167) 5.478 8.552 ( 1.047 -5.094 1.704) 5.473 8.715 ( 1.923 -0.921 -3.219) 3.861 8.747 ( 0.705 -3.516 -4.432) 5.701 9.321 ( 2.369 1.949 3.519) 4.668 9.344 ( -0.452 -0.060 1.573) 1.638 9.569 ( -2.362 0.235 2.123) 3.185 9.586 ( 0.499 -1.228 0.763) 1.529 9.806 ( -0.822 2.468 1.882) 3.211 9.834 ( 0.823 -0.030 1.158) 1.422 9.841 ( 0.735 0.347 -0.827) 1.159 9.861 ( -0.887 -1.764 -1.064) 2.243 13.005 ( -0.552 0.098 1.212) 1.335 13.012 ( 0.830 -0.634 0.716) 1.266 13.093 ( 0.866 0.590 -0.267) 1.082 13.101 ( -0.752 -0.180 -0.817) 1.125 13.811 ( -0.306 0.535 3.437) 3.492 13.822 ( 0.353 -0.661 2.709) 2.811 13.909 ( 0.512 2.259 0.638) 2.403 13.954 ( -0.703 -1.809 -2.840) 3.440 14.078 ( 0.072 4.349 1.753) 4.690 14.131 ( -0.406 2.090 -2.617) 3.374 14.182 ( -0.001 -5.218 0.432) 5.236 14.196 ( -0.266 -4.552 -0.722) 4.617 14.533 ( -2.022 2.626 0.878) 3.429 14.556 ( 0.388 1.492 -1.038) 1.858 14.646 ( 0.173 -1.427 -0.288) 1.466 14.663 ( 1.054 -2.508 -1.429) 3.073 14.939 ( 1.007 0.470 0.749) 1.340 14.960 ( 0.369 -1.441 -0.995) 1.789 15.056 ( 0.507 0.578 1.774) 1.933 15.091 ( 0.012 -2.651 -1.048) 2.850 15.436 ( -2.896 2.898 5.062) 6.513 15.465 ( 0.077 0.177 2.447) 2.454 15.522 ( 0.400 4.921 -0.120) 4.938 15.570 ( 1.145 0.510 -3.555) 3.769 15.943 ( 5.784 7.403 0.823) 9.431 15.972 ( -4.122 4.529 -1.395) 6.281 16.082 ( -4.249 2.000 1.361) 4.889 16.115 ( 2.187 -0.907 -1.293) 2.697 16.697 ( 8.200 -0.606 1.953) 8.451 16.745 ( -6.449 -4.817 -1.866) 8.263 16.855 ( -8.768 -2.312 -1.029) 9.125 16.893 ( 7.114 -5.847 -3.547) 9.868 21.284 ( 0.001 8.690 1.716) 8.858 21.325 ( -0.630 7.721 -2.085) 8.023 21.493 ( -0.866 -5.292 1.717) 5.630 21.506 ( 0.171 -4.455 0.385) 4.475 21.655 ( -0.719 4.134 3.422) 5.415 21.713 ( 2.023 -0.407 -0.500) 2.124 21.801 ( -3.305 -0.024 1.305) 3.553 21.860 ( 3.987 -4.231 -2.855) 6.477 22.353 ( -0.293 0.317 -0.062) 0.436 22.362 ( -0.457 -0.689 -1.062) 1.346 22.491 ( 0.871 0.838 -0.078) 1.211 22.514 ( 0.249 -1.192 -2.105) 2.432 22.944 ( -0.569 2.390 4.552) 5.172 22.986 ( -0.508 -1.344 2.735) 3.089 23.056 ( 1.068 -0.037 -3.699) 3.850 23.071 ( 0.087 -1.504 -3.268) 3.599 24.087 ( -1.083 -0.603 -0.244) 1.263 24.093 ( -3.332 -1.131 -0.931) 3.640 24.194 ( 3.565 -1.171 -1.239) 3.951 24.199 ( 2.019 -1.775 -1.669) 3.164 24.461 ( -0.756 1.631 1.859) 2.586 24.477 ( -0.581 -0.030 0.955) 1.118 24.498 ( 0.555 1.670 -0.884) 1.970 24.519 ( -0.261 -0.312 -1.463) 1.519 24.785 ( -0.571 0.217 2.234) 2.316 24.804 ( 1.256 -1.428 0.760) 2.048 24.853 ( -0.015 0.531 1.175) 1.289 24.868 ( -1.340 -0.840 0.141) 1.587 25.503 ( 0.076 1.217 2.808) 3.061 25.527 ( 0.907 -1.135 2.336) 2.751 25.598 ( 0.255 1.104 -3.197) 3.392 25.623 ( -1.181 -1.347 -3.712) 4.122 ======================= Grid point 81 (47/48) ======================= q-point: (-0.33 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( -1.171 8.694 -4.567) 9.890 1.248 ( 1.998 2.929 -6.728) 7.605 1.425 ( 6.172 0.229 -6.264) 8.797 1.478 ( 6.339 0.045 -2.683) 6.884 1.649 ( -7.914 3.034 4.388) 9.544 1.765 ( -6.410 -4.321 3.482) 8.478 1.847 ( 4.539 -0.496 1.068) 4.689 1.895 ( 1.142 -2.777 3.185) 4.377 2.073 ( -2.755 1.599 0.294) 3.199 2.134 ( -2.024 -3.512 1.109) 4.202 2.227 ( 1.862 3.860 2.184) 4.810 2.270 ( 2.518 1.721 -1.192) 3.275 2.304 ( -2.966 -1.770 -0.548) 3.497 2.335 ( -4.461 0.208 -4.564) 6.386 2.355 ( 2.362 2.660 -2.239) 4.203 2.420 ( 3.314 -0.426 1.853) 3.821 2.484 ( -2.067 0.715 0.497) 2.243 2.566 ( -4.125 -5.592 -1.578) 7.126 2.765 ( 4.517 1.948 -3.452) 6.009 2.792 ( 5.129 0.217 -3.218) 6.059 2.913 ( -1.575 1.900 -1.553) 2.916 2.957 ( -0.968 -2.842 -1.487) 3.350 3.058 ( -7.160 7.095 6.127) 11.795 3.146 ( -1.706 -0.175 0.581) 1.810 3.170 ( -3.903 1.551 2.071) 4.683 3.183 ( -3.671 0.400 0.314) 3.706 3.379 ( -1.860 0.133 3.704) 4.147 3.405 ( -2.431 -1.634 5.064) 5.850 3.426 ( 5.929 1.143 3.482) 6.971 3.506 ( 6.205 -4.916 0.332) 7.923 3.727 ( 3.836 3.106 3.536) 6.072 3.777 ( 7.895 -0.702 -0.035) 7.926 3.991 ( 0.660 5.878 -2.822) 6.553 4.043 ( -3.926 11.005 -1.269) 11.754 4.074 ( 2.461 3.713 3.950) 5.954 4.134 ( -1.522 2.059 3.483) 4.323 4.192 ( 0.318 3.036 1.763) 3.525 4.292 ( -2.798 -4.677 1.232) 5.588 4.354 ( -1.065 -5.366 2.084) 5.854 4.417 ( 3.035 -7.194 -4.189) 8.861 4.530 ( -1.310 -0.708 3.607) 3.902 4.575 ( -1.891 -5.910 -1.257) 6.331 4.778 ( 3.622 1.998 0.196) 4.141 4.809 ( 2.011 -1.153 0.094) 2.320 4.937 ( 2.297 1.181 3.171) 4.090 4.973 ( 3.293 -3.209 2.512) 5.239 5.074 ( 5.062 -0.626 2.332) 5.608 5.095 ( 4.871 -1.848 1.678) 5.473 5.300 ( -0.024 2.106 2.208) 3.051 5.360 ( 0.832 -2.908 -2.884) 4.179 5.528 ( -3.049 1.180 -4.423) 5.500 5.543 ( -6.318 -0.667 -3.048) 7.047 5.671 ( -0.051 3.671 1.225) 3.870 5.745 ( 0.233 -3.584 0.792) 3.678 5.933 ( 0.389 2.379 -0.002) 2.410 5.958 ( 2.272 2.081 -5.785) 6.554 6.118 ( -8.309 1.841 2.429) 8.850 6.200 ( -4.955 -3.835 1.191) 6.377 6.239 ( -6.998 -1.257 -3.269) 7.826 6.300 ( -3.821 -4.883 -5.105) 8.031 6.547 ( -2.261 1.190 -1.974) 3.228 6.599 ( 1.869 -2.621 -4.262) 5.341 6.774 ( 3.791 2.830 -3.129) 5.672 6.834 ( 4.173 -2.836 -3.520) 6.152 6.887 ( 2.541 3.606 -2.100) 4.885 6.946 ( 2.434 -2.452 1.687) 3.845 7.298 ( -3.496 6.531 2.466) 7.808 7.363 ( 2.502 1.852 3.113) 4.402 7.421 ( 0.355 2.483 4.144) 4.844 7.495 ( 0.077 -4.732 -4.553) 6.567 7.581 ( 1.305 4.397 1.639) 4.870 7.654 ( -1.984 0.414 -5.854) 6.195 7.658 ( -4.904 -2.308 3.295) 6.343 7.704 ( -4.050 -3.792 -3.468) 6.543 7.859 ( -0.868 2.747 -0.933) 3.028 7.960 ( -0.332 -6.033 -2.260) 6.451 8.277 ( -1.199 4.572 3.685) 5.993 8.337 ( -2.945 -0.258 0.134) 2.959 8.407 ( 3.060 1.723 1.776) 3.935 8.460 ( 2.145 -2.887 1.345) 3.840 8.475 ( -0.222 3.545 0.999) 3.690 8.570 ( 0.477 -6.726 0.305) 6.750 8.759 ( 4.050 -1.470 -3.479) 5.538 8.780 ( 2.885 -3.104 -4.573) 6.234 9.287 ( -4.373 3.549 1.010) 5.722 9.347 ( -1.467 -2.042 1.624) 2.993 9.517 ( -1.908 3.868 2.048) 4.775 9.590 ( -0.934 -2.880 2.203) 3.745 9.795 ( 0.260 2.604 -0.160) 2.622 9.834 ( 0.079 -0.274 0.345) 0.447 9.871 ( 2.410 0.159 1.819) 3.024 9.891 ( 2.344 -2.075 -0.504) 3.170 13.009 ( 0.978 1.144 1.083) 1.854 13.035 ( 1.366 -1.334 0.416) 1.954 13.115 ( 2.161 0.729 -1.297) 2.624 13.127 ( 2.404 -0.478 0.085) 2.453 13.827 ( 1.948 0.989 3.778) 4.364 13.855 ( 2.881 -1.603 2.862) 4.366 13.947 ( 3.083 1.676 0.775) 3.594 13.967 ( 1.499 0.306 -2.735) 3.134 14.088 ( 1.560 2.968 1.711) 3.764 14.122 ( -0.519 0.767 -1.761) 1.989 14.173 ( -0.554 -3.607 -0.340) 3.665 14.197 ( 0.348 -4.979 0.313) 5.001 14.477 ( -3.729 1.952 1.074) 4.344 14.517 ( -3.897 -1.275 0.778) 4.173 14.636 ( -1.340 1.797 -1.716) 2.824 14.677 ( -1.112 -1.554 -0.127) 1.915 14.899 ( -3.941 0.206 -0.034) 3.947 14.941 ( -1.403 -3.705 -3.092) 5.026 15.065 ( 0.170 0.573 0.464) 0.756 15.086 ( -0.544 -1.278 0.096) 1.393 15.377 ( -2.432 4.529 4.563) 6.874 15.447 ( -0.903 -1.902 2.568) 3.320 15.537 ( 0.369 7.460 0.717) 7.504 15.628 ( 3.159 0.149 -2.539) 4.056 15.847 ( -7.222 4.044 -2.990) 8.801 15.947 ( -4.888 -3.558 1.018) 6.131 16.037 ( -1.695 5.465 0.849) 5.785 16.129 ( -1.614 -2.735 0.928) 3.309 16.590 ( -4.706 6.754 -2.040) 8.481 16.696 ( -4.255 0.681 -3.030) 5.268 16.939 ( 11.068 -1.742 2.086) 11.397 17.067 ( 9.125 -10.748 -1.767) 14.209 21.263 ( -1.622 7.623 1.029) 7.861 21.297 ( -2.156 6.569 -0.682) 6.947 21.456 ( -2.276 -4.350 1.056) 5.022 21.481 ( -2.795 -5.415 2.150) 6.462 21.674 ( 2.622 6.319 1.891) 7.097 21.779 ( 0.789 3.227 1.135) 3.510 21.810 ( 6.848 -0.044 -1.512) 7.013 21.964 ( 6.376 -7.498 -3.688) 10.511 22.349 ( -0.123 0.414 0.533) 0.686 22.358 ( -0.064 -0.516 -0.023) 0.521 22.513 ( 1.297 0.417 -1.234) 1.838 22.527 ( 1.191 -0.893 -2.989) 3.339 22.932 ( -0.756 2.428 4.269) 4.969 22.981 ( -0.175 -2.272 2.857) 3.655 23.083 ( 2.221 0.162 -2.753) 3.541 23.098 ( 3.008 -1.151 -4.123) 5.231 23.880 ( -13.675 -1.242 -1.128) 13.778 23.894 ( -12.871 -2.483 -0.934) 13.142 24.326 ( 4.398 -0.053 -1.180) 4.554 24.339 ( 5.770 -1.366 -2.607) 6.478 24.467 ( 1.596 1.436 1.444) 2.588 24.484 ( 1.295 -0.281 1.009) 1.666 24.530 ( 2.392 1.526 0.896) 2.975 24.551 ( 3.527 -0.253 -0.625) 3.591 24.782 ( 0.259 2.102 1.461) 2.573 24.824 ( 0.178 -1.323 0.888) 1.603 24.869 ( 2.576 0.030 1.946) 3.228 24.884 ( 3.719 -1.440 0.743) 4.057 25.477 ( -2.723 1.645 1.895) 3.703 25.510 ( -2.721 -1.594 1.217) 3.380 25.562 ( -3.857 0.702 -2.443) 4.619 25.581 ( -2.957 -0.999 -2.605) 4.066 ======================= Grid point 82 (48/48) ======================= q-point: (-0.17 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( 2.722 11.508 3.430) 12.313 1.313 ( 1.823 3.177 -4.967) 6.171 1.405 ( -7.517 7.232 3.911) 11.140 1.469 ( -4.299 5.378 -5.982) 9.121 1.646 ( 5.716 -4.808 3.099) 8.086 1.706 ( 2.932 -8.801 -0.678) 9.301 1.927 ( 0.101 1.484 4.643) 4.875 1.936 ( 1.990 -1.981 0.041) 2.808 2.024 ( -2.715 2.700 5.299) 6.538 2.076 ( -2.336 -4.758 -0.273) 5.307 2.150 ( -3.467 3.855 -7.094) 8.786 2.242 ( -0.452 -5.780 -6.040) 8.372 2.289 ( 0.240 -1.886 0.494) 1.965 2.324 ( -2.045 -5.475 2.858) 6.506 2.373 ( -2.113 1.739 -2.995) 4.057 2.438 ( -3.327 1.066 -2.779) 4.464 2.504 ( 1.397 0.844 0.559) 1.725 2.539 ( 4.583 -2.449 -3.366) 6.191 2.805 ( 1.415 12.010 8.937) 15.037 2.875 ( 2.578 3.582 -0.163) 4.417 2.922 ( 0.931 0.594 -1.046) 1.521 2.949 ( 1.655 -1.746 -1.214) 2.694 2.982 ( -1.196 1.079 2.472) 2.951 3.096 ( -2.367 3.743 -2.118) 4.909 3.125 ( -2.049 -5.774 2.196) 6.508 3.129 ( -0.886 1.576 1.367) 2.267 3.346 ( -2.831 -0.912 1.043) 3.152 3.350 ( -0.054 -1.696 -0.571) 1.790 3.564 ( 5.629 2.252 5.857) 8.429 3.650 ( 6.793 -3.825 0.842) 7.841 3.768 ( 1.059 2.987 5.112) 6.014 3.868 ( 1.966 -4.625 4.766) 6.926 3.908 ( -6.013 6.919 -0.234) 9.170 4.027 ( -0.269 1.566 -4.581) 4.848 4.043 ( -1.586 -3.333 2.404) 4.405 4.172 ( 1.767 -1.660 -1.288) 2.745 4.215 ( 0.927 6.608 2.394) 7.089 4.256 ( -0.996 -0.163 1.242) 1.600 4.381 ( 5.815 1.568 -2.805) 6.644 4.495 ( 3.325 -4.418 -4.107) 6.888 4.537 ( -0.038 -1.486 2.197) 2.652 4.550 ( 0.082 -2.152 2.093) 3.003 4.815 ( 0.766 3.902 5.096) 6.464 4.844 ( 2.511 0.145 -1.926) 3.168 4.958 ( -1.417 1.358 1.251) 2.327 5.026 ( -0.576 -4.953 2.776) 5.707 5.153 ( 2.307 0.179 3.274) 4.010 5.177 ( 2.458 -1.580 3.579) 4.620 5.267 ( -1.322 4.441 -2.192) 5.126 5.327 ( -3.115 -1.193 0.903) 3.455 5.461 ( 2.383 3.114 -2.406) 4.600 5.567 ( 4.784 -6.231 -12.071) 14.402 5.678 ( 1.247 3.767 2.541) 4.712 5.744 ( -0.507 -1.344 0.555) 1.540 5.863 ( -8.526 0.986 4.101) 9.512 5.911 ( -10.763 -1.314 0.282) 10.847 6.008 ( 0.572 3.067 -2.548) 4.028 6.119 ( -1.922 -6.729 -0.378) 7.009 6.166 ( -0.117 3.465 -4.356) 5.567 6.241 ( -2.500 -2.372 -5.258) 6.287 6.495 ( -1.559 0.171 -2.475) 2.931 6.591 ( -2.127 -7.555 -4.022) 8.819 6.857 ( 3.012 -0.689 -3.072) 4.357 6.867 ( 0.713 -1.429 -1.419) 2.136 6.963 ( 5.841 8.735 -1.249) 10.582 7.053 ( 5.830 1.055 0.198) 5.928 7.221 ( -3.141 3.848 3.704) 6.196 7.363 ( -4.137 -7.370 5.042) 9.841 7.428 ( 1.395 3.168 -2.784) 4.442 7.500 ( -2.562 -2.109 0.882) 3.433 7.556 ( -0.667 -1.783 -5.878) 6.178 7.581 ( -3.678 -1.722 0.904) 4.160 7.613 ( 0.353 2.553 0.132) 2.581 7.662 ( -1.590 -2.356 0.678) 2.922 7.859 ( 0.664 3.188 -1.270) 3.495 7.927 ( -2.479 -2.988 -1.444) 4.143 8.273 ( 0.704 4.502 3.400) 5.685 8.309 ( 0.059 1.532 0.468) 1.603 8.436 ( -0.191 1.565 0.654) 1.707 8.450 ( -1.717 0.671 -0.011) 1.843 8.499 ( 1.392 -2.235 -0.184) 2.640 8.566 ( -0.701 -7.206 -1.719) 7.441 8.846 ( 5.050 0.801 -2.566) 5.721 8.887 ( 7.046 -3.024 -2.463) 8.053 9.182 ( -5.890 4.795 1.506) 7.743 9.269 ( -6.137 -3.801 1.046) 7.294 9.505 ( 0.350 5.247 0.673) 5.301 9.557 ( -2.126 0.007 1.306) 2.495 9.816 ( 1.594 1.819 -0.141) 2.423 9.841 ( 0.336 0.455 0.539) 0.781 9.920 ( 2.332 -1.416 1.527) 3.126 9.932 ( 1.762 -2.602 0.122) 3.144 13.036 ( 1.538 1.791 1.342) 2.715 13.063 ( 1.442 -0.569 -0.090) 1.553 13.162 ( 2.135 -0.101 -0.711) 2.253 13.172 ( 2.062 -0.839 -0.503) 2.282 13.875 ( 2.519 1.367 4.608) 5.427 13.921 ( 3.335 -3.135 2.685) 5.307 13.989 ( 1.134 3.065 -1.235) 3.494 14.006 ( 2.563 1.384 -0.025) 2.913 14.118 ( 0.419 -1.275 -0.780) 1.552 14.133 ( 1.102 -3.265 0.278) 3.457 14.184 ( 3.255 0.554 0.104) 3.304 14.217 ( 1.913 -3.049 0.908) 3.713 14.397 ( -4.567 1.132 0.793) 4.772 14.424 ( -5.794 -1.072 0.903) 5.961 14.574 ( -4.277 1.519 0.422) 4.558 14.612 ( -4.377 -1.531 -0.522) 4.666 14.862 ( 0.573 1.091 -0.843) 1.493 14.923 ( -0.767 -4.931 -2.178) 5.445 15.057 ( -0.555 0.309 -0.387) 0.744 15.074 ( -1.100 -1.084 0.405) 1.597 15.358 ( 0.249 5.074 4.336) 6.679 15.441 ( 0.165 -2.422 2.003) 3.147 15.527 ( -1.062 7.786 0.843) 7.903 15.657 ( 0.282 0.208 -0.124) 0.371 15.715 ( -6.435 1.292 -2.987) 7.211 15.844 ( -6.026 -6.387 -0.164) 8.782 15.987 ( -1.397 2.995 -0.947) 3.438 16.058 ( -4.506 -3.740 0.588) 5.885 16.571 ( 1.345 13.581 -0.086) 13.648 16.662 ( -0.095 7.422 -4.704) 8.788 17.121 ( 7.363 -5.020 2.700) 9.311 17.210 ( 5.433 -11.196 -1.557) 12.541 21.238 ( -0.861 6.363 0.371) 6.432 21.256 ( -1.744 5.161 -0.296) 5.456 21.415 ( -2.136 -3.379 2.038) 4.487 21.431 ( -1.557 -5.231 0.800) 5.516 21.731 ( 2.554 8.191 2.394) 8.907 21.803 ( 1.418 7.320 -1.181) 7.549 21.942 ( 6.052 -2.364 0.059) 6.497 22.073 ( 4.183 -8.982 -5.348) 11.260 22.349 ( 0.229 0.942 1.172) 1.521 22.358 ( 0.030 0.121 1.228) 1.234 22.534 ( 0.851 0.292 -2.160) 2.340 22.552 ( 1.109 -1.440 -3.374) 3.833 22.923 ( -0.090 2.671 4.072) 4.870 22.978 ( -0.136 -2.677 1.104) 2.898 23.166 ( 7.114 0.101 -0.853) 7.166 23.190 ( 7.007 -2.133 -4.087) 8.388 23.603 ( -15.068 -0.634 -1.171) 15.127 23.641 ( -13.398 -4.049 -2.334) 14.189 24.360 ( 0.316 0.734 0.015) 0.799 24.384 ( 0.229 -1.578 -1.628) 2.279 24.501 ( 1.224 0.708 0.439) 1.481 24.509 ( 0.876 -0.010 0.557) 1.038 24.580 ( 2.394 1.345 0.985) 2.918 24.605 ( 1.221 -0.956 0.541) 1.642 24.791 ( 0.452 2.511 1.862) 3.159 24.819 ( -0.284 0.037 0.765) 0.817 24.987 ( 9.141 -0.010 2.148) 9.390 25.003 ( 8.200 -1.432 0.902) 8.373 25.408 ( -4.234 0.784 -0.033) 4.306 25.428 ( -5.724 -1.103 -0.457) 5.847 25.480 ( -3.952 1.168 -0.792) 4.196 25.506 ( -4.515 -1.083 -0.749) 4.703 =================== 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 3/23400 10.0 126.700 174.194 75.833 0.000 -9.097 0.000 3/23400 20.0 28.169 40.159 19.280 0.000 -1.813 0.000 3/23400 30.0 13.864 18.557 10.093 0.000 -0.865 0.000 3/23400 40.0 8.964 11.477 6.763 0.000 -0.544 0.000 3/23400 50.0 6.599 8.232 5.101 0.000 -0.393 0.000 3/23400 60.0 5.233 6.427 4.116 0.000 -0.310 0.000 3/23400 70.0 4.350 5.288 3.464 0.000 -0.259 0.000 3/23400 80.0 3.733 4.506 3.001 0.000 -0.224 0.000 3/23400 90.0 3.277 3.934 2.652 0.000 -0.199 0.000 3/23400 100.0 2.924 3.497 2.379 0.000 -0.180 0.000 3/23400 110.0 2.643 3.150 2.158 0.000 -0.165 0.000 3/23400 120.0 2.413 2.868 1.975 0.000 -0.152 0.000 3/23400 130.0 2.222 2.634 1.822 0.000 -0.141 0.000 3/23400 140.0 2.060 2.436 1.691 0.000 -0.132 0.000 3/23400 150.0 1.921 2.266 1.578 0.000 -0.124 0.000 3/23400 160.0 1.800 2.120 1.479 0.000 -0.116 0.000 3/23400 170.0 1.695 1.991 1.392 0.000 -0.110 0.000 3/23400 180.0 1.602 1.878 1.315 0.000 -0.104 0.000 3/23400 190.0 1.519 1.778 1.246 0.000 -0.099 0.000 3/23400 200.0 1.445 1.688 1.184 0.000 -0.095 0.000 3/23400 210.0 1.379 1.607 1.129 0.000 -0.090 0.000 3/23400 220.0 1.319 1.533 1.078 0.000 -0.086 0.000 3/23400 230.0 1.264 1.467 1.032 0.000 -0.083 0.000 3/23400 240.0 1.214 1.406 0.990 0.000 -0.080 0.000 3/23400 250.0 1.168 1.350 0.951 0.000 -0.077 0.000 3/23400 260.0 1.126 1.298 0.915 0.000 -0.074 0.000 3/23400 270.0 1.086 1.251 0.882 0.000 -0.071 0.000 3/23400 280.0 1.050 1.207 0.852 0.000 -0.069 0.000 3/23400 290.0 1.016 1.166 0.823 0.000 -0.067 0.000 3/23400 300.0 0.985 1.127 0.796 0.000 -0.065 0.000 3/23400 310.0 0.955 1.092 0.771 0.000 -0.063 0.000 3/23400 320.0 0.927 1.058 0.748 0.000 -0.061 0.000 3/23400 330.0 0.901 1.027 0.726 0.000 -0.059 0.000 3/23400 340.0 0.877 0.997 0.705 0.000 -0.057 0.000 3/23400 350.0 0.853 0.969 0.686 0.000 -0.056 0.000 3/23400 360.0 0.831 0.943 0.667 0.000 -0.054 0.000 3/23400 370.0 0.810 0.918 0.650 0.000 -0.053 0.000 3/23400 380.0 0.791 0.894 0.633 0.000 -0.052 0.000 3/23400 390.0 0.772 0.871 0.618 0.000 -0.050 0.000 3/23400 400.0 0.754 0.850 0.603 0.000 -0.049 0.000 3/23400 410.0 0.737 0.830 0.589 0.000 -0.048 0.000 3/23400 420.0 0.720 0.810 0.575 0.000 -0.047 0.000 3/23400 430.0 0.705 0.792 0.562 0.000 -0.046 0.000 3/23400 440.0 0.690 0.774 0.550 0.000 -0.045 0.000 3/23400 450.0 0.675 0.757 0.538 0.000 -0.044 0.000 3/23400 460.0 0.662 0.741 0.526 0.000 -0.043 0.000 3/23400 470.0 0.648 0.726 0.516 0.000 -0.042 0.000 3/23400 480.0 0.636 0.711 0.505 0.000 -0.041 0.000 3/23400 490.0 0.624 0.697 0.495 0.000 -0.040 0.000 3/23400 500.0 0.612 0.683 0.486 0.000 -0.040 0.000 3/23400 510.0 0.601 0.670 0.476 0.000 -0.039 0.000 3/23400 520.0 0.590 0.657 0.467 0.000 -0.038 0.000 3/23400 530.0 0.579 0.645 0.459 0.000 -0.037 0.000 3/23400 540.0 0.569 0.633 0.451 0.000 -0.037 0.000 3/23400 550.0 0.559 0.622 0.443 0.000 -0.036 0.000 3/23400 560.0 0.550 0.611 0.435 0.000 -0.036 0.000 3/23400 570.0 0.541 0.600 0.427 0.000 -0.035 0.000 3/23400 580.0 0.532 0.590 0.420 0.000 -0.034 0.000 3/23400 590.0 0.523 0.580 0.413 0.000 -0.034 0.000 3/23400 600.0 0.515 0.571 0.407 0.000 -0.033 0.000 3/23400 610.0 0.507 0.562 0.400 0.000 -0.033 0.000 3/23400 620.0 0.499 0.553 0.394 0.000 -0.032 0.000 3/23400 630.0 0.492 0.544 0.388 0.000 -0.032 0.000 3/23400 640.0 0.484 0.536 0.382 0.000 -0.031 0.000 3/23400 650.0 0.477 0.528 0.376 0.000 -0.031 0.000 3/23400 660.0 0.470 0.520 0.370 0.000 -0.030 0.000 3/23400 670.0 0.464 0.512 0.365 0.000 -0.030 0.000 3/23400 680.0 0.457 0.505 0.360 0.000 -0.029 0.000 3/23400 690.0 0.451 0.497 0.355 0.000 -0.029 0.000 3/23400 700.0 0.445 0.490 0.350 0.000 -0.029 0.000 3/23400 710.0 0.439 0.484 0.345 0.000 -0.028 0.000 3/23400 720.0 0.433 0.477 0.340 0.000 -0.028 0.000 3/23400 730.0 0.427 0.471 0.336 0.000 -0.027 0.000 3/23400 740.0 0.422 0.464 0.331 0.000 -0.027 0.000 3/23400 750.0 0.416 0.458 0.327 0.000 -0.027 0.000 3/23400 760.0 0.411 0.452 0.323 0.000 -0.026 0.000 3/23400 770.0 0.406 0.446 0.318 0.000 -0.026 0.000 3/23400 780.0 0.401 0.441 0.314 0.000 -0.026 0.000 3/23400 790.0 0.396 0.435 0.311 0.000 -0.025 0.000 3/23400 800.0 0.391 0.430 0.307 0.000 -0.025 0.000 3/23400 810.0 0.386 0.425 0.303 0.000 -0.025 0.000 3/23400 820.0 0.382 0.419 0.299 0.000 -0.025 0.000 3/23400 830.0 0.377 0.414 0.296 0.000 -0.024 0.000 3/23400 840.0 0.373 0.410 0.292 0.000 -0.024 0.000 3/23400 850.0 0.369 0.405 0.289 0.000 -0.024 0.000 3/23400 860.0 0.365 0.400 0.286 0.000 -0.023 0.000 3/23400 870.0 0.361 0.396 0.282 0.000 -0.023 0.000 3/23400 880.0 0.357 0.391 0.279 0.000 -0.023 0.000 3/23400 890.0 0.353 0.387 0.276 0.000 -0.023 0.000 3/23400 900.0 0.349 0.382 0.273 0.000 -0.022 0.000 3/23400 910.0 0.345 0.378 0.270 0.000 -0.022 0.000 3/23400 920.0 0.341 0.374 0.267 0.000 -0.022 0.000 3/23400 930.0 0.338 0.370 0.264 0.000 -0.022 0.000 3/23400 940.0 0.334 0.366 0.262 0.000 -0.021 0.000 3/23400 950.0 0.331 0.363 0.259 0.000 -0.021 0.000 3/23400 960.0 0.328 0.359 0.256 0.000 -0.021 0.000 3/23400 970.0 0.324 0.355 0.254 0.000 -0.021 0.000 3/23400 980.0 0.321 0.352 0.251 0.000 -0.021 0.000 3/23400 990.0 0.318 0.348 0.249 0.000 -0.020 0.000 3/23400 1000.0 0.315 0.345 0.246 0.000 -0.020 0.000 3/23400 Thermal conductivity related properties were written into "kappa-m655.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 10:14:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|