----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:54:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ] Spacegroup: Fddd (70) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 0.000000000000000 5.618501595000001 6.290897585000000 b 2.864276799999999 0.000000000000000 6.290897585000000 c 2.864276799999999 5.618501595000001 0.000000000000000 Atomic positions (fractional): *1 O 0.32369818602033 0.82979888923232 0.49662228408713 15.999 2 O 0.34988064066022 0.49662228408713 0.82979888923232 15.999 3 O 0.49662228408713 0.34988064066022 0.32369818602033 15.999 4 O 0.82979888923232 0.32369818602033 0.34988064066022 15.999 5 O 0.92630181397967 0.42020111076768 0.75337771591287 15.999 6 O 0.90011935933978 0.75337771591287 0.42020111076768 15.999 7 O 0.42020111076768 0.92630181397967 0.90011935933978 15.999 8 O 0.75337771591287 0.90011935933978 0.92630181397967 15.999 *9 Se 0.50000000000000 0.50000000000000 0.50000000000000 78.960 10 Se 0.75000000000000 0.75000000000000 0.75000000000000 78.960 *11 Ag 0.79713332921902 0.20286667078098 0.79713332921902 107.868 12 Ag 0.20286667078098 0.79713332921902 0.20286667078098 107.868 13 Ag 0.45286667078098 0.04713332921902 0.45286667078098 107.868 14 Ag 0.04713332921902 0.45286667078098 0.04713332921902 107.868 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.728553599999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.237003190000001 0.000000000000000 c 0.000000000000000 0.000000000000000 12.581795169999999 Atomic positions (fractional): *1 O 0.16321058665973 0.91016023505373 0.57674853762633 15.999 > 1 2 O 0.16321058665973 0.58983976494627 0.92325146237367 15.999 > 2 3 O 0.33678941334027 0.91016023505373 0.92325146237367 15.999 > 3 4 O 0.33678941334027 0.58983976494627 0.57674853762633 15.999 > 4 5 O 0.58678941334027 0.83983976494627 0.67325146237367 15.999 > 5 6 O 0.58678941334027 0.66016023505373 0.82674853762633 15.999 > 6 7 O 0.91321058665973 0.66016023505373 0.67325146237367 15.999 > 7 8 O 0.91321058665973 0.83983976494627 0.82674853762633 15.999 > 8 9 O 0.16321058665973 0.41016023505373 0.07674853762633 15.999 > 1 10 O 0.16321058665973 0.08983976494627 0.42325146237367 15.999 > 2 11 O 0.33678941334027 0.41016023505373 0.42325146237367 15.999 > 3 12 O 0.33678941334027 0.08983976494627 0.07674853762633 15.999 > 4 13 O 0.58678941334027 0.33983976494627 0.17325146237367 15.999 > 5 14 O 0.58678941334027 0.16016023505373 0.32674853762633 15.999 > 6 15 O 0.91321058665973 0.16016023505373 0.17325146237367 15.999 > 7 16 O 0.91321058665973 0.33983976494627 0.32674853762633 15.999 > 8 17 O 0.66321058665973 0.91016023505373 0.07674853762633 15.999 > 1 18 O 0.66321058665973 0.58983976494627 0.42325146237367 15.999 > 2 19 O 0.83678941334027 0.91016023505373 0.42325146237367 15.999 > 3 20 O 0.83678941334027 0.58983976494627 0.07674853762633 15.999 > 4 21 O 0.08678941334027 0.83983976494627 0.17325146237367 15.999 > 5 22 O 0.08678941334027 0.66016023505373 0.32674853762633 15.999 > 6 23 O 0.41321058665973 0.66016023505373 0.17325146237367 15.999 > 7 24 O 0.41321058665973 0.83983976494627 0.32674853762633 15.999 > 8 25 O 0.66321058665973 0.41016023505373 0.57674853762633 15.999 > 1 26 O 0.66321058665973 0.08983976494627 0.92325146237367 15.999 > 2 27 O 0.83678941334027 0.41016023505373 0.92325146237367 15.999 > 3 28 O 0.83678941334027 0.08983976494627 0.57674853762633 15.999 > 4 29 O 0.08678941334027 0.33983976494627 0.67325146237367 15.999 > 5 30 O 0.08678941334027 0.16016023505373 0.82674853762633 15.999 > 6 31 O 0.41321058665973 0.16016023505373 0.67325146237367 15.999 > 7 32 O 0.41321058665973 0.33983976494627 0.82674853762633 15.999 > 8 *33 Se 0.50000000000000 0.00000000000000 0.00000000000000 78.960 > 9 34 Se 0.75000000000000 0.75000000000000 0.75000000000000 78.960 > 10 35 Se 0.50000000000000 0.50000000000000 0.50000000000000 78.960 > 9 36 Se 0.75000000000000 0.25000000000000 0.25000000000000 78.960 > 10 37 Se 0.00000000000000 0.00000000000000 0.50000000000000 78.960 > 9 38 Se 0.25000000000000 0.75000000000000 0.25000000000000 78.960 > 10 39 Se 0.00000000000000 0.50000000000000 0.00000000000000 78.960 > 9 40 Se 0.25000000000000 0.25000000000000 0.75000000000000 78.960 > 10 *41 Ag 0.00000000000000 0.79713332921902 0.00000000000000 107.868 > 11 42 Ag 0.50000000000000 0.70286667078098 0.00000000000000 107.868 > 12 43 Ag 0.25000000000000 0.95286667078098 0.75000000000000 107.868 > 13 44 Ag 0.25000000000000 0.54713332921902 0.75000000000000 107.868 > 14 45 Ag 0.00000000000000 0.29713332921902 0.50000000000000 107.868 > 11 46 Ag 0.50000000000000 0.20286667078098 0.50000000000000 107.868 > 12 47 Ag 0.25000000000000 0.45286667078098 0.25000000000000 107.868 > 13 48 Ag 0.25000000000000 0.04713332921902 0.25000000000000 107.868 > 14 49 Ag 0.50000000000000 0.79713332921902 0.50000000000000 107.868 > 11 50 Ag 0.00000000000000 0.70286667078098 0.50000000000000 107.868 > 12 51 Ag 0.75000000000000 0.95286667078098 0.25000000000000 107.868 > 13 52 Ag 0.75000000000000 0.54713332921902 0.25000000000000 107.868 > 14 53 Ag 0.50000000000000 0.29713332921902 0.00000000000000 107.868 > 11 54 Ag 0.00000000000000 0.20286667078098 0.00000000000000 107.868 > 12 55 Ag 0.75000000000000 0.45286667078098 0.75000000000000 107.868 > 13 56 Ag 0.75000000000000 0.04713332921902 0.75000000000000 107.868 > 14 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.457107199999998 0.000000000000000 0.000000000000000 b 0.000000000000000 11.237003190000001 0.000000000000000 c 0.000000000000000 0.000000000000000 12.581795169999999 Atomic positions (fractional): *1 O 0.08160529332986 0.91016023505373 0.57674853762633 15.999 > 1 2 O 0.58160529332986 0.91016023505373 0.57674853762633 15.999 > 1 3 O 0.08160529332986 0.58983976494627 0.92325146237367 15.999 > 2 4 O 0.58160529332986 0.58983976494627 0.92325146237367 15.999 > 2 5 O 0.16839470667014 0.91016023505373 0.92325146237367 15.999 > 3 6 O 0.66839470667014 0.91016023505373 0.92325146237367 15.999 > 3 7 O 0.16839470667014 0.58983976494627 0.57674853762633 15.999 > 4 8 O 0.66839470667014 0.58983976494627 0.57674853762633 15.999 > 4 9 O 0.29339470667014 0.83983976494627 0.67325146237367 15.999 > 5 10 O 0.79339470667014 0.83983976494627 0.67325146237367 15.999 > 5 11 O 0.29339470667014 0.66016023505373 0.82674853762633 15.999 > 6 12 O 0.79339470667014 0.66016023505373 0.82674853762633 15.999 > 6 13 O 0.45660529332986 0.66016023505373 0.67325146237367 15.999 > 7 14 O 0.95660529332986 0.66016023505373 0.67325146237367 15.999 > 7 15 O 0.45660529332986 0.83983976494627 0.82674853762633 15.999 > 8 16 O 0.95660529332986 0.83983976494627 0.82674853762633 15.999 > 8 17 O 0.08160529332986 0.41016023505373 0.07674853762633 15.999 > 1 18 O 0.58160529332986 0.41016023505373 0.07674853762633 15.999 > 1 19 O 0.08160529332986 0.08983976494627 0.42325146237367 15.999 > 2 20 O 0.58160529332986 0.08983976494627 0.42325146237367 15.999 > 2 21 O 0.16839470667014 0.41016023505373 0.42325146237367 15.999 > 3 22 O 0.66839470667014 0.41016023505373 0.42325146237367 15.999 > 3 23 O 0.16839470667014 0.08983976494627 0.07674853762633 15.999 > 4 24 O 0.66839470667014 0.08983976494627 0.07674853762633 15.999 > 4 25 O 0.29339470667014 0.33983976494627 0.17325146237367 15.999 > 5 26 O 0.79339470667014 0.33983976494627 0.17325146237367 15.999 > 5 27 O 0.29339470667014 0.16016023505373 0.32674853762633 15.999 > 6 28 O 0.79339470667014 0.16016023505373 0.32674853762633 15.999 > 6 29 O 0.45660529332986 0.16016023505373 0.17325146237367 15.999 > 7 30 O 0.95660529332986 0.16016023505373 0.17325146237367 15.999 > 7 31 O 0.45660529332986 0.33983976494627 0.32674853762633 15.999 > 8 32 O 0.95660529332986 0.33983976494627 0.32674853762633 15.999 > 8 33 O 0.33160529332986 0.91016023505373 0.07674853762633 15.999 > 1 34 O 0.83160529332986 0.91016023505373 0.07674853762633 15.999 > 1 35 O 0.33160529332986 0.58983976494627 0.42325146237367 15.999 > 2 36 O 0.83160529332986 0.58983976494627 0.42325146237367 15.999 > 2 37 O 0.41839470667014 0.91016023505373 0.42325146237367 15.999 > 3 38 O 0.91839470667014 0.91016023505373 0.42325146237367 15.999 > 3 39 O 0.41839470667014 0.58983976494627 0.07674853762633 15.999 > 4 40 O 0.91839470667014 0.58983976494627 0.07674853762633 15.999 > 4 41 O 0.04339470667014 0.83983976494627 0.17325146237367 15.999 > 5 42 O 0.54339470667014 0.83983976494627 0.17325146237367 15.999 > 5 43 O 0.04339470667014 0.66016023505373 0.32674853762633 15.999 > 6 44 O 0.54339470667014 0.66016023505373 0.32674853762633 15.999 > 6 45 O 0.20660529332986 0.66016023505373 0.17325146237367 15.999 > 7 46 O 0.70660529332986 0.66016023505373 0.17325146237367 15.999 > 7 47 O 0.20660529332986 0.83983976494627 0.32674853762633 15.999 > 8 48 O 0.70660529332986 0.83983976494627 0.32674853762633 15.999 > 8 49 O 0.33160529332986 0.41016023505373 0.57674853762633 15.999 > 1 50 O 0.83160529332986 0.41016023505373 0.57674853762633 15.999 > 1 51 O 0.33160529332986 0.08983976494627 0.92325146237367 15.999 > 2 52 O 0.83160529332986 0.08983976494627 0.92325146237367 15.999 > 2 53 O 0.41839470667014 0.41016023505373 0.92325146237367 15.999 > 3 54 O 0.91839470667014 0.41016023505373 0.92325146237367 15.999 > 3 55 O 0.41839470667014 0.08983976494627 0.57674853762633 15.999 > 4 56 O 0.91839470667014 0.08983976494627 0.57674853762633 15.999 > 4 57 O 0.04339470667014 0.33983976494627 0.67325146237367 15.999 > 5 58 O 0.54339470667014 0.33983976494627 0.67325146237367 15.999 > 5 59 O 0.04339470667014 0.16016023505373 0.82674853762633 15.999 > 6 60 O 0.54339470667014 0.16016023505373 0.82674853762633 15.999 > 6 61 O 0.20660529332986 0.16016023505373 0.67325146237367 15.999 > 7 62 O 0.70660529332986 0.16016023505373 0.67325146237367 15.999 > 7 63 O 0.20660529332986 0.33983976494627 0.82674853762633 15.999 > 8 64 O 0.70660529332986 0.33983976494627 0.82674853762633 15.999 > 8 *65 Se 0.25000000000000 0.00000000000000 0.00000000000000 78.960 > 9 66 Se 0.75000000000000 0.00000000000000 0.00000000000000 78.960 > 9 67 Se 0.37500000000000 0.75000000000000 0.75000000000000 78.960 > 10 68 Se 0.87500000000000 0.75000000000000 0.75000000000000 78.960 > 10 69 Se 0.25000000000000 0.50000000000000 0.50000000000000 78.960 > 9 70 Se 0.75000000000000 0.50000000000000 0.50000000000000 78.960 > 9 71 Se 0.37500000000000 0.25000000000000 0.25000000000000 78.960 > 10 72 Se 0.87500000000000 0.25000000000000 0.25000000000000 78.960 > 10 73 Se 0.00000000000000 0.00000000000000 0.50000000000000 78.960 > 9 74 Se 0.50000000000000 0.00000000000000 0.50000000000000 78.960 > 9 75 Se 0.12500000000000 0.75000000000000 0.25000000000000 78.960 > 10 76 Se 0.62500000000000 0.75000000000000 0.25000000000000 78.960 > 10 77 Se 0.00000000000000 0.50000000000000 0.00000000000000 78.960 > 9 78 Se 0.50000000000000 0.50000000000000 0.00000000000000 78.960 > 9 79 Se 0.12500000000000 0.25000000000000 0.75000000000000 78.960 > 10 80 Se 0.62500000000000 0.25000000000000 0.75000000000000 78.960 > 10 *81 Ag 0.00000000000000 0.79713332921902 0.00000000000000 107.868 > 11 82 Ag 0.50000000000000 0.79713332921902 0.00000000000000 107.868 > 11 83 Ag 0.25000000000000 0.70286667078098 0.00000000000000 107.868 > 12 84 Ag 0.75000000000000 0.70286667078098 0.00000000000000 107.868 > 12 85 Ag 0.12500000000000 0.95286667078098 0.75000000000000 107.868 > 13 86 Ag 0.62500000000000 0.95286667078098 0.75000000000000 107.868 > 13 87 Ag 0.12500000000000 0.54713332921902 0.75000000000000 107.868 > 14 88 Ag 0.62500000000000 0.54713332921902 0.75000000000000 107.868 > 14 89 Ag 0.00000000000000 0.29713332921902 0.50000000000000 107.868 > 11 90 Ag 0.50000000000000 0.29713332921902 0.50000000000000 107.868 > 11 91 Ag 0.25000000000000 0.20286667078098 0.50000000000000 107.868 > 12 92 Ag 0.75000000000000 0.20286667078098 0.50000000000000 107.868 > 12 93 Ag 0.12500000000000 0.45286667078098 0.25000000000000 107.868 > 13 94 Ag 0.62500000000000 0.45286667078098 0.25000000000000 107.868 > 13 95 Ag 0.12500000000000 0.04713332921902 0.25000000000000 107.868 > 14 96 Ag 0.62500000000000 0.04713332921902 0.25000000000000 107.868 > 14 97 Ag 0.25000000000000 0.79713332921902 0.50000000000000 107.868 > 11 98 Ag 0.75000000000000 0.79713332921902 0.50000000000000 107.868 > 11 99 Ag 0.00000000000000 0.70286667078098 0.50000000000000 107.868 > 12 100 Ag 0.50000000000000 0.70286667078098 0.50000000000000 107.868 > 12 101 Ag 0.37500000000000 0.95286667078098 0.25000000000000 107.868 > 13 102 Ag 0.87500000000000 0.95286667078098 0.25000000000000 107.868 > 13 103 Ag 0.37500000000000 0.54713332921902 0.25000000000000 107.868 > 14 104 Ag 0.87500000000000 0.54713332921902 0.25000000000000 107.868 > 14 105 Ag 0.25000000000000 0.29713332921902 0.00000000000000 107.868 > 11 106 Ag 0.75000000000000 0.29713332921902 0.00000000000000 107.868 > 11 107 Ag 0.00000000000000 0.20286667078098 0.00000000000000 107.868 > 12 108 Ag 0.50000000000000 0.20286667078098 0.00000000000000 107.868 > 12 109 Ag 0.37500000000000 0.45286667078098 0.75000000000000 107.868 > 13 110 Ag 0.87500000000000 0.45286667078098 0.75000000000000 107.868 > 13 111 Ag 0.37500000000000 0.04713332921902 0.75000000000000 107.868 > 14 112 Ag 0.87500000000000 0.04713332921902 0.75000000000000 107.868 > 14 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.3527122 0.0000000 0.0000000 0.0000000 5.2547977 0.0000000 0.0000000 0.0000000 5.0919994 -------------------------- Born effective charges -------------------------- 1 O -1.3347456 0.4986757 -0.3912210 0.4493369 -1.5831609 0.2056717 -0.5013710 0.4271042 -1.5260802 2 O -1.3347456 -0.4986757 0.3912210 -0.4493369 -1.5831609 0.2056717 0.5013710 0.4271042 -1.5260802 3 O -1.3347456 -0.4986757 -0.3912210 -0.4493369 -1.5831609 -0.2056717 -0.5013710 -0.4271042 -1.5260802 4 O -1.3347456 0.4986757 0.3912210 0.4493369 -1.5831609 -0.2056717 0.5013710 -0.4271042 -1.5260802 5 O -1.3347456 0.4986757 -0.3912210 0.4493369 -1.5831609 0.2056717 -0.5013710 0.4271042 -1.5260802 6 O -1.3347456 -0.4986757 0.3912210 -0.4493369 -1.5831609 0.2056717 0.5013710 0.4271042 -1.5260802 7 O -1.3347456 0.4986757 0.3912210 0.4493369 -1.5831609 -0.2056717 0.5013710 -0.4271042 -1.5260802 8 O -1.3347456 -0.4986757 -0.3912210 -0.4493369 -1.5831609 -0.2056717 -0.5013710 -0.4271042 -1.5260802 9 Se 2.8998656 0.0000000 0.0000000 0.0000000 3.5915969 0.0000000 0.0000000 0.0000000 3.1430617 10 Se 2.8998656 0.0000000 0.0000000 0.0000000 3.5915969 0.0000000 0.0000000 0.0000000 3.1430617 11 Ag 1.2195584 0.0000000 0.0710999 0.0000000 1.3705234 0.0000000 0.1564547 0.0000000 1.4806296 12 Ag 1.2195584 0.0000000 -0.0710999 0.0000000 1.3705234 0.0000000 -0.1564547 0.0000000 1.4806296 13 Ag 1.2195584 0.0000000 0.0710999 0.0000000 1.3705234 0.0000000 0.1564547 0.0000000 1.4806296 14 Ag 1.2195584 0.0000000 -0.0710999 0.0000000 1.3705234 0.0000000 -0.1564547 0.0000000 1.4806296 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 336/336 Permutation basis: 9366/9366 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 972 Number of blocks in projector: 972 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: 202 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 188 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 186 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 132 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 132 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 132 Use standard eigh solver. Tree of FC basis block matrices: - (972, 955), data: False |-- (132, 129), data: True |-- (132, 129), data: True |-- (132, 129), data: True |-- (186, 184), data: True |-- (188, 186), data: True |-- (202, 198), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 240 - Time: 1.014 Solver_block: 200 / 240 - Time: 1.008 Solver_block: 240 / 240 - Time: 0.463 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.505 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 336/336 Permutation basis: 9366/9366 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 972 Number of blocks in projector: 972 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: 202 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 188 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 186 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 132 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 132 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 132 Use standard eigh solver. Tree of FC basis block matrices: - (972, 955), data: False |-- (132, 129), data: True |-- (132, 129), data: True |-- (132, 129), data: True |-- (186, 184), data: True |-- (188, 186), data: True |-- (202, 198), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:54:17]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:54:17]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ] Spacegroup: Fddd (70) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 0.000000000000000 5.618501595000001 6.290897585000000 b 2.864276799999999 0.000000000000000 6.290897585000000 c 2.864276799999999 5.618501595000001 0.000000000000000 Atomic positions (fractional): 1 O 0.32369818602033 0.82979888923232 0.49662228408713 15.999 2 O 0.34988064066022 0.49662228408713 0.82979888923232 15.999 3 O 0.49662228408713 0.34988064066022 0.32369818602033 15.999 4 O 0.82979888923232 0.32369818602033 0.34988064066022 15.999 5 O 0.92630181397967 0.42020111076768 0.75337771591287 15.999 6 O 0.90011935933978 0.75337771591287 0.42020111076768 15.999 7 O 0.42020111076768 0.92630181397967 0.90011935933978 15.999 8 O 0.75337771591287 0.90011935933978 0.92630181397967 15.999 9 Se 0.50000000000000 0.50000000000000 0.50000000000000 78.960 10 Se 0.75000000000000 0.75000000000000 0.75000000000000 78.960 11 Ag 0.79713332921902 0.20286667078098 0.79713332921902 107.868 12 Ag 0.20286667078098 0.79713332921902 0.20286667078098 107.868 13 Ag 0.45286667078098 0.04713332921902 0.45286667078098 107.868 14 Ag 0.04713332921902 0.45286667078098 0.04713332921902 107.868 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.457107199999998 0.000000000000000 0.000000000000000 b 0.000000000000000 11.237003190000001 0.000000000000000 c 0.000000000000000 0.000000000000000 12.581795169999999 Atomic positions (fractional): 1 O 0.08160529332986 0.91016023505373 0.57674853762633 15.999 > 1 2 O 0.58160529332986 0.91016023505373 0.57674853762633 15.999 > 1 3 O 0.08160529332986 0.58983976494627 0.92325146237367 15.999 > 3 4 O 0.58160529332986 0.58983976494627 0.92325146237367 15.999 > 3 5 O 0.16839470667014 0.91016023505373 0.92325146237367 15.999 > 5 6 O 0.66839470667014 0.91016023505373 0.92325146237367 15.999 > 5 7 O 0.16839470667014 0.58983976494627 0.57674853762633 15.999 > 7 8 O 0.66839470667014 0.58983976494627 0.57674853762633 15.999 > 7 9 O 0.29339470667014 0.83983976494627 0.67325146237367 15.999 > 9 10 O 0.79339470667014 0.83983976494627 0.67325146237367 15.999 > 9 11 O 0.29339470667014 0.66016023505373 0.82674853762633 15.999 > 11 12 O 0.79339470667014 0.66016023505373 0.82674853762633 15.999 > 11 13 O 0.45660529332986 0.66016023505373 0.67325146237367 15.999 > 13 14 O 0.95660529332986 0.66016023505373 0.67325146237367 15.999 > 13 15 O 0.45660529332986 0.83983976494627 0.82674853762633 15.999 > 15 16 O 0.95660529332986 0.83983976494627 0.82674853762633 15.999 > 15 17 O 0.08160529332986 0.41016023505373 0.07674853762633 15.999 > 1 18 O 0.58160529332986 0.41016023505373 0.07674853762633 15.999 > 1 19 O 0.08160529332986 0.08983976494627 0.42325146237367 15.999 > 3 20 O 0.58160529332986 0.08983976494627 0.42325146237367 15.999 > 3 21 O 0.16839470667014 0.41016023505373 0.42325146237367 15.999 > 5 22 O 0.66839470667014 0.41016023505373 0.42325146237367 15.999 > 5 23 O 0.16839470667014 0.08983976494627 0.07674853762633 15.999 > 7 24 O 0.66839470667014 0.08983976494627 0.07674853762633 15.999 > 7 25 O 0.29339470667014 0.33983976494627 0.17325146237367 15.999 > 9 26 O 0.79339470667014 0.33983976494627 0.17325146237367 15.999 > 9 27 O 0.29339470667014 0.16016023505373 0.32674853762633 15.999 > 11 28 O 0.79339470667014 0.16016023505373 0.32674853762633 15.999 > 11 29 O 0.45660529332986 0.16016023505373 0.17325146237367 15.999 > 13 30 O 0.95660529332986 0.16016023505373 0.17325146237367 15.999 > 13 31 O 0.45660529332986 0.33983976494627 0.32674853762633 15.999 > 15 32 O 0.95660529332986 0.33983976494627 0.32674853762633 15.999 > 15 33 O 0.33160529332986 0.91016023505373 0.07674853762633 15.999 > 1 34 O 0.83160529332986 0.91016023505373 0.07674853762633 15.999 > 1 35 O 0.33160529332986 0.58983976494627 0.42325146237367 15.999 > 3 36 O 0.83160529332986 0.58983976494627 0.42325146237367 15.999 > 3 37 O 0.41839470667014 0.91016023505373 0.42325146237367 15.999 > 5 38 O 0.91839470667014 0.91016023505373 0.42325146237367 15.999 > 5 39 O 0.41839470667014 0.58983976494627 0.07674853762633 15.999 > 7 40 O 0.91839470667014 0.58983976494627 0.07674853762633 15.999 > 7 41 O 0.04339470667014 0.83983976494627 0.17325146237367 15.999 > 9 42 O 0.54339470667014 0.83983976494627 0.17325146237367 15.999 > 9 43 O 0.04339470667014 0.66016023505373 0.32674853762633 15.999 > 11 44 O 0.54339470667014 0.66016023505373 0.32674853762633 15.999 > 11 45 O 0.20660529332986 0.66016023505373 0.17325146237367 15.999 > 13 46 O 0.70660529332986 0.66016023505373 0.17325146237367 15.999 > 13 47 O 0.20660529332986 0.83983976494627 0.32674853762633 15.999 > 15 48 O 0.70660529332986 0.83983976494627 0.32674853762633 15.999 > 15 49 O 0.33160529332986 0.41016023505373 0.57674853762633 15.999 > 1 50 O 0.83160529332986 0.41016023505373 0.57674853762633 15.999 > 1 51 O 0.33160529332986 0.08983976494627 0.92325146237367 15.999 > 3 52 O 0.83160529332986 0.08983976494627 0.92325146237367 15.999 > 3 53 O 0.41839470667014 0.41016023505373 0.92325146237367 15.999 > 5 54 O 0.91839470667014 0.41016023505373 0.92325146237367 15.999 > 5 55 O 0.41839470667014 0.08983976494627 0.57674853762633 15.999 > 7 56 O 0.91839470667014 0.08983976494627 0.57674853762633 15.999 > 7 57 O 0.04339470667014 0.33983976494627 0.67325146237367 15.999 > 9 58 O 0.54339470667014 0.33983976494627 0.67325146237367 15.999 > 9 59 O 0.04339470667014 0.16016023505373 0.82674853762633 15.999 > 11 60 O 0.54339470667014 0.16016023505373 0.82674853762633 15.999 > 11 61 O 0.20660529332986 0.16016023505373 0.67325146237367 15.999 > 13 62 O 0.70660529332986 0.16016023505373 0.67325146237367 15.999 > 13 63 O 0.20660529332986 0.33983976494627 0.82674853762633 15.999 > 15 64 O 0.70660529332986 0.33983976494627 0.82674853762633 15.999 > 15 65 Se 0.25000000000000 0.00000000000000 0.00000000000000 78.960 > 65 66 Se 0.75000000000000 0.00000000000000 0.00000000000000 78.960 > 65 67 Se 0.37500000000000 0.75000000000000 0.75000000000000 78.960 > 67 68 Se 0.87500000000000 0.75000000000000 0.75000000000000 78.960 > 67 69 Se 0.25000000000000 0.50000000000000 0.50000000000000 78.960 > 65 70 Se 0.75000000000000 0.50000000000000 0.50000000000000 78.960 > 65 71 Se 0.37500000000000 0.25000000000000 0.25000000000000 78.960 > 67 72 Se 0.87500000000000 0.25000000000000 0.25000000000000 78.960 > 67 73 Se 0.00000000000000 0.00000000000000 0.50000000000000 78.960 > 65 74 Se 0.50000000000000 0.00000000000000 0.50000000000000 78.960 > 65 75 Se 0.12500000000000 0.75000000000000 0.25000000000000 78.960 > 67 76 Se 0.62500000000000 0.75000000000000 0.25000000000000 78.960 > 67 77 Se 0.00000000000000 0.50000000000000 0.00000000000000 78.960 > 65 78 Se 0.50000000000000 0.50000000000000 0.00000000000000 78.960 > 65 79 Se 0.12500000000000 0.25000000000000 0.75000000000000 78.960 > 67 80 Se 0.62500000000000 0.25000000000000 0.75000000000000 78.960 > 67 81 Ag 0.00000000000000 0.79713332921902 0.00000000000000 107.868 > 81 82 Ag 0.50000000000000 0.79713332921902 0.00000000000000 107.868 > 81 83 Ag 0.25000000000000 0.70286667078098 0.00000000000000 107.868 > 83 84 Ag 0.75000000000000 0.70286667078098 0.00000000000000 107.868 > 83 85 Ag 0.12500000000000 0.95286667078098 0.75000000000000 107.868 > 85 86 Ag 0.62500000000000 0.95286667078098 0.75000000000000 107.868 > 85 87 Ag 0.12500000000000 0.54713332921902 0.75000000000000 107.868 > 87 88 Ag 0.62500000000000 0.54713332921902 0.75000000000000 107.868 > 87 89 Ag 0.00000000000000 0.29713332921902 0.50000000000000 107.868 > 81 90 Ag 0.50000000000000 0.29713332921902 0.50000000000000 107.868 > 81 91 Ag 0.25000000000000 0.20286667078098 0.50000000000000 107.868 > 83 92 Ag 0.75000000000000 0.20286667078098 0.50000000000000 107.868 > 83 93 Ag 0.12500000000000 0.45286667078098 0.25000000000000 107.868 > 85 94 Ag 0.62500000000000 0.45286667078098 0.25000000000000 107.868 > 85 95 Ag 0.12500000000000 0.04713332921902 0.25000000000000 107.868 > 87 96 Ag 0.62500000000000 0.04713332921902 0.25000000000000 107.868 > 87 97 Ag 0.25000000000000 0.79713332921902 0.50000000000000 107.868 > 81 98 Ag 0.75000000000000 0.79713332921902 0.50000000000000 107.868 > 81 99 Ag 0.00000000000000 0.70286667078098 0.50000000000000 107.868 > 83 100 Ag 0.50000000000000 0.70286667078098 0.50000000000000 107.868 > 83 101 Ag 0.37500000000000 0.95286667078098 0.25000000000000 107.868 > 85 102 Ag 0.87500000000000 0.95286667078098 0.25000000000000 107.868 > 85 103 Ag 0.37500000000000 0.54713332921902 0.25000000000000 107.868 > 87 104 Ag 0.87500000000000 0.54713332921902 0.25000000000000 107.868 > 87 105 Ag 0.25000000000000 0.29713332921902 0.00000000000000 107.868 > 81 106 Ag 0.75000000000000 0.29713332921902 0.00000000000000 107.868 > 81 107 Ag 0.00000000000000 0.20286667078098 0.00000000000000 107.868 > 83 108 Ag 0.50000000000000 0.20286667078098 0.00000000000000 107.868 > 83 109 Ag 0.37500000000000 0.45286667078098 0.75000000000000 107.868 > 85 110 Ag 0.87500000000000 0.45286667078098 0.75000000000000 107.868 > 85 111 Ag 0.37500000000000 0.04713332921902 0.75000000000000 107.868 > 87 112 Ag 0.87500000000000 0.04713332921902 0.75000000000000 107.868 > 87 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.3527122 0.0000000 0.0000000 0.0000000 5.2547977 0.0000000 0.0000000 0.0000000 5.0919994 -------------------------- Born effective charges -------------------------- 1 O -1.3347456 0.4986757 -0.3912210 0.4493369 -1.5831609 0.2056717 -0.5013710 0.4271042 -1.5260802 2 O -1.3347456 -0.4986757 0.3912210 -0.4493369 -1.5831609 0.2056717 0.5013710 0.4271042 -1.5260802 3 O -1.3347456 -0.4986757 -0.3912210 -0.4493369 -1.5831609 -0.2056717 -0.5013710 -0.4271042 -1.5260802 4 O -1.3347456 0.4986757 0.3912210 0.4493369 -1.5831609 -0.2056717 0.5013710 -0.4271042 -1.5260802 5 O -1.3347456 0.4986757 -0.3912210 0.4493369 -1.5831609 0.2056717 -0.5013710 0.4271042 -1.5260802 6 O -1.3347456 -0.4986757 0.3912210 -0.4493369 -1.5831609 0.2056717 0.5013710 0.4271042 -1.5260802 7 O -1.3347456 0.4986757 0.3912210 0.4493369 -1.5831609 -0.2056717 0.5013710 -0.4271042 -1.5260802 8 O -1.3347456 -0.4986757 -0.3912210 -0.4493369 -1.5831609 -0.2056717 -0.5013710 -0.4271042 -1.5260802 9 Se 2.8998656 0.0000000 0.0000000 0.0000000 3.5915969 0.0000000 0.0000000 0.0000000 3.1430617 10 Se 2.8998656 0.0000000 0.0000000 0.0000000 3.5915969 0.0000000 0.0000000 0.0000000 3.1430617 11 Ag 1.2195584 0.0000000 0.0710999 0.0000000 1.3705234 0.0000000 0.1564547 0.0000000 1.4806296 12 Ag 1.2195584 0.0000000 -0.0710999 0.0000000 1.3705234 0.0000000 -0.1564547 0.0000000 1.4806296 13 Ag 1.2195584 0.0000000 0.0710999 0.0000000 1.3705234 0.0000000 0.1564547 0.0000000 1.4806296 14 Ag 1.2195584 0.0000000 -0.0710999 0.0000000 1.3705234 0.0000000 -0.1564547 0.0000000 1.4806296 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000002 (xzy) 0.00000002 (xzy) 0.00000002 (xyz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xy) 0.00000000 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:54:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:54:30]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ] Spacegroup: Fddd (70) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 0.000000000000000 5.618501595000001 6.290897585000000 b 2.864276799999999 0.000000000000000 6.290897585000000 c 2.864276799999999 5.618501595000001 0.000000000000000 Atomic positions (fractional): 1 O 0.32369818602033 0.82979888923232 0.49662228408713 15.999 2 O 0.34988064066022 0.49662228408713 0.82979888923232 15.999 3 O 0.49662228408713 0.34988064066022 0.32369818602033 15.999 4 O 0.82979888923232 0.32369818602033 0.34988064066022 15.999 5 O 0.92630181397967 0.42020111076768 0.75337771591287 15.999 6 O 0.90011935933978 0.75337771591287 0.42020111076768 15.999 7 O 0.42020111076768 0.92630181397967 0.90011935933978 15.999 8 O 0.75337771591287 0.90011935933978 0.92630181397967 15.999 9 Se 0.50000000000000 0.50000000000000 0.50000000000000 78.960 10 Se 0.75000000000000 0.75000000000000 0.75000000000000 78.960 11 Ag 0.79713332921902 0.20286667078098 0.79713332921902 107.868 12 Ag 0.20286667078098 0.79713332921902 0.20286667078098 107.868 13 Ag 0.45286667078098 0.04713332921902 0.45286667078098 107.868 14 Ag 0.04713332921902 0.45286667078098 0.04713332921902 107.868 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.457107199999998 0.000000000000000 0.000000000000000 b 0.000000000000000 11.237003190000001 0.000000000000000 c 0.000000000000000 0.000000000000000 12.581795169999999 Atomic positions (fractional): 1 O 0.08160529332986 0.91016023505373 0.57674853762633 15.999 > 1 2 O 0.58160529332986 0.91016023505373 0.57674853762633 15.999 > 1 3 O 0.08160529332986 0.58983976494627 0.92325146237367 15.999 > 3 4 O 0.58160529332986 0.58983976494627 0.92325146237367 15.999 > 3 5 O 0.16839470667014 0.91016023505373 0.92325146237367 15.999 > 5 6 O 0.66839470667014 0.91016023505373 0.92325146237367 15.999 > 5 7 O 0.16839470667014 0.58983976494627 0.57674853762633 15.999 > 7 8 O 0.66839470667014 0.58983976494627 0.57674853762633 15.999 > 7 9 O 0.29339470667014 0.83983976494627 0.67325146237367 15.999 > 9 10 O 0.79339470667014 0.83983976494627 0.67325146237367 15.999 > 9 11 O 0.29339470667014 0.66016023505373 0.82674853762633 15.999 > 11 12 O 0.79339470667014 0.66016023505373 0.82674853762633 15.999 > 11 13 O 0.45660529332986 0.66016023505373 0.67325146237367 15.999 > 13 14 O 0.95660529332986 0.66016023505373 0.67325146237367 15.999 > 13 15 O 0.45660529332986 0.83983976494627 0.82674853762633 15.999 > 15 16 O 0.95660529332986 0.83983976494627 0.82674853762633 15.999 > 15 17 O 0.08160529332986 0.41016023505373 0.07674853762633 15.999 > 1 18 O 0.58160529332986 0.41016023505373 0.07674853762633 15.999 > 1 19 O 0.08160529332986 0.08983976494627 0.42325146237367 15.999 > 3 20 O 0.58160529332986 0.08983976494627 0.42325146237367 15.999 > 3 21 O 0.16839470667014 0.41016023505373 0.42325146237367 15.999 > 5 22 O 0.66839470667014 0.41016023505373 0.42325146237367 15.999 > 5 23 O 0.16839470667014 0.08983976494627 0.07674853762633 15.999 > 7 24 O 0.66839470667014 0.08983976494627 0.07674853762633 15.999 > 7 25 O 0.29339470667014 0.33983976494627 0.17325146237367 15.999 > 9 26 O 0.79339470667014 0.33983976494627 0.17325146237367 15.999 > 9 27 O 0.29339470667014 0.16016023505373 0.32674853762633 15.999 > 11 28 O 0.79339470667014 0.16016023505373 0.32674853762633 15.999 > 11 29 O 0.45660529332986 0.16016023505373 0.17325146237367 15.999 > 13 30 O 0.95660529332986 0.16016023505373 0.17325146237367 15.999 > 13 31 O 0.45660529332986 0.33983976494627 0.32674853762633 15.999 > 15 32 O 0.95660529332986 0.33983976494627 0.32674853762633 15.999 > 15 33 O 0.33160529332986 0.91016023505373 0.07674853762633 15.999 > 1 34 O 0.83160529332986 0.91016023505373 0.07674853762633 15.999 > 1 35 O 0.33160529332986 0.58983976494627 0.42325146237367 15.999 > 3 36 O 0.83160529332986 0.58983976494627 0.42325146237367 15.999 > 3 37 O 0.41839470667014 0.91016023505373 0.42325146237367 15.999 > 5 38 O 0.91839470667014 0.91016023505373 0.42325146237367 15.999 > 5 39 O 0.41839470667014 0.58983976494627 0.07674853762633 15.999 > 7 40 O 0.91839470667014 0.58983976494627 0.07674853762633 15.999 > 7 41 O 0.04339470667014 0.83983976494627 0.17325146237367 15.999 > 9 42 O 0.54339470667014 0.83983976494627 0.17325146237367 15.999 > 9 43 O 0.04339470667014 0.66016023505373 0.32674853762633 15.999 > 11 44 O 0.54339470667014 0.66016023505373 0.32674853762633 15.999 > 11 45 O 0.20660529332986 0.66016023505373 0.17325146237367 15.999 > 13 46 O 0.70660529332986 0.66016023505373 0.17325146237367 15.999 > 13 47 O 0.20660529332986 0.83983976494627 0.32674853762633 15.999 > 15 48 O 0.70660529332986 0.83983976494627 0.32674853762633 15.999 > 15 49 O 0.33160529332986 0.41016023505373 0.57674853762633 15.999 > 1 50 O 0.83160529332986 0.41016023505373 0.57674853762633 15.999 > 1 51 O 0.33160529332986 0.08983976494627 0.92325146237367 15.999 > 3 52 O 0.83160529332986 0.08983976494627 0.92325146237367 15.999 > 3 53 O 0.41839470667014 0.41016023505373 0.92325146237367 15.999 > 5 54 O 0.91839470667014 0.41016023505373 0.92325146237367 15.999 > 5 55 O 0.41839470667014 0.08983976494627 0.57674853762633 15.999 > 7 56 O 0.91839470667014 0.08983976494627 0.57674853762633 15.999 > 7 57 O 0.04339470667014 0.33983976494627 0.67325146237367 15.999 > 9 58 O 0.54339470667014 0.33983976494627 0.67325146237367 15.999 > 9 59 O 0.04339470667014 0.16016023505373 0.82674853762633 15.999 > 11 60 O 0.54339470667014 0.16016023505373 0.82674853762633 15.999 > 11 61 O 0.20660529332986 0.16016023505373 0.67325146237367 15.999 > 13 62 O 0.70660529332986 0.16016023505373 0.67325146237367 15.999 > 13 63 O 0.20660529332986 0.33983976494627 0.82674853762633 15.999 > 15 64 O 0.70660529332986 0.33983976494627 0.82674853762633 15.999 > 15 65 Se 0.25000000000000 0.00000000000000 0.00000000000000 78.960 > 65 66 Se 0.75000000000000 0.00000000000000 0.00000000000000 78.960 > 65 67 Se 0.37500000000000 0.75000000000000 0.75000000000000 78.960 > 67 68 Se 0.87500000000000 0.75000000000000 0.75000000000000 78.960 > 67 69 Se 0.25000000000000 0.50000000000000 0.50000000000000 78.960 > 65 70 Se 0.75000000000000 0.50000000000000 0.50000000000000 78.960 > 65 71 Se 0.37500000000000 0.25000000000000 0.25000000000000 78.960 > 67 72 Se 0.87500000000000 0.25000000000000 0.25000000000000 78.960 > 67 73 Se 0.00000000000000 0.00000000000000 0.50000000000000 78.960 > 65 74 Se 0.50000000000000 0.00000000000000 0.50000000000000 78.960 > 65 75 Se 0.12500000000000 0.75000000000000 0.25000000000000 78.960 > 67 76 Se 0.62500000000000 0.75000000000000 0.25000000000000 78.960 > 67 77 Se 0.00000000000000 0.50000000000000 0.00000000000000 78.960 > 65 78 Se 0.50000000000000 0.50000000000000 0.00000000000000 78.960 > 65 79 Se 0.12500000000000 0.25000000000000 0.75000000000000 78.960 > 67 80 Se 0.62500000000000 0.25000000000000 0.75000000000000 78.960 > 67 81 Ag 0.00000000000000 0.79713332921902 0.00000000000000 107.868 > 81 82 Ag 0.50000000000000 0.79713332921902 0.00000000000000 107.868 > 81 83 Ag 0.25000000000000 0.70286667078098 0.00000000000000 107.868 > 83 84 Ag 0.75000000000000 0.70286667078098 0.00000000000000 107.868 > 83 85 Ag 0.12500000000000 0.95286667078098 0.75000000000000 107.868 > 85 86 Ag 0.62500000000000 0.95286667078098 0.75000000000000 107.868 > 85 87 Ag 0.12500000000000 0.54713332921902 0.75000000000000 107.868 > 87 88 Ag 0.62500000000000 0.54713332921902 0.75000000000000 107.868 > 87 89 Ag 0.00000000000000 0.29713332921902 0.50000000000000 107.868 > 81 90 Ag 0.50000000000000 0.29713332921902 0.50000000000000 107.868 > 81 91 Ag 0.25000000000000 0.20286667078098 0.50000000000000 107.868 > 83 92 Ag 0.75000000000000 0.20286667078098 0.50000000000000 107.868 > 83 93 Ag 0.12500000000000 0.45286667078098 0.25000000000000 107.868 > 85 94 Ag 0.62500000000000 0.45286667078098 0.25000000000000 107.868 > 85 95 Ag 0.12500000000000 0.04713332921902 0.25000000000000 107.868 > 87 96 Ag 0.62500000000000 0.04713332921902 0.25000000000000 107.868 > 87 97 Ag 0.25000000000000 0.79713332921902 0.50000000000000 107.868 > 81 98 Ag 0.75000000000000 0.79713332921902 0.50000000000000 107.868 > 81 99 Ag 0.00000000000000 0.70286667078098 0.50000000000000 107.868 > 83 100 Ag 0.50000000000000 0.70286667078098 0.50000000000000 107.868 > 83 101 Ag 0.37500000000000 0.95286667078098 0.25000000000000 107.868 > 85 102 Ag 0.87500000000000 0.95286667078098 0.25000000000000 107.868 > 85 103 Ag 0.37500000000000 0.54713332921902 0.25000000000000 107.868 > 87 104 Ag 0.87500000000000 0.54713332921902 0.25000000000000 107.868 > 87 105 Ag 0.25000000000000 0.29713332921902 0.00000000000000 107.868 > 81 106 Ag 0.75000000000000 0.29713332921902 0.00000000000000 107.868 > 81 107 Ag 0.00000000000000 0.20286667078098 0.00000000000000 107.868 > 83 108 Ag 0.50000000000000 0.20286667078098 0.00000000000000 107.868 > 83 109 Ag 0.37500000000000 0.45286667078098 0.75000000000000 107.868 > 85 110 Ag 0.87500000000000 0.45286667078098 0.75000000000000 107.868 > 85 111 Ag 0.37500000000000 0.04713332921902 0.75000000000000 107.868 > 87 112 Ag 0.87500000000000 0.04713332921902 0.75000000000000 107.868 > 87 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.3527122 0.0000000 0.0000000 0.0000000 5.2547977 0.0000000 0.0000000 0.0000000 5.0919994 -------------------------- Born effective charges -------------------------- 1 O -1.3347456 0.4986757 -0.3912210 0.4493369 -1.5831609 0.2056717 -0.5013710 0.4271042 -1.5260802 2 O -1.3347456 -0.4986757 0.3912210 -0.4493369 -1.5831609 0.2056717 0.5013710 0.4271042 -1.5260802 3 O -1.3347456 -0.4986757 -0.3912210 -0.4493369 -1.5831609 -0.2056717 -0.5013710 -0.4271042 -1.5260802 4 O -1.3347456 0.4986757 0.3912210 0.4493369 -1.5831609 -0.2056717 0.5013710 -0.4271042 -1.5260802 5 O -1.3347456 0.4986757 -0.3912210 0.4493369 -1.5831609 0.2056717 -0.5013710 0.4271042 -1.5260802 6 O -1.3347456 -0.4986757 0.3912210 -0.4493369 -1.5831609 0.2056717 0.5013710 0.4271042 -1.5260802 7 O -1.3347456 0.4986757 0.3912210 0.4493369 -1.5831609 -0.2056717 0.5013710 -0.4271042 -1.5260802 8 O -1.3347456 -0.4986757 -0.3912210 -0.4493369 -1.5831609 -0.2056717 -0.5013710 -0.4271042 -1.5260802 9 Se 2.8998656 0.0000000 0.0000000 0.0000000 3.5915969 0.0000000 0.0000000 0.0000000 3.1430617 10 Se 2.8998656 0.0000000 0.0000000 0.0000000 3.5915969 0.0000000 0.0000000 0.0000000 3.1430617 11 Ag 1.2195584 0.0000000 0.0710999 0.0000000 1.3705234 0.0000000 0.1564547 0.0000000 1.4806296 12 Ag 1.2195584 0.0000000 -0.0710999 0.0000000 1.3705234 0.0000000 -0.1564547 0.0000000 1.4806296 13 Ag 1.2195584 0.0000000 0.0710999 0.0000000 1.3705234 0.0000000 0.1564547 0.0000000 1.4806296 14 Ag 1.2195584 0.0000000 -0.0710999 0.0000000 1.3705234 0.0000000 -0.1564547 0.0000000 1.4806296 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (xzy) 0.00000002 (xzy) 0.00000002 (xyz) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 11 11 11 ] 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: 0.71, Number of G-points: 287, Lambda: 0.17 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/216) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.844 ( 0.000 0.000 -0.000) 0.000 1.040 ( 0.000 0.000 -0.000) 0.000 1.098 ( 0.000 0.000 0.000) 0.000 1.339 ( 0.000 0.000 -0.000) 0.000 1.624 ( 0.000 0.000 0.000) 0.000 1.839 ( 0.000 0.000 0.000) 0.000 1.866 ( 0.000 0.000 0.000) 0.000 2.174 ( 0.000 0.000 0.000) 0.000 2.308 ( 0.000 0.000 0.000) 0.000 2.436 ( 0.000 0.000 0.000) 0.000 2.582 ( 0.000 0.000 -0.000) 0.000 2.702 ( 0.000 0.000 0.000) 0.000 2.867 ( 0.000 0.000 0.000) 0.000 2.902 ( 0.000 0.000 0.000) 0.000 4.088 ( 0.000 0.000 -0.000) 0.000 4.356 ( 0.000 0.000 0.000) 0.000 5.290 ( 0.000 0.000 0.000) 0.000 5.808 ( 0.000 0.000 -0.000) 0.000 6.254 ( 0.000 0.000 0.000) 0.000 6.298 ( 0.000 0.000 0.000) 0.000 7.115 ( 0.000 0.000 0.000) 0.000 7.871 ( 0.000 0.000 0.000) 0.000 8.193 ( 0.000 0.000 0.000) 0.000 9.553 ( 0.000 0.000 -0.000) 0.000 9.756 ( 0.000 0.000 -0.000) 0.000 10.035 ( 0.000 0.000 -0.000) 0.000 10.676 ( 0.000 0.000 0.000) 0.000 10.814 ( 0.000 0.000 0.000) 0.000 11.242 ( 0.000 0.000 0.000) 0.000 11.362 ( 0.000 0.000 0.000) 0.000 11.384 ( 0.000 0.000 0.000) 0.000 22.012 ( 0.000 0.000 -0.000) 0.000 22.360 ( 0.000 0.000 0.000) 0.000 22.782 ( 0.000 0.000 0.000) 0.000 22.797 ( 0.000 0.000 0.000) 0.000 22.836 ( 0.000 0.000 0.000) 0.000 23.009 ( 0.000 0.000 0.000) 0.000 23.751 ( 0.000 0.000 -0.000) 0.000 23.848 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/216) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.269 ( -13.091 5.635 0.220) 14.254 0.303 ( -14.474 2.338 5.509) 15.662 0.698 ( -27.017 10.017 19.241) 34.648 1.104 ( -6.273 0.532 0.822) 6.349 1.131 ( -5.549 -5.645 6.749) 10.402 1.153 ( -9.553 -3.756 5.029) 11.431 1.389 ( -2.931 2.775 3.887) 5.604 1.637 ( 0.484 3.732 1.102) 3.921 1.815 ( 2.728 0.082 -0.061) 2.730 1.837 ( 2.095 -2.409 0.554) 3.240 2.182 ( -3.262 0.072 -5.076) 6.034 2.258 ( 5.057 -2.379 0.094) 5.589 2.514 ( 7.201 12.849 -2.155) 14.886 2.591 ( 6.494 7.869 4.644) 11.210 2.695 ( -3.177 -6.421 1.407) 7.301 2.887 ( -2.155 2.375 -2.221) 3.901 3.586 ( -15.632 -4.947 -23.909) 28.991 4.045 ( 4.841 0.499 -1.566) 5.113 4.357 ( 0.364 -0.218 1.012) 1.098 5.295 ( 1.954 1.196 -0.637) 2.378 5.852 ( 2.550 -1.009 3.625) 4.546 6.195 ( 4.327 -0.969 -5.718) 7.236 6.251 ( 5.842 2.672 -2.258) 6.809 7.087 ( -0.381 -0.016 -8.128) 8.137 7.866 ( 0.702 0.053 0.222) 0.738 8.182 ( 1.105 -0.338 -0.352) 1.208 9.601 ( -3.132 1.018 4.313) 5.427 9.934 ( -10.441 -10.454 -8.223) 16.909 10.039 ( -0.983 -0.660 -0.411) 1.253 10.765 ( 0.217 8.048 -5.204) 9.586 11.019 ( 17.396 20.559 19.927) 33.502 11.195 ( 1.431 -7.311 1.162) 7.540 11.349 ( 0.536 -0.909 -1.579) 1.900 11.406 ( 1.732 5.991 1.328) 6.377 22.018 ( -0.327 0.311 0.452) 0.638 22.333 ( 2.720 -0.523 -0.325) 2.788 22.784 ( 0.388 1.292 -2.691) 3.011 22.813 ( -1.604 0.142 -1.303) 2.072 23.003 ( 1.826 -0.046 2.338) 2.967 23.722 ( 2.603 -0.799 -1.703) 3.212 23.783 ( 2.446 -4.512 6.626) 8.381 23.904 ( 0.296 7.363 4.303) 8.534 ======================= Grid point 2 (3/216) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.501 ( -12.221 2.950 -1.139) 12.623 0.571 ( -10.760 4.558 5.327) 12.843 1.172 ( -8.069 1.842 4.225) 9.293 1.219 ( -10.798 -1.747 1.451) 11.034 1.236 ( -4.443 4.243 8.927) 10.837 1.451 ( -13.774 3.460 14.352) 20.190 1.496 ( -3.823 -3.283 6.785) 8.451 1.702 ( -1.758 6.920 1.961) 7.404 1.794 ( -0.003 3.580 2.152) 4.177 1.801 ( 0.265 -2.095 5.683) 6.063 2.141 ( 6.239 -2.368 2.489) 7.123 2.205 ( -4.225 1.102 -6.991) 8.243 2.452 ( 7.822 5.021 -1.294) 9.385 2.550 ( 4.501 0.015 1.231) 4.666 2.755 ( -5.608 -3.084 3.030) 7.081 2.943 ( -3.018 4.223 -0.005) 5.190 3.631 ( -8.221 -1.151 -10.065) 13.046 3.925 ( 8.648 0.912 -3.133) 9.243 4.355 ( 0.419 -0.573 1.234) 1.423 5.257 ( 1.915 -2.784 0.368) 3.399 5.775 ( 4.364 0.949 -12.612) 13.379 6.028 ( 7.704 -1.611 -10.236) 12.912 6.170 ( 5.705 4.151 1.272) 7.169 7.020 ( -1.284 -0.152 -13.181) 13.244 7.857 ( 1.129 0.565 0.633) 1.412 8.151 ( 1.766 -0.564 -0.658) 1.967 9.712 ( -4.127 1.351 6.066) 7.460 9.968 ( -6.752 -3.612 -4.288) 8.776 10.050 ( -1.928 -1.119 -0.619) 2.313 10.784 ( 0.224 2.388 -1.104) 2.640 11.035 ( 7.334 4.633 6.624) 10.915 11.145 ( 2.872 -0.888 7.431) 8.016 11.318 ( -0.152 -0.928 -2.776) 2.931 11.427 ( 3.389 5.710 2.215) 7.000 22.034 ( -0.751 0.518 0.831) 1.234 22.270 ( 4.052 -0.592 -0.291) 4.106 22.745 ( 1.793 -0.440 -4.982) 5.313 22.842 ( -4.112 0.841 -4.723) 6.318 22.986 ( 2.736 -1.048 4.626) 5.476 23.645 ( 2.820 -2.436 -2.679) 4.590 23.758 ( 2.875 -1.796 4.881) 5.943 24.006 ( -1.969 6.662 3.802) 7.919 ======================= Grid point 3 (4/216) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.696 ( -10.516 2.634 -0.725) 10.866 0.791 ( -7.052 5.174 5.031) 10.090 1.239 ( 3.175 -0.540 12.297) 12.712 1.322 ( -5.717 -1.452 0.026) 5.899 1.425 ( -2.515 1.933 -1.316) 3.434 1.488 ( -3.543 -7.042 -0.736) 7.917 1.666 ( -5.350 2.001 2.792) 6.358 1.792 ( -2.238 5.046 2.467) 6.046 1.859 ( 4.755 0.872 1.367) 5.024 1.909 ( -4.552 7.292 5.550) 10.232 2.194 ( -3.335 -1.190 4.442) 5.680 2.278 ( -8.318 5.135 8.228) 12.777 2.358 ( 4.932 2.522 2.541) 6.094 2.497 ( 1.237 -2.204 0.433) 2.564 2.812 ( -4.147 -4.444 -1.573) 6.279 3.067 ( -4.782 4.660 7.400) 9.967 3.674 ( -4.764 -0.292 -5.631) 7.382 3.755 ( 9.506 1.554 -4.555) 10.655 4.356 ( -0.678 -0.990 0.696) 1.387 5.199 ( 2.163 -4.358 0.894) 4.947 5.548 ( 10.374 2.587 -19.407) 22.157 5.798 ( 8.365 -1.865 -12.414) 15.085 6.166 ( 1.952 3.718 3.898) 5.730 6.944 ( -1.994 -0.342 -14.232) 14.375 7.849 ( 1.326 1.044 0.877) 1.902 8.111 ( 1.816 -0.640 -0.860) 2.109 9.813 ( -2.704 0.397 3.563) 4.491 10.019 ( -3.520 -1.189 -1.206) 3.906 10.090 ( -5.214 -0.050 -0.014) 5.214 10.767 ( 2.120 0.490 -2.384) 3.228 10.978 ( 3.463 -3.681 3.870) 6.365 11.163 ( 3.858 2.513 6.434) 7.912 11.319 ( -1.873 1.161 -0.887) 2.376 11.425 ( 3.971 4.204 2.877) 6.459 22.061 ( -1.201 0.463 0.986) 1.621 22.202 ( 3.757 -0.059 0.239) 3.765 22.641 ( 4.580 -1.882 -6.694) 8.326 22.884 ( -5.207 1.678 -7.241) 9.075 22.972 ( 2.144 -2.612 6.416) 7.252 23.570 ( 2.003 -1.627 -2.230) 3.411 23.730 ( 3.646 -0.448 4.283) 5.642 24.118 ( -2.595 5.313 3.199) 6.723 ======================= Grid point 4 (5/216) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( -6.450 4.206 1.827) 7.914 0.948 ( -5.145 2.680 3.322) 6.685 1.231 ( 5.226 -1.937 4.300) 7.040 1.349 ( -0.378 -2.283 1.051) 2.541 1.440 ( -3.630 -0.714 0.465) 3.729 1.496 ( -3.171 -4.207 -1.347) 5.438 1.744 ( 5.214 0.783 -0.919) 5.352 1.782 ( 0.301 2.921 0.740) 3.028 1.885 ( -2.200 3.934 3.019) 5.425 2.061 ( -2.028 2.084 5.851) 6.534 2.200 ( -1.504 1.104 -2.030) 2.757 2.350 ( -1.446 7.329 -2.266) 7.807 2.440 ( 0.368 -1.142 1.270) 1.747 2.607 ( -6.826 0.297 8.017) 10.534 2.805 ( -1.334 -6.602 3.833) 7.749 3.264 ( -6.474 3.535 11.479) 13.645 3.594 ( 6.561 2.377 -4.553) 8.332 3.711 ( -2.834 -0.161 -3.384) 4.417 4.382 ( -3.611 -1.394 0.822) 3.957 5.136 ( 2.274 -3.462 -0.366) 4.158 5.247 ( 12.376 2.784 -16.506) 20.818 5.579 ( 6.090 -1.514 -10.799) 12.490 6.202 ( 0.564 2.594 3.623) 4.491 6.877 ( -1.789 -0.467 -11.327) 11.477 7.844 ( 1.156 0.996 0.757) 1.704 8.074 ( 1.331 -0.541 -0.798) 1.644 9.857 ( -1.295 -0.274 0.623) 1.463 10.036 ( -1.139 -1.092 -0.435) 1.637 10.209 ( -6.544 1.947 2.203) 7.174 10.691 ( 4.011 -1.226 -3.518) 5.475 10.940 ( 1.501 -2.693 3.341) 4.546 11.153 ( 2.389 0.587 2.247) 3.332 11.362 ( -1.062 1.887 0.449) 2.211 11.420 ( 2.539 2.528 3.262) 4.845 22.084 ( -0.513 -0.267 0.265) 0.636 22.170 ( 1.121 1.374 1.897) 2.596 22.488 ( 5.748 -2.808 -6.551) 9.156 22.924 ( -4.884 2.668 -9.127) 10.690 22.968 ( 1.610 -3.772 7.895) 8.897 23.525 ( 1.080 -0.424 -1.259) 1.712 23.700 ( 3.206 0.020 3.090) 4.452 24.211 ( -1.999 3.426 2.151) 4.512 ======================= Grid point 5 (6/216) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( -0.433 3.886 3.105) 4.993 1.056 ( -5.666 -1.026 0.953) 5.837 1.140 ( 3.977 -1.552 -1.981) 4.706 1.356 ( 0.258 -0.175 1.626) 1.656 1.464 ( -2.056 -1.127 -1.934) 3.040 1.542 ( -2.932 -1.835 2.202) 4.100 1.664 ( 3.277 1.067 -0.257) 3.455 1.762 ( 3.148 1.026 -0.589) 3.363 1.947 ( -0.075 2.122 1.324) 2.502 2.139 ( -4.066 -2.202 5.241) 6.989 2.219 ( 1.265 2.772 -2.936) 4.231 2.374 ( 0.567 1.403 -1.918) 2.444 2.498 ( -3.312 4.440 2.700) 6.162 2.613 ( 0.795 -4.858 -5.257) 7.202 2.846 ( -0.568 -1.722 6.582) 6.827 3.446 ( -3.859 0.458 7.361) 8.324 3.520 ( 2.419 2.458 -2.553) 4.291 3.722 ( -1.036 -0.276 -1.321) 1.701 4.459 ( -4.710 -1.158 2.188) 5.320 4.967 ( 7.577 1.839 -10.446) 13.035 5.112 ( 1.539 -1.448 1.605) 2.654 5.445 ( 2.138 -0.598 -4.627) 5.132 6.232 ( 0.147 0.966 1.583) 1.860 6.835 ( -0.714 -0.247 -4.449) 4.513 7.840 ( 0.472 0.407 0.301) 0.692 8.052 ( 0.486 -0.220 -0.336) 0.631 9.869 ( -0.391 -0.160 -0.065) 0.428 10.039 ( -0.335 -0.443 -0.146) 0.574 10.331 ( -3.970 1.609 1.965) 4.713 10.592 ( 3.206 -1.359 -2.329) 4.189 10.928 ( 0.423 -0.871 1.243) 1.575 11.140 ( 0.765 0.090 0.527) 0.933 11.378 ( 0.249 0.720 0.197) 0.787 11.433 ( 0.308 0.845 1.437) 1.695 22.079 ( 0.331 -0.264 -0.125) 0.442 22.219 ( -2.310 2.171 3.442) 4.679 22.338 ( 4.481 -2.652 -4.985) 7.209 22.946 ( -1.975 1.661 -4.962) 5.593 22.972 ( 0.583 -2.154 4.369) 4.906 23.507 ( 0.337 0.020 -0.394) 0.518 23.679 ( 1.305 0.043 1.149) 1.740 24.263 ( -0.735 1.182 0.758) 1.585 ======================= Grid point 12 (7/216) ======================= q-point: ( 0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.104 ( 0.000 0.000 7.305) 7.305 0.210 ( 0.000 0.000 11.098) 11.098 0.703 ( 0.000 0.000 47.937) 47.937 0.966 ( 0.000 0.000 15.746) 15.746 1.053 ( 0.000 0.000 1.807) 1.807 1.249 ( 0.000 0.000 18.936) 18.936 1.357 ( 0.000 0.000 3.204) 3.204 1.641 ( 0.000 0.000 2.423) 2.423 1.842 ( 0.000 0.000 0.472) 0.472 1.872 ( 0.000 0.000 1.024) 1.024 2.088 ( -0.000 -0.000 -9.541) 9.541 2.335 ( 0.000 0.000 0.410) 0.410 2.521 ( 0.000 0.000 9.299) 9.299 2.668 ( -0.000 -0.000 -3.524) 3.524 2.686 ( -0.000 -0.000 -14.028) 14.028 2.714 ( 0.000 0.000 1.735) 1.735 3.061 ( 0.000 0.000 10.911) 10.911 4.062 ( -0.000 -0.000 -3.590) 3.590 4.367 ( 0.000 0.000 1.425) 1.425 5.305 ( 0.000 0.000 1.990) 1.990 5.996 ( -0.000 -0.000 -13.011) 13.011 6.169 ( -0.000 -0.000 -11.708) 11.708 6.258 ( -0.000 -0.000 -5.441) 5.441 6.990 ( -0.000 -0.000 -16.877) 16.877 7.879 ( 0.000 0.000 1.075) 1.075 8.188 ( -0.000 -0.000 -0.736) 0.736 9.621 ( 0.000 0.000 9.028) 9.028 9.748 ( -0.000 -0.000 -1.008) 1.008 10.024 ( -0.000 -0.000 -1.518) 1.518 10.729 ( 0.000 0.000 6.941) 6.941 11.244 ( -0.000 -0.000 -0.140) 0.140 11.334 ( 0.000 0.000 0.996) 0.996 11.352 ( -0.000 -0.000 -1.164) 1.164 11.396 ( 0.000 0.000 1.541) 1.541 22.019 ( 0.000 0.000 0.923) 0.923 22.354 ( -0.000 -0.000 -0.793) 0.793 22.752 ( -0.000 -0.000 -3.501) 3.501 22.823 ( -0.000 -0.000 -1.745) 1.745 23.047 ( 0.000 0.000 4.655) 4.655 23.740 ( -0.000 -0.000 -1.539) 1.539 23.850 ( 0.000 0.000 0.292) 0.292 24.030 ( -0.000 -0.000 -0.957) 0.957 ======================= Grid point 13 (8/216) ======================= q-point: ( 0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.310 ( -11.352 3.792 4.630) 12.833 0.458 ( -12.670 1.466 11.482) 17.161 0.976 ( -3.308 3.688 16.470) 17.200 1.125 ( -5.132 0.602 2.396) 5.696 1.326 ( -12.965 3.537 20.565) 24.566 1.391 ( 0.849 -0.524 21.759) 21.782 1.493 ( -8.896 -2.577 12.961) 15.930 1.672 ( 0.611 4.139 3.924) 5.736 1.814 ( 3.071 0.605 0.044) 3.131 1.865 ( 0.234 -2.478 4.590) 5.221 2.069 ( -3.238 3.447 -8.593) 9.809 2.262 ( 5.210 -2.281 0.459) 5.706 2.527 ( 4.284 -0.386 2.586) 5.018 2.618 ( 4.773 6.663 -0.706) 8.227 2.690 ( -7.078 -8.169 -6.593) 12.661 2.838 ( -4.455 9.148 0.178) 10.177 3.330 ( -16.809 2.950 -6.760) 18.356 3.995 ( 4.720 0.805 -5.265) 7.116 4.378 ( 0.375 -0.116 1.999) 2.037 5.303 ( 0.845 -2.603 1.469) 3.106 5.782 ( 8.079 -0.046 -13.620) 15.836 6.031 ( 3.922 -0.438 -16.642) 17.103 6.199 ( 2.467 1.762 -5.247) 6.060 6.861 ( -1.967 0.325 -22.490) 22.578 7.878 ( 1.311 0.645 1.412) 2.032 8.171 ( 1.105 -0.258 -1.080) 1.566 9.715 ( -1.883 0.647 10.298) 10.489 9.833 ( -8.511 -1.423 -3.776) 9.419 10.020 ( -0.960 0.250 -2.072) 2.297 10.791 ( 0.021 0.316 6.478) 6.485 11.197 ( 4.702 -4.420 3.207) 7.206 11.251 ( 7.918 6.661 7.211) 12.612 11.313 ( 0.882 -3.031 -2.774) 4.202 11.435 ( 1.680 6.509 2.333) 7.116 22.031 ( -0.307 0.269 1.340) 1.401 22.324 ( 2.469 -0.504 -0.950) 2.693 22.726 ( 0.376 0.760 -4.535) 4.614 22.784 ( 1.297 0.125 -2.617) 2.923 23.064 ( 1.125 -1.960 5.533) 5.977 23.692 ( 2.935 -1.829 -2.716) 4.398 23.841 ( 1.788 -0.650 2.137) 2.862 23.986 ( 1.368 2.659 4.312) 5.247 ======================= Grid point 14 (9/216) ======================= q-point: ( 0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( -10.466 1.707 5.348) 11.877 0.722 ( -6.759 1.665 14.638) 16.209 1.173 ( -5.890 8.634 0.166) 10.453 1.245 ( -10.286 -2.376 2.329) 10.811 1.484 ( 5.759 -1.325 19.760) 20.625 1.562 ( -0.146 -3.246 5.903) 6.738 1.632 ( -3.428 -1.048 6.605) 7.515 1.722 ( -1.117 5.163 1.467) 5.482 1.827 ( -0.840 5.247 3.299) 6.254 1.970 ( 0.875 -1.245 8.649) 8.782 2.110 ( -2.931 4.181 -3.602) 6.248 2.255 ( -6.485 -0.547 17.599) 18.764 2.460 ( 6.137 0.618 2.605) 6.696 2.549 ( 4.023 -0.952 -1.135) 4.287 2.717 ( -8.159 -4.027 -7.781) 11.972 3.003 ( -5.106 5.819 7.913) 11.070 3.503 ( -9.761 1.819 -6.516) 11.876 3.852 ( 8.457 1.044 -6.965) 11.006 4.376 ( 1.073 -0.694 1.622) 2.065 5.255 ( 1.084 -5.219 -1.849) 5.642 5.551 ( 9.263 3.155 -16.576) 19.249 5.817 ( 5.862 -0.578 -17.793) 18.743 6.158 ( 0.544 2.569 -3.616) 4.469 6.747 ( -4.697 0.514 -24.098) 24.556 7.872 ( 1.594 1.094 1.578) 2.495 8.136 ( 1.781 -0.326 -1.304) 2.231 9.803 ( -2.352 -0.612 3.474) 4.240 9.945 ( -6.178 0.182 4.177) 7.460 10.029 ( -2.105 0.430 -1.949) 2.901 10.808 ( 1.961 -1.715 3.855) 4.653 11.113 ( 4.294 -5.468 4.776) 8.435 11.242 ( 2.827 -1.338 -0.830) 3.235 11.284 ( 1.135 5.584 3.445) 6.659 11.465 ( 3.306 6.033 2.881) 7.458 22.052 ( -0.676 0.407 1.638) 1.818 22.264 ( 3.541 -0.532 -0.536) 3.621 22.669 ( 3.109 -0.091 -5.131) 6.000 22.763 ( -1.824 0.957 -5.656) 6.020 23.064 ( 1.309 -3.029 5.679) 6.568 23.603 ( 2.788 -2.090 -3.152) 4.698 23.822 ( 2.917 -0.351 3.953) 4.925 24.059 ( -2.360 4.567 2.874) 5.889 ======================= Grid point 15 (10/216) ======================= q-point: ( 0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.748 ( -8.262 1.994 6.504) 10.702 0.913 ( -1.974 4.231 12.357) 13.210 1.287 ( -6.316 1.062 -2.048) 6.724 1.388 ( 0.092 -1.575 1.267) 2.024 1.447 ( 2.217 -4.772 3.928) 6.567 1.531 ( 3.290 -3.303 10.443) 11.437 1.703 ( -2.900 1.560 2.340) 4.039 1.828 ( -2.389 4.166 2.973) 5.648 1.881 ( 5.651 1.222 1.372) 5.942 2.003 ( -3.621 7.843 7.201) 11.246 2.136 ( -1.649 3.061 -4.832) 5.953 2.371 ( 6.554 1.466 5.513) 8.689 2.464 ( 0.937 -1.175 -0.120) 1.508 2.566 ( -5.355 -1.603 5.161) 7.608 2.814 ( -9.485 -4.138 9.691) 14.178 3.204 ( -6.418 4.924 10.370) 13.152 3.596 ( -5.975 0.710 -5.016) 7.833 3.664 ( 8.402 1.803 -7.976) 11.724 4.368 ( -0.496 -1.272 1.213) 1.826 5.147 ( 1.782 -4.562 -12.001) 12.962 5.316 ( 10.375 2.637 -9.484) 14.302 5.611 ( 5.244 -0.874 -11.109) 12.316 6.164 ( -2.176 1.779 -4.439) 5.254 6.679 ( -6.851 1.639 -21.663) 22.779 7.866 ( 1.682 1.018 1.495) 2.470 8.095 ( 1.853 -0.108 -1.264) 2.246 9.840 ( -1.923 -0.873 -0.047) 2.112 10.016 ( -1.456 -0.290 -0.716) 1.648 10.125 ( -5.624 2.166 6.767) 9.062 10.760 ( 4.004 -2.443 1.228) 4.848 11.043 ( 3.122 -5.815 4.687) 8.095 11.180 ( 1.216 -1.223 -3.845) 4.214 11.344 ( 0.828 4.919 3.807) 6.275 11.473 ( 3.871 4.532 3.497) 6.910 22.080 ( -0.873 0.107 1.628) 1.851 22.208 ( 2.920 0.246 0.523) 2.976 22.552 ( 5.534 -1.638 -5.535) 7.996 22.769 ( -3.460 2.170 -8.030) 9.009 23.062 ( 0.357 -4.089 5.719) 7.040 23.537 ( 1.960 0.046 -2.433) 3.125 23.795 ( 3.762 -0.972 4.658) 6.066 24.155 ( -2.960 3.879 1.509) 5.108 ======================= Grid point 16 (11/216) ======================= q-point: ( 0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( -5.523 4.085 6.571) 9.507 1.022 ( 1.658 4.055 7.342) 8.549 1.247 ( 6.851 -5.980 -0.553) 9.111 1.383 ( -6.857 -1.907 -0.726) 7.154 1.441 ( 0.596 -3.430 2.695) 4.402 1.541 ( 1.237 -1.019 6.715) 6.903 1.739 ( 4.622 1.730 0.194) 4.939 1.805 ( 2.944 0.901 2.492) 3.961 1.934 ( -0.770 4.049 3.355) 5.315 2.117 ( -1.956 2.221 0.535) 3.007 2.179 ( -2.248 3.233 -0.300) 3.949 2.365 ( 2.411 3.642 4.612) 6.352 2.450 ( -1.251 0.901 0.828) 1.750 2.584 ( -2.800 -3.078 -6.224) 7.487 2.945 ( 1.113 -4.212 9.415) 10.374 3.411 ( -4.662 3.860 7.063) 9.301 3.524 ( 3.376 1.785 -4.239) 5.706 3.660 ( -4.254 1.034 -3.407) 5.547 4.418 ( -4.707 -1.187 5.057) 7.010 4.976 ( 3.540 -0.640 -12.622) 13.125 5.136 ( 5.363 -1.072 -8.130) 9.799 5.498 ( 3.313 -1.327 1.362) 3.820 6.174 ( -3.862 -0.583 -8.110) 9.002 6.685 ( -7.563 3.582 -14.263) 16.537 7.856 ( 1.360 0.319 0.981) 1.707 8.062 ( 1.386 0.401 -0.799) 1.649 9.857 ( -1.219 -0.412 -0.324) 1.327 10.024 ( -0.929 0.136 -1.523) 1.789 10.280 ( -4.382 2.246 7.732) 9.167 10.670 ( 4.929 -2.713 0.471) 5.646 10.987 ( 2.159 -4.617 2.950) 5.889 11.132 ( 0.014 -0.632 -4.589) 4.633 11.378 ( 1.228 2.750 1.318) 3.288 11.472 ( 3.294 2.897 3.608) 5.680 22.092 ( 0.264 -0.852 0.808) 1.204 22.203 ( -0.209 2.007 2.682) 3.356 22.404 ( 5.734 -2.375 -4.966) 7.949 22.788 ( -3.995 3.176 -9.455) 10.744 23.070 ( -0.190 -4.342 6.045) 7.445 23.504 ( 1.561 2.238 -1.571) 3.149 23.756 ( 3.608 -2.357 4.503) 6.233 24.228 ( -2.275 2.174 0.064) 3.148 ======================= Grid point 17 (12/216) ======================= q-point: ( 0.55 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( 4.576 0.484 0.561) 4.636 1.086 ( -4.427 0.775 3.059) 5.437 1.130 ( 5.116 1.201 1.475) 5.458 1.411 ( 0.171 -2.960 0.221) 2.973 1.468 ( -1.577 -1.527 7.132) 7.462 1.571 ( -0.458 -0.652 1.559) 1.751 1.654 ( 4.968 2.303 -0.841) 5.540 1.771 ( 2.463 -1.086 1.745) 3.207 1.956 ( 0.952 0.266 -0.331) 1.043 2.143 ( 2.886 3.138 -4.039) 5.872 2.223 ( -3.278 -1.146 3.189) 4.715 2.379 ( -0.127 0.882 1.575) 1.810 2.525 ( -1.741 -0.074 -1.656) 2.404 2.580 ( -2.252 2.236 4.310) 5.353 2.870 ( 6.461 -1.766 -2.992) 7.336 3.437 ( 3.186 2.339 -7.866) 8.803 3.519 ( -2.241 -2.179 1.552) 3.490 3.709 ( -1.784 2.236 -0.389) 2.887 4.507 ( 1.398 0.853 3.758) 4.100 4.941 ( -6.369 -2.190 7.069) 9.763 5.025 ( -1.250 -0.415 -10.389) 10.472 5.495 ( 0.730 -1.222 8.803) 8.918 6.157 ( -4.827 -2.517 -11.704) 12.908 6.764 ( -6.666 4.563 -5.009) 9.505 7.844 ( 0.528 -0.592 0.278) 0.841 8.049 ( 0.563 0.933 -0.077) 1.093 9.868 ( -0.439 0.030 0.080) 0.447 10.029 ( -0.427 0.941 -1.260) 1.630 10.383 ( 0.393 0.442 4.773) 4.810 10.599 ( 1.753 -1.178 3.228) 3.858 10.942 ( 1.305 -2.944 0.617) 3.278 11.102 ( -1.293 -0.414 -5.351) 5.521 11.377 ( 0.862 0.812 -0.268) 1.214 11.461 ( 2.958 1.216 2.079) 3.814 22.083 ( 0.291 -0.715 0.696) 1.040 22.254 ( 2.202 0.200 -1.137) 2.486 22.299 ( -1.136 0.524 2.008) 2.366 22.809 ( -3.876 3.914 -9.906) 11.334 23.080 ( 0.761 -3.778 6.615) 7.656 23.497 ( 1.265 3.537 -0.966) 3.879 23.712 ( 2.095 -3.833 3.280) 5.463 24.259 ( -0.988 -0.062 -1.279) 1.618 ======================= Grid point 18 (13/216) ======================= q-point: (-0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( 2.139 -1.046 -2.480) 3.438 1.045 ( 6.297 0.384 -0.718) 6.349 1.169 ( -0.980 0.235 2.008) 2.247 1.370 ( 2.442 -1.136 0.108) 2.695 1.509 ( 4.232 1.687 6.500) 7.937 1.533 ( 4.067 2.568 1.346) 4.995 1.663 ( -4.773 -1.434 -0.138) 4.986 1.778 ( -3.358 -2.189 1.119) 4.162 1.929 ( 1.161 -1.851 -0.784) 2.321 2.054 ( 4.876 2.494 -5.882) 8.037 2.261 ( 0.330 -2.794 2.975) 4.094 2.415 ( -1.169 0.976 1.473) 2.119 2.465 ( 2.650 -5.473 -0.553) 6.106 2.678 ( 7.977 -1.693 -6.043) 10.150 2.725 ( -2.070 6.345 0.694) 6.710 3.290 ( 5.523 -0.572 -12.689) 13.850 3.558 ( -3.918 -2.898 2.382) 5.424 3.742 ( 0.239 2.015 1.289) 2.404 4.447 ( 6.024 0.886 0.187) 6.091 5.021 ( -4.651 3.291 -7.575) 9.478 5.203 ( -13.585 -3.990 20.191) 24.660 5.578 ( -3.175 -0.461 10.503) 10.982 6.123 ( -5.040 -3.234 -12.756) 14.091 6.882 ( -4.849 3.923 1.931) 6.529 7.836 ( -0.418 -1.197 -0.214) 1.286 8.058 ( -0.401 1.156 0.436) 1.299 9.869 ( 0.621 0.062 -0.043) 0.626 10.035 ( 0.205 1.847 -0.503) 1.925 10.325 ( 6.558 -1.906 0.781) 6.874 10.663 ( -3.115 1.025 7.172) 7.886 10.908 ( 0.406 -1.110 -1.349) 1.794 11.086 ( -2.608 -0.835 -6.487) 7.042 11.369 ( -0.580 -0.794 -0.985) 1.392 11.426 ( 2.937 -0.215 0.308) 2.961 22.087 ( -0.333 -0.179 0.936) 1.009 22.174 ( 2.155 -1.531 -2.767) 3.827 22.422 ( -5.359 3.145 6.560) 9.036 22.830 ( -3.422 4.138 -9.563) 10.967 23.074 ( 2.942 -2.812 6.937) 8.043 23.507 ( 0.678 4.101 -0.353) 4.171 23.679 ( -0.400 -4.572 1.046) 4.707 24.240 ( 0.459 -2.503 -2.228) 3.382 ======================= Grid point 19 (14/216) ======================= q-point: (-0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( 5.401 -0.203 1.572) 5.629 0.915 ( 7.566 -2.815 -1.458) 8.203 1.143 ( 0.217 -2.271 -5.816) 6.248 1.373 ( -1.096 2.741 2.093) 3.618 1.448 ( 7.993 1.894 3.005) 8.746 1.536 ( 2.113 3.784 2.776) 5.147 1.758 ( -5.830 -0.952 1.010) 5.993 1.783 ( 3.282 -3.718 0.759) 5.017 1.854 ( 3.368 -1.559 -1.326) 3.942 1.977 ( 1.187 -2.476 -5.371) 6.032 2.229 ( 3.540 -2.633 1.212) 4.576 2.336 ( 4.658 -3.030 -7.746) 9.533 2.407 ( 7.370 -4.580 -5.888) 10.486 2.478 ( -0.159 0.200 1.853) 1.871 2.816 ( 0.170 3.631 1.201) 3.829 3.116 ( 4.625 -1.672 -7.967) 9.362 3.646 ( -7.822 -2.367 2.521) 8.553 3.753 ( 1.834 1.653 2.307) 3.379 4.377 ( 3.264 0.472 -0.184) 3.303 5.094 ( -4.335 5.358 -3.150) 7.578 5.536 ( -12.817 -3.900 20.483) 24.475 5.735 ( -7.042 0.899 9.174) 11.600 6.084 ( -5.039 -3.630 -12.265) 13.748 6.998 ( -2.798 2.487 5.346) 6.526 7.835 ( -0.981 -1.261 -0.388) 1.644 8.084 ( -1.249 1.067 0.523) 1.724 9.841 ( 2.304 -0.505 -1.188) 2.641 10.044 ( 0.995 2.342 0.557) 2.605 10.200 ( 7.575 -0.936 0.397) 7.643 10.770 ( -2.684 -0.525 6.868) 7.392 10.899 ( -1.049 1.522 -1.734) 2.535 11.072 ( -3.593 -2.351 -8.121) 9.186 11.366 ( 1.052 -1.017 0.474) 1.538 11.382 ( -0.897 -2.018 -1.729) 2.805 22.083 ( 1.618 -0.265 0.041) 1.640 22.149 ( -2.438 -0.727 -1.017) 2.740 22.592 ( -5.717 3.090 7.866) 10.204 22.846 ( -3.090 3.589 -8.817) 10.008 23.039 ( 4.928 -2.053 6.124) 8.124 23.539 ( -0.296 4.530 0.603) 4.579 23.668 ( -2.631 -4.010 -1.394) 4.994 24.174 ( 1.707 -4.835 -2.484) 5.697 ======================= Grid point 20 (15/216) ======================= q-point: (-0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.733 ( 9.785 -5.035 0.071) 11.005 0.767 ( 10.237 -1.514 2.915) 10.751 1.092 ( -0.919 -0.037 -5.959) 6.030 1.343 ( 8.500 1.352 1.966) 8.829 1.444 ( -1.808 1.222 0.810) 2.328 1.496 ( 10.416 3.827 -0.290) 11.101 1.627 ( 11.506 -3.824 -2.174) 12.318 1.748 ( 0.550 -0.645 -2.969) 3.088 1.842 ( 2.276 -4.971 -1.433) 5.652 1.858 ( 9.933 -8.806 -0.798) 13.298 2.008 ( -2.890 -0.704 -8.501) 9.007 2.309 ( 3.771 1.406 2.931) 4.979 2.359 ( -8.201 -3.726 0.295) 9.013 2.505 ( -0.919 -0.154 1.363) 1.651 2.786 ( 2.998 -0.379 -3.459) 4.593 3.014 ( 3.324 -1.333 -0.746) 3.658 3.743 ( 3.178 2.205 3.053) 4.928 3.796 ( -9.995 -1.338 1.202) 10.155 4.347 ( 0.854 0.399 -0.400) 1.024 5.183 ( -3.213 4.633 -0.770) 5.691 5.813 ( -6.589 -1.723 16.033) 17.419 5.924 ( -8.547 1.957 3.621) 9.486 6.063 ( -8.079 -5.167 -8.980) 13.138 7.082 ( -1.143 1.159 4.793) 5.062 7.841 ( -1.068 -0.775 -0.284) 1.350 8.119 ( -1.761 0.864 0.310) 1.986 9.767 ( 4.458 -1.439 -1.922) 5.064 10.047 ( 2.145 2.294 1.765) 3.602 10.091 ( 6.431 1.832 -0.199) 6.690 10.816 ( -0.728 -2.558 2.980) 3.995 10.954 ( -3.929 -0.489 1.743) 4.326 11.042 ( -3.183 -1.992 -8.769) 9.539 11.338 ( 1.463 0.371 0.884) 1.749 11.395 ( -3.864 -4.149 -1.195) 5.794 22.051 ( 1.401 -0.587 -0.333) 1.555 22.200 ( -4.135 0.219 -0.054) 4.141 22.741 ( -2.584 2.303 6.653) 7.500 22.864 ( -3.653 2.289 -6.559) 7.848 22.978 ( 4.755 -1.868 3.456) 6.168 23.600 ( -1.273 5.329 1.746) 5.750 23.676 ( -3.581 -2.578 -2.853) 5.254 24.078 ( 2.371 -6.749 -1.808) 7.379 ======================= Grid point 21 (16/216) ======================= q-point: (-0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.518 ( 11.141 -6.873 -0.000) 13.090 0.563 ( 15.163 -1.753 0.000) 15.264 1.088 ( -0.432 1.443 0.000) 1.506 1.185 ( 27.045 -9.947 0.000) 28.816 1.223 ( 8.525 0.906 0.000) 8.573 1.316 ( 16.037 4.988 0.000) 16.795 1.449 ( 1.525 -4.235 -0.000) 4.501 1.683 ( 1.951 -6.956 -0.000) 7.224 1.773 ( -2.683 2.380 0.000) 3.587 1.783 ( -1.272 -2.282 -0.000) 2.613 2.126 ( -8.023 2.647 -0.000) 8.448 2.263 ( 4.823 1.645 0.000) 5.096 2.478 ( -11.766 -10.435 -0.000) 15.727 2.528 ( -1.784 0.124 -0.000) 1.788 2.713 ( 3.958 1.218 0.000) 4.141 2.952 ( 3.183 -1.464 0.000) 3.503 3.722 ( 4.500 4.486 0.000) 6.353 3.946 ( -8.639 -0.713 -0.000) 8.668 4.345 ( -0.260 0.246 0.000) 0.358 5.254 ( -2.695 2.069 0.000) 3.398 5.875 ( 2.559 -0.123 0.000) 2.562 6.096 ( -9.327 0.971 -0.000) 9.377 6.157 ( -10.056 -4.551 -0.000) 11.038 7.117 ( -0.114 0.394 0.000) 0.410 7.852 ( -0.925 -0.094 -0.000) 0.930 8.155 ( -1.751 0.637 -0.000) 1.863 9.666 ( 5.113 -1.670 0.000) 5.379 10.012 ( 6.874 6.288 0.000) 9.316 10.048 ( 1.405 1.645 0.000) 2.164 10.819 ( -0.358 -1.462 -0.000) 1.505 10.950 ( -7.284 -19.523 -0.000) 20.838 11.091 ( -1.970 9.161 0.000) 9.370 11.340 ( -0.197 1.030 0.000) 1.048 11.409 ( -3.338 -5.701 -0.000) 6.606 22.028 ( 0.788 -0.533 -0.000) 0.951 22.272 ( -4.211 0.621 -0.000) 4.257 22.791 ( 0.027 0.995 0.000) 0.996 22.873 ( 3.473 0.548 0.000) 3.516 22.952 ( -3.370 -1.377 -0.000) 3.641 23.682 ( -0.934 7.043 0.000) 7.105 23.699 ( -3.742 -2.353 -0.000) 4.421 23.974 ( 1.996 -7.915 -0.000) 8.163 ======================= Grid point 24 (17/216) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.212 ( 0.000 0.000 7.528) 7.528 0.324 ( 0.000 0.000 5.577) 5.577 1.090 ( 0.000 0.000 3.215) 3.215 1.191 ( 0.000 0.000 9.921) 9.921 1.359 ( 0.000 0.000 40.376) 40.376 1.502 ( 0.000 0.000 20.674) 20.674 1.551 ( 0.000 0.000 18.013) 18.013 1.707 ( 0.000 0.000 7.473) 7.473 1.869 ( 0.000 0.000 5.264) 5.264 1.916 ( 0.000 0.000 7.166) 7.166 1.940 ( -0.000 -0.000 -10.188) 10.188 2.344 ( 0.000 0.000 0.974) 0.974 2.480 ( -0.000 -0.000 -14.388) 14.388 2.595 ( -0.000 -0.000 -6.229) 6.229 2.667 ( 0.000 0.000 10.502) 10.502 2.760 ( 0.000 0.000 5.274) 5.274 3.195 ( 0.000 0.000 7.349) 7.349 3.984 ( -0.000 -0.000 -7.088) 7.088 4.399 ( 0.000 0.000 3.190) 3.190 5.344 ( 0.000 0.000 3.251) 3.251 5.732 ( -0.000 -0.000 -22.769) 22.769 5.923 ( -0.000 -0.000 -21.990) 21.990 6.149 ( -0.000 -0.000 -9.217) 9.217 6.650 ( -0.000 -0.000 -29.128) 29.128 7.901 ( 0.000 0.000 1.938) 1.938 8.172 ( -0.000 -0.000 -1.501) 1.501 9.732 ( -0.000 -0.000 -0.956) 0.956 9.800 ( 0.000 0.000 15.184) 15.184 9.993 ( -0.000 -0.000 -2.705) 2.705 10.861 ( 0.000 0.000 10.766) 10.766 11.218 ( -0.000 -0.000 -4.063) 4.063 11.346 ( 0.000 0.000 0.766) 0.766 11.354 ( 0.000 0.000 1.680) 1.680 11.423 ( 0.000 0.000 1.875) 1.875 22.039 ( 0.000 0.000 1.837) 1.837 22.336 ( -0.000 -0.000 -1.608) 1.608 22.697 ( -0.000 -0.000 -3.765) 3.765 22.787 ( -0.000 -0.000 -3.065) 3.065 23.128 ( 0.000 0.000 6.229) 6.229 23.707 ( -0.000 -0.000 -2.984) 2.984 23.856 ( 0.000 0.000 0.568) 0.568 24.010 ( -0.000 -0.000 -1.694) 1.694 ======================= Grid point 25 (18/216) ======================= q-point: ( 0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.390 ( -10.602 2.574 6.186) 12.542 0.574 ( -17.857 4.501 5.253) 19.151 1.156 ( -5.125 -1.786 4.793) 7.241 1.192 ( 5.872 3.860 8.144) 10.757 1.595 ( -2.114 2.637 19.395) 19.687 1.658 ( -1.312 -0.617 10.605) 10.704 1.701 ( 0.130 -6.066 8.534) 10.471 1.760 ( 3.591 2.220 8.367) 9.372 1.828 ( 3.323 3.780 2.626) 5.677 1.979 ( -3.080 0.029 3.090) 4.363 2.088 ( -5.086 1.330 20.252) 20.923 2.294 ( -1.210 -0.418 8.487) 8.583 2.505 ( -9.342 -1.803 -13.075) 16.170 2.530 ( 0.333 -1.568 -3.181) 3.562 2.656 ( 8.616 2.889 6.228) 11.017 2.922 ( -7.618 3.290 9.102) 12.316 3.312 ( -7.361 1.827 1.189) 7.677 3.893 ( 4.627 0.670 -9.024) 10.163 4.417 ( 1.314 0.116 3.487) 3.728 5.312 ( 1.600 -8.281 -2.799) 8.886 5.525 ( 6.762 6.314 -18.365) 20.564 5.730 ( 2.177 0.104 -24.101) 24.199 6.093 ( -0.776 1.357 -9.070) 9.204 6.463 ( -4.159 0.557 -31.554) 31.832 7.905 ( 1.579 0.769 2.342) 2.927 8.150 ( 1.090 -0.107 -1.812) 2.117 9.763 ( -3.734 -0.519 -1.418) 4.028 9.940 ( -2.526 0.769 15.353) 15.579 9.982 ( -1.005 0.629 -2.937) 3.167 10.910 ( 1.994 -3.181 9.075) 9.821 11.186 ( -1.173 -1.812 -4.718) 5.188 11.288 ( 2.448 -7.533 1.244) 8.017 11.341 ( 5.050 5.607 4.241) 8.656 11.468 ( 1.508 7.288 2.030) 7.714 22.056 ( -0.272 0.154 2.215) 2.237 22.305 ( 1.939 -0.470 -1.632) 2.578 22.665 ( 1.001 0.277 -3.760) 3.900 22.740 ( 2.335 0.112 -3.468) 4.183 23.151 ( 1.098 -2.904 6.237) 6.967 23.644 ( 2.691 -2.759 -3.849) 5.447 23.866 ( 0.809 1.847 1.658) 2.611 24.015 ( -1.318 2.227 0.166) 2.593 ======================= Grid point 26 (19/216) ======================= q-point: ( 0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( -11.086 1.698 6.325) 12.876 0.915 ( -13.297 1.175 9.720) 16.513 1.200 ( 3.848 7.261 3.290) 8.852 1.286 ( -8.571 -1.269 3.232) 9.248 1.623 ( 4.809 -6.388 2.354) 8.335 1.695 ( 0.910 -2.224 5.410) 5.919 1.755 ( 6.605 0.797 10.253) 12.222 1.770 ( -3.591 2.347 7.642) 8.764 1.916 ( 0.134 7.336 10.218) 12.579 1.988 ( 1.100 -1.175 0.768) 1.783 2.116 ( 4.520 3.513 2.028) 6.073 2.450 ( -0.028 -1.164 -2.387) 2.656 2.504 ( -4.747 -2.223 -6.792) 8.579 2.575 ( 8.906 -0.181 8.900) 12.592 2.738 ( -15.780 0.231 25.556) 30.036 3.134 ( -6.878 3.847 9.470) 12.320 3.438 ( -7.585 1.261 -3.193) 8.326 3.721 ( 8.014 0.803 -11.165) 13.767 4.404 ( 2.365 -0.522 2.390) 3.403 5.122 ( 2.471 -8.017 -17.367) 19.287 5.373 ( 8.432 5.695 -9.190) 13.711 5.566 ( 0.149 0.720 -13.391) 13.411 6.063 ( -2.312 0.888 -9.385) 9.707 6.348 ( -8.471 2.140 -29.817) 31.071 7.902 ( 1.992 1.041 2.401) 3.289 8.113 ( 1.748 0.110 -1.888) 2.575 9.803 ( -3.085 -0.870 -1.092) 3.386 9.980 ( -1.371 0.496 -3.083) 3.410 10.111 ( -3.472 1.619 14.367) 14.869 10.877 ( 4.243 -4.334 4.890) 7.791 11.151 ( -0.545 -2.429 -4.642) 5.267 11.191 ( 2.676 -8.483 1.782) 9.072 11.362 ( 3.494 7.351 4.413) 9.258 11.506 ( 2.916 6.639 2.595) 7.701 22.081 ( -0.590 0.145 2.419) 2.494 22.254 ( 2.600 -0.450 -0.894) 2.786 22.603 ( 3.896 -0.099 -3.933) 5.537 22.685 ( 0.630 0.748 -5.060) 5.153 23.144 ( 0.814 -4.776 5.221) 7.122 23.554 ( 2.238 -1.674 -3.565) 4.530 23.876 ( 2.128 1.130 3.551) 4.291 24.080 ( -3.145 3.641 0.118) 4.813 ======================= Grid point 27 (20/216) ======================= q-point: ( 0.45 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( -8.394 2.181 7.219) 11.284 1.116 ( -0.144 0.673 13.445) 13.463 1.244 ( -4.904 2.937 -3.566) 6.737 1.394 ( -0.855 -2.235 0.206) 2.402 1.502 ( 5.216 -6.861 5.060) 9.994 1.703 ( 3.721 -1.736 8.487) 9.428 1.740 ( 1.124 1.943 4.727) 5.233 1.884 ( 0.955 0.015 4.345) 4.449 1.899 ( -0.197 3.289 1.887) 3.797 2.084 ( 2.601 3.002 -2.106) 4.496 2.115 ( -1.585 6.850 8.033) 10.676 2.409 ( 0.555 -0.501 -4.691) 4.750 2.490 ( -3.598 -2.740 -8.833) 9.923 2.525 ( 6.830 1.776 13.025) 14.814 3.054 ( -2.503 -3.386 14.532) 15.130 3.346 ( -5.604 5.623 8.350) 11.522 3.527 ( -5.056 0.137 -4.802) 6.974 3.537 ( 3.087 1.639 -8.273) 8.981 4.411 ( -1.851 -0.531 5.897) 6.203 4.917 ( -0.493 -6.147 -15.917) 17.070 5.193 ( 9.202 2.337 -9.522) 13.447 5.539 ( -0.586 0.649 0.539) 1.027 6.025 ( -4.841 -2.606 -15.428) 16.378 6.357 ( -11.540 6.289 -20.699) 24.519 7.891 ( 2.046 0.394 1.869) 2.799 8.075 ( 1.800 0.807 -1.477) 2.464 9.832 ( -2.088 -0.558 -0.303) 2.182 9.985 ( -1.421 0.735 -3.117) 3.503 10.278 ( -3.146 1.759 13.118) 13.604 10.791 ( 5.181 -4.159 2.418) 7.070 11.088 ( 0.062 -4.622 -5.978) 7.557 11.109 ( 2.484 -4.747 2.140) 5.769 11.391 ( 2.731 5.348 2.158) 6.381 11.522 ( 3.542 4.983 3.155) 6.880 22.107 ( -0.416 -0.543 2.079) 2.188 22.217 ( 1.435 0.669 0.749) 1.752 22.484 ( 6.221 -1.448 -3.939) 7.504 22.661 ( -1.272 2.275 -6.845) 7.325 23.134 ( -0.887 -5.707 4.161) 7.119 23.502 ( 1.724 1.405 -2.328) 3.220 23.864 ( 3.329 -0.898 4.762) 5.879 24.159 ( -3.289 3.084 -0.847) 4.587 ======================= Grid point 28 (21/216) ======================= q-point: ( 0.55 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( -5.301 2.627 6.832) 9.038 1.146 ( 8.821 4.822 8.020) 12.860 1.238 ( 7.203 -6.123 -0.613) 9.474 1.352 ( -7.749 -4.050 -1.454) 8.863 1.479 ( -2.815 -3.522 1.105) 4.642 1.666 ( 5.733 -2.163 8.793) 10.718 1.748 ( 6.245 3.529 1.766) 7.388 1.860 ( 3.725 -0.804 5.363) 6.579 1.967 ( 1.126 1.825 0.588) 2.224 2.091 ( -3.415 2.919 -2.757) 5.271 2.194 ( 0.046 3.368 2.087) 3.963 2.370 ( -0.346 0.592 -3.626) 3.690 2.474 ( -2.833 -1.265 -4.170) 5.198 2.585 ( 1.436 4.620 12.232) 13.154 2.999 ( 8.075 -2.912 -1.476) 8.710 3.403 ( 2.754 3.082 -7.932) 8.944 3.503 ( -2.145 -0.752 0.482) 2.323 3.626 ( -5.038 3.413 -0.970) 6.162 4.538 ( -3.005 0.779 10.041) 10.510 4.852 ( -7.487 -5.373 -5.567) 10.766 5.019 ( 4.724 -0.615 -2.925) 5.590 5.573 ( 0.036 -0.280 6.311) 6.317 5.965 ( -7.739 -4.592 -19.817) 21.765 6.497 ( -12.206 8.358 -10.933) 18.395 7.871 ( 1.560 -0.713 0.895) 1.934 8.052 ( 1.366 1.619 -0.620) 2.207 9.857 ( -1.216 -0.063 0.457) 1.301 9.992 ( -1.160 1.314 -2.689) 3.209 10.419 ( -1.455 1.290 10.828) 11.002 10.694 ( 4.555 -3.343 2.365) 6.125 11.010 ( 0.463 -5.794 -2.395) 6.287 11.049 ( 1.201 -1.288 -3.744) 4.138 11.391 ( 2.509 2.931 0.374) 3.877 11.517 ( 3.841 3.077 2.568) 5.552 22.107 ( 0.596 -1.429 1.113) 1.907 22.246 ( -1.331 2.523 2.971) 4.119 22.346 ( 5.384 -2.047 -2.992) 6.490 22.660 ( -2.292 3.597 -7.981) 9.049 23.141 ( -1.871 -5.312 3.728) 6.753 23.483 ( 1.801 3.806 -1.354) 4.423 23.824 ( 3.793 -3.257 4.701) 6.863 24.215 ( -2.503 1.325 -1.690) 3.298 ======================= Grid point 29 (22/216) ======================= q-point: (-0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( 8.408 -2.696 -0.192) 8.831 1.114 ( 2.161 -0.183 1.061) 2.415 1.195 ( 1.502 4.553 6.289) 7.909 1.377 ( -0.837 -3.139 -3.548) 4.811 1.557 ( -7.803 -2.919 1.073) 8.400 1.613 ( 5.077 0.396 2.065) 5.495 1.674 ( 6.959 2.506 6.561) 9.887 1.809 ( 4.364 -2.922 3.884) 6.532 1.941 ( 0.907 -0.042 -1.361) 1.636 2.079 ( 4.570 3.125 -4.631) 7.218 2.271 ( -3.503 0.193 3.363) 4.860 2.389 ( -1.853 1.713 -0.087) 2.526 2.479 ( -2.247 -1.888 -3.316) 4.428 2.684 ( 1.343 4.874 3.561) 6.184 2.818 ( 8.969 -2.561 1.734) 9.487 3.269 ( 4.770 1.473 -13.970) 14.835 3.540 ( -2.819 -2.075 1.341) 3.749 3.708 ( -2.139 3.730 0.031) 4.300 4.558 ( 6.686 0.714 3.372) 7.522 4.856 ( -5.421 0.123 -9.894) 11.282 5.173 ( -13.308 -4.693 20.977) 25.282 5.622 ( -1.089 -1.197 6.977) 7.163 5.917 ( -9.154 -4.521 -20.043) 22.494 6.698 ( -10.926 7.795 -3.803) 13.950 7.848 ( 0.568 -1.445 0.180) 1.563 8.049 ( 0.592 1.905 0.037) 1.995 9.874 ( -0.233 0.086 0.604) 0.653 10.006 ( -0.763 2.258 -1.667) 2.908 10.450 ( 5.051 -1.552 3.780) 6.497 10.681 ( -0.992 -0.043 7.721) 7.784 10.944 ( 1.119 -4.660 -0.691) 4.842 11.001 ( -1.261 -0.434 -7.734) 7.848 11.371 ( 1.556 0.831 -0.410) 1.811 11.486 ( 4.083 1.329 1.250) 4.472 22.096 ( 0.014 -1.267 0.985) 1.605 22.219 ( 4.527 -0.694 -2.248) 5.102 22.362 ( -4.774 2.339 5.068) 7.344 22.675 ( -2.803 4.513 -8.220) 9.787 23.153 ( -0.965 -4.113 3.489) 5.479 23.483 ( 1.769 5.243 -0.761) 5.585 23.763 ( 3.002 -5.348 3.199) 6.917 24.233 ( -1.244 -1.049 -1.922) 2.519 ======================= Grid point 30 (23/216) ======================= q-point: (-0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( 2.643 1.393 -0.846) 3.105 1.036 ( 6.269 -0.986 -0.379) 6.358 1.197 ( 4.745 -3.406 1.439) 6.016 1.342 ( -0.366 3.343 -2.059) 3.943 1.558 ( 2.924 2.636 1.346) 4.160 1.616 ( 6.549 -0.378 2.868) 7.160 1.696 ( -4.555 -0.835 7.416) 8.743 1.778 ( -2.713 -1.925 -1.937) 3.849 1.929 ( 1.694 -0.189 0.786) 1.877 1.971 ( 5.225 1.221 -5.221) 7.487 2.301 ( 1.246 -1.837 1.899) 2.921 2.398 ( 1.719 -0.926 -0.894) 2.148 2.492 ( -2.196 -1.456 1.705) 3.139 2.522 ( 11.037 -3.731 -8.369) 14.345 2.822 ( 1.291 1.848 6.553) 6.930 3.120 ( 3.723 1.351 -8.895) 9.737 3.583 ( -4.460 -2.842 0.937) 5.371 3.756 ( -0.252 3.009 0.545) 3.069 4.454 ( 6.487 -0.434 0.408) 6.514 4.936 ( -6.917 4.831 -3.350) 9.079 5.503 ( -13.500 -5.304 18.358) 23.396 5.703 ( -4.826 -1.402 6.954) 8.580 5.890 ( -8.538 -3.199 -18.008) 20.185 6.895 ( -8.126 5.671 0.185) 9.911 7.834 ( -0.386 -1.616 -0.066) 1.662 8.063 ( -0.357 1.663 0.196) 1.712 9.869 ( 1.157 -0.239 0.040) 1.183 10.028 ( -0.171 2.986 -0.383) 3.015 10.340 ( 7.692 -1.977 0.801) 7.982 10.782 ( -2.505 0.869 8.070) 8.494 10.895 ( 1.028 -1.660 -0.128) 1.956 10.971 ( -3.539 -2.017 -8.365) 9.304 11.356 ( -0.339 -0.926 -0.533) 1.121 11.432 ( 3.923 0.116 0.323) 3.938 22.104 ( -0.894 -0.782 1.235) 1.713 22.140 ( 2.628 -0.757 -1.792) 3.270 22.520 ( -6.875 3.047 6.174) 9.729 22.700 ( -2.716 4.747 -7.325) 9.142 23.145 ( 1.734 -2.654 2.585) 4.091 23.502 ( 1.236 6.224 -0.278) 6.352 23.697 ( 0.669 -6.658 0.946) 6.758 24.210 ( 0.200 -3.504 -1.333) 3.754 ======================= Grid point 31 (24/216) ======================= q-point: (-0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( 3.782 2.281 0.000) 4.416 0.904 ( 7.752 -3.548 0.000) 8.525 1.098 ( 2.939 -2.579 -0.000) 3.910 1.385 ( -1.753 3.345 0.000) 3.777 1.490 ( 9.294 -0.007 0.000) 9.294 1.558 ( 2.313 4.207 0.000) 4.801 1.771 ( 0.321 -1.735 -0.000) 1.764 1.804 ( 9.634 -1.185 0.000) 9.707 1.831 ( -6.320 0.255 -0.000) 6.325 1.929 ( 0.010 -4.080 -0.000) 4.080 2.202 ( 16.603 -8.445 -0.000) 18.627 2.284 ( -1.897 -1.796 -0.000) 2.612 2.363 ( 2.519 0.030 0.000) 2.519 2.516 ( -0.384 -1.063 -0.000) 1.130 2.817 ( 1.806 -0.829 0.000) 1.988 3.057 ( 2.622 1.016 0.000) 2.812 3.664 ( -8.210 -2.370 -0.000) 8.545 3.771 ( 1.468 2.431 0.000) 2.840 4.375 ( 3.226 -0.076 0.000) 3.227 5.069 ( -5.095 6.100 0.000) 7.948 5.738 ( -11.971 -2.693 -0.000) 12.270 5.871 ( -2.846 1.874 0.000) 3.408 5.875 ( -12.034 -6.583 -0.000) 13.717 7.035 ( -4.558 3.127 0.000) 5.528 7.833 ( -0.903 -1.314 -0.000) 1.594 8.088 ( -1.213 1.229 0.000) 1.727 9.832 ( 2.968 -0.859 0.000) 3.090 10.048 ( 0.642 2.939 0.000) 3.008 10.205 ( 7.992 -0.512 0.000) 8.008 10.836 ( -1.241 -2.964 -0.000) 3.213 10.914 ( 0.047 7.011 0.000) 7.011 10.967 ( -5.483 -7.159 -0.000) 9.018 11.364 ( -2.612 -2.514 -0.000) 3.625 11.376 ( 3.032 -0.186 0.000) 3.037 22.084 ( 2.274 -0.522 0.000) 2.333 22.142 ( -3.138 -0.411 -0.000) 3.165 22.698 ( -8.032 2.523 -0.000) 8.419 22.733 ( -1.283 4.236 0.000) 4.426 23.086 ( 4.633 -1.769 0.000) 4.960 23.543 ( 0.174 7.068 0.000) 7.070 23.658 ( -2.271 -6.450 -0.000) 6.838 24.154 ( 1.549 -5.537 -0.000) 5.750 ======================= Grid point 36 (25/216) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.319 ( 0.000 0.000 7.201) 7.201 0.391 ( 0.000 0.000 4.092) 4.092 1.143 ( 0.000 0.000 3.907) 3.907 1.255 ( 0.000 0.000 1.434) 1.434 1.705 ( 0.000 0.000 6.823) 6.823 1.714 ( 0.000 0.000 8.545) 8.545 1.787 ( 0.000 0.000 2.293) 2.293 1.807 ( -0.000 -0.000 -7.859) 7.859 1.914 ( 0.000 0.000 32.281) 32.281 2.068 ( 0.000 0.000 18.181) 18.181 2.180 ( 0.000 0.000 21.230) 21.230 2.275 ( -0.000 -0.000 -13.243) 13.243 2.397 ( 0.000 0.000 11.403) 11.403 2.507 ( -0.000 -0.000 -2.821) 2.821 2.819 ( 0.000 0.000 10.329) 10.329 2.891 ( 0.000 0.000 13.866) 13.866 3.269 ( 0.000 0.000 2.867) 2.867 3.855 ( -0.000 -0.000 -10.936) 10.936 4.462 ( 0.000 0.000 5.687) 5.687 5.358 ( -0.000 -0.000 -28.343) 28.343 5.390 ( 0.000 0.000 2.603) 2.603 5.545 ( -0.000 -0.000 -29.741) 29.741 6.004 ( -0.000 -0.000 -10.343) 10.343 6.184 ( -0.000 -0.000 -33.810) 33.810 7.934 ( 0.000 0.000 2.575) 2.575 8.145 ( -0.000 -0.000 -2.221) 2.221 9.726 ( 0.000 0.000 0.212) 0.212 9.947 ( -0.000 -0.000 -3.592) 3.592 10.043 ( 0.000 0.000 17.958) 17.958 11.024 ( 0.000 0.000 11.377) 11.377 11.126 ( -0.000 -0.000 -8.378) 8.378 11.369 ( 0.000 0.000 2.128) 2.128 11.380 ( 0.000 0.000 1.837) 1.837 11.443 ( 0.000 0.000 0.689) 0.689 22.072 ( 0.000 0.000 2.677) 2.677 22.307 ( -0.000 -0.000 -2.415) 2.415 22.650 ( -0.000 -0.000 -2.665) 2.665 22.738 ( -0.000 -0.000 -3.652) 3.652 23.222 ( 0.000 0.000 6.661) 6.661 23.655 ( -0.000 -0.000 -4.246) 4.246 23.866 ( 0.000 0.000 0.839) 0.839 23.983 ( -0.000 -0.000 -2.072) 2.072 ======================= Grid point 37 (26/216) ======================= q-point: ( 0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.480 ( -10.605 1.106 5.955) 12.213 0.634 ( -17.881 7.690 3.420) 19.763 1.209 ( -4.319 -0.915 3.145) 5.420 1.264 ( 1.641 3.227 2.328) 4.304 1.687 ( 0.477 -5.601 -1.152) 5.739 1.747 ( 0.684 0.187 2.787) 2.876 1.802 ( -0.465 -0.884 5.514) 5.604 1.815 ( 0.526 6.063 -0.380) 6.098 2.045 ( 3.254 -1.255 15.603) 15.988 2.136 ( 7.062 -1.653 17.813) 19.233 2.187 ( 4.832 3.406 3.738) 6.994 2.331 ( -7.631 -1.378 -8.466) 11.481 2.432 ( 0.193 -0.364 -4.588) 4.606 2.738 ( -11.695 0.821 36.649) 38.479 2.811 ( 8.405 0.390 14.384) 16.665 3.080 ( -6.364 0.572 12.851) 14.352 3.321 ( -4.184 0.884 -0.409) 4.296 3.731 ( 4.707 0.286 -13.568) 14.364 4.480 ( 3.306 -0.046 5.291) 6.239 5.090 ( 2.168 -8.580 -23.844) 25.433 5.300 ( 2.975 5.981 -24.216) 25.120 5.458 ( -2.545 2.164 -5.347) 6.305 5.949 ( -1.665 0.484 -11.587) 11.716 5.991 ( -5.185 1.523 -30.397) 30.873 7.944 ( 1.528 0.669 2.898) 3.344 8.119 ( 1.062 0.108 -2.455) 2.677 9.754 ( -2.659 -0.196 0.347) 2.689 9.930 ( -0.952 0.494 -3.876) 4.021 10.186 ( -1.175 0.546 17.729) 17.776 11.007 ( 4.129 -2.418 -0.403) 4.802 11.115 ( -2.199 -3.940 -0.296) 4.522 11.316 ( 1.042 -9.795 1.965) 10.044 11.389 ( 3.618 6.466 2.414) 7.792 11.490 ( 1.103 8.323 1.046) 8.461 22.094 ( -0.236 0.001 2.966) 2.975 22.277 ( 1.233 -0.416 -2.355) 2.691 22.621 ( 1.607 0.091 -2.232) 2.752 22.688 ( 2.676 0.100 -3.581) 4.472 23.241 ( 1.454 -3.781 6.186) 7.394 23.582 ( 2.343 -3.014 -4.665) 6.028 23.891 ( -0.129 2.888 1.741) 3.374 24.003 ( -2.602 2.557 -1.519) 3.951 ======================= Grid point 38 (27/216) ======================= q-point: ( 0.45 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( -12.409 0.751 5.548) 13.613 0.999 ( -15.198 6.548 3.051) 16.827 1.247 ( 2.035 1.411 2.895) 3.809 1.321 ( -5.151 -0.197 1.076) 5.266 1.650 ( 0.607 -2.913 2.088) 3.636 1.733 ( 1.456 -1.174 0.882) 2.068 1.822 ( 2.102 4.420 1.805) 5.216 1.893 ( -2.316 0.295 8.300) 8.622 2.000 ( 5.126 -2.471 0.226) 5.695 2.143 ( 6.453 0.521 4.991) 8.174 2.191 ( 5.390 2.991 17.072) 18.150 2.358 ( -5.107 -2.269 -6.898) 8.877 2.380 ( 1.427 0.669 -4.464) 4.734 2.783 ( 10.030 -0.048 17.958) 20.569 3.135 ( -5.033 -1.918 19.694) 20.417 3.271 ( -6.556 5.033 11.024) 13.778 3.388 ( -5.349 -0.064 -4.307) 6.868 3.540 ( 5.351 0.330 -12.263) 13.383 4.456 ( 2.114 0.045 5.430) 5.827 4.845 ( -1.591 -10.572 -18.116) 21.035 5.184 ( 3.061 8.217 -14.038) 16.552 5.477 ( -3.891 -0.085 -4.862) 6.228 5.851 ( -4.252 -1.621 -20.495) 20.994 5.985 ( -8.537 5.890 -15.432) 18.594 7.939 ( 2.230 0.476 2.732) 3.558 8.083 ( 1.636 0.811 -2.270) 2.914 9.798 ( -2.620 -0.337 0.664) 2.724 9.928 ( -1.573 0.836 -3.867) 4.257 10.338 ( -1.602 0.842 16.311) 16.411 10.906 ( 3.932 -2.600 -3.271) 5.737 11.073 ( 0.503 -6.296 -2.437) 6.770 11.235 ( 1.637 -9.244 2.691) 9.766 11.405 ( 3.898 7.822 1.680) 8.900 11.538 ( 2.219 7.201 1.840) 7.757 22.121 ( -0.451 -0.240 2.932) 2.976 22.237 ( 1.286 -0.313 -1.474) 1.981 22.558 ( 4.704 -0.194 -2.166) 5.182 22.619 ( 2.309 0.728 -3.959) 4.641 23.212 ( 0.887 -6.905 4.130) 8.095 23.503 ( 1.605 -0.443 -3.340) 3.732 23.926 ( 0.966 1.884 3.372) 3.982 24.067 ( -3.487 3.472 -1.749) 5.222 ======================= Grid point 39 (28/216) ======================= q-point: ( 0.55 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( -9.632 1.945 6.050) 11.540 1.191 ( -3.001 3.573 -3.505) 5.836 1.258 ( -1.563 -2.107 6.012) 6.560 1.397 ( -2.829 -2.794 0.226) 3.982 1.583 ( 9.470 -4.271 5.081) 11.565 1.733 ( -2.406 1.112 -0.176) 2.657 1.859 ( 2.936 3.953 6.963) 8.528 1.913 ( 3.315 0.294 2.159) 3.967 1.983 ( -0.964 -1.739 6.886) 7.167 2.061 ( 4.018 -0.182 -0.712) 4.085 2.222 ( 2.836 1.956 2.872) 4.485 2.310 ( -0.627 0.707 -7.546) 7.604 2.402 ( -1.529 0.005 1.147) 1.912 2.753 ( 10.322 3.973 14.829) 18.500 3.118 ( 5.738 -1.616 -3.422) 6.873 3.366 ( 2.074 1.287 -8.183) 8.539 3.475 ( -1.430 1.454 0.517) 2.104 3.501 ( -6.260 2.981 1.985) 7.212 4.546 ( -4.550 -0.563 9.157) 10.241 4.756 ( -7.798 -8.532 -2.308) 11.787 5.085 ( 5.876 2.679 -3.619) 7.403 5.511 ( -7.993 -0.787 -12.110) 14.531 5.781 ( -2.859 -2.990 -9.808) 10.645 6.125 ( -13.564 9.493 -11.645) 20.241 7.917 ( 2.375 -0.734 1.523) 2.915 8.055 ( 1.644 2.055 -1.226) 2.904 9.839 ( -1.837 -0.143 1.177) 2.187 9.936 ( -1.687 1.305 -3.315) 3.942 10.480 ( -1.200 0.832 14.139) 14.215 10.798 ( 3.884 -2.658 -3.076) 5.623 10.987 ( 0.210 -5.558 -5.297) 7.680 11.148 ( 3.146 -7.194 1.975) 8.096 11.408 ( 3.563 5.662 0.461) 6.706 11.559 ( 3.281 5.186 1.802) 6.396 22.136 ( 0.278 -1.366 1.676) 2.180 22.228 ( -0.731 1.152 0.680) 1.525 22.440 ( 6.763 -1.386 -2.033) 7.197 22.578 ( 0.836 2.505 -4.349) 5.088 23.181 ( -1.687 -7.449 2.272) 7.968 23.473 ( 1.595 2.804 -1.539) 3.574 23.928 ( 2.744 -0.861 3.798) 4.764 24.136 ( -3.470 2.851 -1.952) 4.897 ======================= Grid point 40 (29/216) ======================= q-point: ( 0.64 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( -3.315 2.695 5.955) 7.329 1.191 ( 1.515 4.555 -2.270) 5.310 1.230 ( 9.593 -6.879 -0.227) 11.807 1.380 ( -2.037 -5.301 4.250) 7.093 1.472 ( -1.943 -3.498 -1.705) 4.350 1.714 ( 5.986 0.994 0.018) 6.068 1.819 ( 7.026 -2.102 4.623) 8.670 1.945 ( 3.162 2.614 -0.616) 4.149 1.967 ( 2.160 -0.185 6.304) 6.666 2.050 ( -0.212 1.285 -3.313) 3.560 2.224 ( -2.001 1.844 1.139) 2.950 2.322 ( -2.854 3.008 -2.106) 4.650 2.423 ( -2.101 -0.336 -1.707) 2.728 2.735 ( 6.542 5.861 4.025) 9.662 3.006 ( 7.909 -1.517 7.418) 10.949 3.225 ( 4.360 1.274 -14.763) 15.446 3.517 ( -2.308 -0.309 0.909) 2.500 3.621 ( -4.311 4.329 -0.078) 6.110 4.638 ( -4.203 -1.772 3.308) 5.634 4.770 ( 4.202 -1.406 -4.648) 6.422 5.163 ( -11.419 -4.775 19.790) 23.342 5.536 ( -10.740 -1.342 -18.400) 21.347 5.743 ( -1.500 -4.238 -2.622) 5.204 6.381 ( -14.797 10.629 -4.550) 18.779 7.880 ( 1.694 -1.579 0.377) 2.346 8.045 ( 1.318 2.578 -0.248) 2.906 9.869 ( -0.973 -0.013 0.891) 1.319 9.956 ( -1.471 2.167 -1.793) 3.174 10.561 ( 2.839 -0.935 7.080) 7.684 10.726 ( 0.705 -0.594 1.657) 1.896 10.914 ( -1.612 -4.378 -6.219) 7.774 11.049 ( 4.018 -5.085 0.501) 6.500 11.392 ( 2.985 3.068 -0.045) 4.280 11.543 ( 4.124 3.101 0.893) 5.237 22.120 ( 0.564 -1.874 0.586) 2.043 22.276 ( 0.969 2.600 0.714) 2.866 22.325 ( 1.442 -1.841 0.130) 2.342 22.570 ( -0.237 4.099 -3.764) 5.570 23.177 ( -2.894 -6.173 1.263) 6.934 23.468 ( 1.949 4.699 -0.551) 5.117 23.879 ( 3.904 -3.474 2.291) 5.706 24.190 ( -2.712 0.911 -1.241) 3.118 ======================= Grid point 41 (30/216) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( 9.576 -3.347 0.000) 10.144 1.122 ( 4.203 0.233 0.000) 4.210 1.264 ( -2.242 5.963 0.000) 6.370 1.331 ( 4.083 -4.985 -0.000) 6.443 1.559 ( -9.402 -2.932 -0.000) 9.849 1.617 ( 6.387 2.044 0.000) 6.706 1.736 ( 1.939 -1.259 -0.000) 2.312 1.867 ( 9.304 -2.189 0.000) 9.558 1.929 ( 0.545 0.953 0.000) 1.098 2.028 ( 4.457 3.236 0.000) 5.508 2.303 ( -3.234 0.667 -0.000) 3.302 2.386 ( -2.262 1.794 0.000) 2.887 2.450 ( -3.057 -0.753 -0.000) 3.148 2.664 ( 7.451 0.232 0.000) 7.455 2.918 ( 6.964 -0.047 0.000) 6.964 3.114 ( 3.180 2.246 0.000) 3.893 3.551 ( -2.796 -1.913 -0.000) 3.388 3.708 ( -2.290 4.131 0.000) 4.724 4.592 ( 9.582 -0.717 0.000) 9.609 4.771 ( -8.280 1.230 -0.000) 8.371 5.432 ( -13.507 -7.373 -0.000) 15.388 5.620 ( -11.099 0.891 -0.000) 11.134 5.724 ( -2.884 -5.174 -0.000) 5.923 6.668 ( -12.506 8.862 0.000) 15.328 7.849 ( 0.580 -1.780 -0.000) 1.872 8.049 ( 0.596 2.285 0.000) 2.361 9.880 ( -0.007 -0.061 -0.000) 0.062 9.991 ( -1.006 2.933 0.000) 3.101 10.478 ( 6.739 -2.499 0.000) 7.187 10.774 ( -1.918 1.844 0.000) 2.661 10.892 ( -3.696 -3.964 -0.000) 5.420 10.955 ( 3.495 -3.004 -0.000) 4.609 11.368 ( 1.782 0.828 0.000) 1.965 11.495 ( 4.390 1.347 0.000) 4.592 22.105 ( -0.334 -1.667 -0.000) 1.700 22.201 ( 4.917 -0.281 0.000) 4.925 22.411 ( -6.570 2.057 -0.000) 6.885 22.602 ( -1.179 5.126 0.000) 5.260 23.179 ( -1.708 -4.366 -0.000) 4.688 23.478 ( 1.938 5.763 0.000) 6.080 23.789 ( 3.452 -5.605 -0.000) 6.582 24.216 ( -1.399 -1.463 -0.000) 2.024 ======================= Grid point 48 (31/216) ======================= q-point: ( 0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.413 ( 0.000 0.000 5.515) 5.515 0.445 ( 0.000 0.000 3.203) 3.203 1.198 ( 0.000 0.000 3.435) 3.435 1.262 ( -0.000 -0.000 -0.127) 0.127 1.728 ( -0.000 -0.000 -2.542) 2.542 1.766 ( 0.000 0.000 1.279) 1.279 1.773 ( 0.000 0.000 1.560) 1.560 1.839 ( 0.000 0.000 6.757) 6.757 2.045 ( -0.000 -0.000 -12.808) 12.808 2.227 ( -0.000 -0.000 -6.132) 6.132 2.272 ( 0.000 0.000 9.318) 9.318 2.412 ( -0.000 -0.000 -2.576) 2.576 2.441 ( 0.000 0.000 34.021) 34.021 2.910 ( 0.000 0.000 39.919) 39.919 2.962 ( 0.000 0.000 9.364) 9.364 3.170 ( 0.000 0.000 23.553) 23.553 3.279 ( -0.000 -0.000 -1.412) 1.412 3.662 ( -0.000 -0.000 -16.126) 16.126 4.572 ( 0.000 0.000 9.937) 9.937 4.936 ( -0.000 -0.000 -28.948) 28.948 5.083 ( -0.000 -0.000 -33.262) 33.262 5.369 ( -0.000 -0.000 -10.034) 10.034 5.755 ( -0.000 -0.000 -19.924) 19.924 5.861 ( -0.000 -0.000 -9.159) 9.159 7.975 ( 0.000 0.000 2.997) 2.997 8.109 ( -0.000 -0.000 -2.784) 2.784 9.741 ( 0.000 0.000 1.839) 1.839 9.891 ( -0.000 -0.000 -4.095) 4.095 10.307 ( 0.000 0.000 18.213) 18.213 10.980 ( -0.000 -0.000 -11.704) 11.704 11.180 ( 0.000 0.000 9.944) 9.944 11.399 ( 0.000 0.000 1.756) 1.756 11.405 ( 0.000 0.000 1.403) 1.403 11.437 ( -0.000 -0.000 -1.629) 1.629 22.115 ( 0.000 0.000 3.323) 3.323 22.267 ( -0.000 -0.000 -3.115) 3.115 22.623 ( -0.000 -0.000 -1.019) 1.019 22.686 ( -0.000 -0.000 -3.386) 3.386 23.319 ( 0.000 0.000 6.685) 6.685 23.586 ( -0.000 -0.000 -5.259) 5.259 23.881 ( 0.000 0.000 1.139) 1.139 23.952 ( -0.000 -0.000 -2.085) 2.085 ======================= Grid point 49 (32/216) ======================= q-point: ( 0.45 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.551 ( -11.282 -0.612 3.612) 11.862 0.676 ( -16.407 10.557 2.305) 19.646 1.244 ( -2.374 -1.088 1.499) 3.011 1.282 ( -1.216 2.871 0.561) 3.168 1.687 ( -0.457 -5.293 2.055) 5.697 1.760 ( 0.971 -1.489 -0.334) 1.808 1.807 ( 0.787 5.979 0.370) 6.042 1.911 ( -2.228 -0.195 7.535) 7.860 1.979 ( -0.714 3.408 -9.163) 9.803 2.192 ( -2.737 -0.633 -8.839) 9.275 2.279 ( 4.529 -2.022 5.009) 7.049 2.372 ( 2.169 -1.549 -2.653) 3.760 2.602 ( 9.433 0.231 33.379) 34.687 3.020 ( 1.941 -0.507 12.590) 12.749 3.239 ( -5.224 0.554 22.796) 23.394 3.256 ( 1.804 -3.675 6.542) 7.717 3.325 ( 0.317 4.113 7.499) 8.558 3.511 ( 2.368 -0.221 -13.403) 13.612 4.551 ( 5.741 -0.899 1.945) 6.128 4.762 ( -4.109 -11.890 -18.653) 22.499 4.948 ( -6.168 9.981 -18.060) 21.537 5.307 ( -4.816 3.014 -21.408) 22.149 5.681 ( -1.218 0.673 -5.704) 5.872 5.815 ( -1.686 1.289 -8.582) 8.840 7.988 ( 1.414 0.410 3.132) 3.461 8.080 ( 1.025 0.414 -2.890) 3.094 9.773 ( -1.840 -0.024 2.229) 2.891 9.872 ( -1.095 0.403 -4.057) 4.221 10.441 ( -0.472 0.185 17.303) 17.311 10.883 ( 0.782 -0.307 -12.458) 12.486 11.189 ( 2.317 -8.537 5.981) 10.678 11.335 ( -0.567 -10.371 0.394) 10.394 11.413 ( 4.145 8.176 0.934) 9.214 11.499 ( 0.190 9.134 0.249) 9.139 22.140 ( -0.153 -0.159 3.410) 3.417 22.238 ( 0.537 -0.336 -3.010) 3.076 22.601 ( 2.144 0.048 -0.405) 2.182 22.640 ( 2.728 0.082 -2.841) 3.940 23.327 ( 2.213 -5.156 5.639) 7.955 23.511 ( 1.723 -2.240 -4.934) 5.686 23.917 ( -1.150 3.208 1.921) 3.912 23.976 ( -2.684 2.876 -2.049) 4.436 ======================= Grid point 50 (33/216) ======================= q-point: ( 0.55 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( -14.212 -0.692 2.257) 14.406 1.025 ( -11.364 10.953 0.804) 15.804 1.284 ( -3.419 -1.277 2.063) 4.192 1.318 ( -2.358 -0.663 -1.170) 2.714 1.683 ( -0.839 -3.317 1.918) 3.922 1.734 ( 1.566 -0.261 -0.494) 1.662 1.855 ( 0.503 5.696 3.361) 6.632 1.951 ( -0.465 4.073 -4.332) 5.964 2.030 ( -2.357 -0.022 8.809) 9.119 2.164 ( 1.356 -2.986 -5.175) 6.127 2.189 ( 2.591 -1.447 -2.320) 3.767 2.287 ( 3.306 -1.740 -3.172) 4.901 2.627 ( 13.809 -2.565 23.887) 27.710 3.007 ( 13.611 1.311 3.611) 14.143 3.139 ( 0.210 0.031 -4.087) 4.093 3.294 ( -2.783 -0.076 -8.487) 8.932 3.461 ( 1.189 3.282 7.412) 8.193 3.474 ( 0.832 1.175 2.374) 2.777 4.538 ( -4.497 -5.989 1.412) 7.621 4.697 ( -8.506 -6.081 2.178) 10.681 5.033 ( -4.590 4.602 -6.463) 9.166 5.267 ( -5.118 2.435 -18.023) 18.893 5.724 ( -3.527 2.378 2.769) 5.076 5.821 ( -5.928 3.718 -9.140) 11.511 7.975 ( 2.506 -0.700 1.857) 3.196 8.052 ( 1.365 2.025 -1.676) 2.962 9.821 ( -1.978 -0.125 2.152) 2.926 9.874 ( -1.911 0.921 -3.265) 3.894 10.570 ( -0.474 0.198 15.435) 15.444 10.777 ( 0.662 -0.278 -12.585) 12.605 11.081 ( 3.860 -9.897 1.280) 10.700 11.261 ( 0.833 -9.545 0.924) 9.625 11.417 ( 4.573 8.721 0.272) 9.851 11.557 ( 1.653 7.429 0.673) 7.641 22.162 ( 0.084 -0.842 2.467) 2.608 22.212 ( -0.205 0.103 -1.840) 1.855 22.540 ( 5.553 -0.431 -0.443) 5.587 22.576 ( 2.952 0.969 -1.771) 3.576 23.257 ( 1.212 -9.303 1.841) 9.561 23.465 ( 1.067 1.514 -1.627) 2.466 23.970 ( 0.160 1.831 2.420) 3.039 24.037 ( -3.516 3.816 -1.973) 5.551 ======================= Grid point 51 (34/216) ======================= q-point: ( 0.64 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( -11.869 1.208 -0.000) 11.931 1.159 ( -0.066 4.567 0.000) 4.568 1.299 ( -1.031 -3.081 -0.000) 3.249 1.399 ( -5.353 -2.961 -0.000) 6.117 1.625 ( 10.844 -3.465 0.000) 11.384 1.727 ( -3.529 1.803 0.000) 3.963 1.900 ( -0.084 5.646 0.000) 5.646 1.962 ( 3.234 4.325 0.000) 5.401 2.002 ( 7.341 -6.576 -0.000) 9.855 2.104 ( -1.850 -4.999 -0.000) 5.330 2.183 ( -1.288 2.102 0.000) 2.465 2.249 ( -1.158 2.094 0.000) 2.393 2.474 ( 9.362 -1.736 0.000) 9.522 2.839 ( 11.274 7.108 0.000) 13.328 3.163 ( -0.078 -1.110 -0.000) 1.112 3.204 ( 7.217 0.484 0.000) 7.233 3.491 ( -0.466 1.599 0.000) 1.666 3.519 ( -3.739 3.515 0.000) 5.132 4.574 ( -7.784 -8.444 -0.000) 11.484 4.830 ( 0.307 2.815 0.000) 2.832 5.128 ( -11.179 -4.803 -0.000) 12.167 5.264 ( -6.633 -0.790 -0.000) 6.680 5.762 ( 0.409 -0.687 -0.000) 0.800 6.030 ( -15.156 10.286 0.000) 18.317 7.929 ( 2.551 -1.519 -0.000) 2.969 8.045 ( 1.521 2.871 0.000) 3.249 9.855 ( -1.469 -0.251 -0.000) 1.490 9.904 ( -2.013 1.723 0.000) 2.650 10.649 ( 1.713 -0.867 -0.000) 1.920 10.704 ( -0.927 0.911 0.000) 1.300 10.955 ( 2.442 -8.231 -0.000) 8.585 11.163 ( 3.240 -7.391 -0.000) 8.070 11.410 ( 3.835 5.892 0.000) 7.030 11.572 ( 3.201 5.223 0.000) 6.125 22.149 ( 0.778 -1.813 -0.000) 1.972 22.233 ( -2.102 1.411 0.000) 2.532 22.425 ( 6.967 -1.440 0.000) 7.114 22.544 ( 1.899 2.719 0.000) 3.317 23.197 ( -1.986 -8.320 -0.000) 8.554 23.461 ( 1.583 3.529 0.000) 3.868 23.960 ( 2.600 -1.004 0.000) 2.787 24.118 ( -3.636 2.964 0.000) 4.691 ======================= Grid point 61 (35/216) ======================= q-point: ( 0.45 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.471 ( 0.000 0.000 2.280) 2.280 0.478 ( 0.000 0.000 1.125) 1.125 1.236 ( 0.000 0.000 1.882) 1.882 1.255 ( -0.000 -0.000 -0.808) 0.808 1.745 ( 0.000 0.000 5.038) 5.038 1.776 ( 0.000 0.000 0.350) 0.350 1.779 ( -0.000 -0.000 -0.048) 0.048 1.865 ( -0.000 -0.000 -11.049) 11.049 1.961 ( 0.000 0.000 9.493) 9.493 2.103 ( -0.000 -0.000 -9.826) 9.826 2.357 ( 0.000 0.000 3.321) 3.321 2.388 ( -0.000 -0.000 -1.392) 1.392 2.913 ( 0.000 0.000 28.658) 28.658 3.076 ( 0.000 0.000 4.999) 4.999 3.241 ( -0.000 -0.000 -2.316) 2.316 3.386 ( -0.000 -0.000 -21.085) 21.085 3.418 ( 0.000 0.000 25.483) 25.483 3.486 ( 0.000 0.000 15.067) 15.067 4.583 ( -0.000 -0.000 -15.595) 15.595 4.644 ( -0.000 -0.000 -23.291) 23.291 4.764 ( 0.000 0.000 17.188) 17.188 5.072 ( -0.000 -0.000 -24.539) 24.539 5.670 ( 0.000 0.000 2.669) 2.669 5.745 ( -0.000 -0.000 -6.855) 6.855 8.020 ( 0.000 0.000 3.184) 3.184 8.066 ( -0.000 -0.000 -3.115) 3.115 9.778 ( 0.000 0.000 3.240) 3.240 9.831 ( -0.000 -0.000 -4.020) 4.020 10.562 ( 0.000 0.000 16.871) 16.871 10.790 ( -0.000 -0.000 -14.572) 14.572 11.306 ( 0.000 0.000 7.444) 7.444 11.393 ( -0.000 -0.000 -4.511) 4.511 11.417 ( 0.000 0.000 0.703) 0.703 11.419 ( 0.000 0.000 0.475) 0.475 22.166 ( 0.000 0.000 3.643) 3.643 22.219 ( -0.000 -0.000 -3.564) 3.564 22.621 ( 0.000 0.000 0.769) 0.769 22.644 ( -0.000 -0.000 -2.346) 2.346 23.414 ( 0.000 0.000 6.459) 6.459 23.504 ( -0.000 -0.000 -5.993) 5.993 23.900 ( 0.000 0.000 1.486) 1.486 23.924 ( -0.000 -0.000 -1.840) 1.840 ======================= Grid point 62 (36/216) ======================= q-point: ( 0.55 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.578 ( -11.708 -1.421 -0.000) 11.794 0.694 ( -15.651 11.827 0.000) 19.617 1.253 ( -1.467 -1.132 -0.000) 1.853 1.285 ( -2.083 2.492 0.000) 3.248 1.731 ( 0.156 -6.178 -0.000) 6.180 1.742 ( -0.515 -3.558 -0.000) 3.595 1.835 ( 0.127 5.543 0.000) 5.545 1.852 ( -1.006 6.626 0.000) 6.702 2.046 ( -2.001 -0.415 -0.000) 2.044 2.063 ( -2.543 1.883 0.000) 3.165 2.320 ( 4.554 -4.069 -0.000) 6.107 2.347 ( 3.019 -0.884 0.000) 3.146 3.022 ( 8.851 -2.827 0.000) 9.292 3.070 ( 3.243 2.985 0.000) 4.408 3.173 ( 2.604 -4.968 -0.000) 5.609 3.231 ( 2.371 1.917 0.000) 3.049 3.514 ( 2.359 1.008 0.000) 2.566 3.519 ( 2.613 1.693 0.000) 3.113 4.532 ( -4.073 -8.692 -0.000) 9.599 4.581 ( -7.135 -1.964 -0.000) 7.401 4.930 ( -3.312 -0.175 -0.000) 3.317 5.026 ( -6.940 10.756 0.000) 12.801 5.695 ( -0.590 -0.704 -0.000) 0.919 5.722 ( -1.072 2.444 0.000) 2.669 8.026 ( 1.700 -0.662 0.000) 1.824 8.044 ( 0.672 1.499 0.000) 1.643 9.812 ( -1.142 -0.274 -0.000) 1.175 9.819 ( -1.578 0.664 -0.000) 1.712 10.677 ( 0.171 -0.343 -0.000) 0.383 10.681 ( -0.119 0.163 0.000) 0.202 11.239 ( 3.945 -10.905 -0.000) 11.597 11.333 ( -1.974 -9.501 -0.000) 9.704 11.419 ( 4.822 9.343 0.000) 10.514 11.500 ( -0.439 9.263 0.000) 9.273 22.188 ( 0.289 -0.628 -0.000) 0.691 22.194 ( -0.158 0.101 0.000) 0.188 22.609 ( 2.757 0.042 0.000) 2.757 22.609 ( 2.330 0.077 0.000) 2.331 23.385 ( 3.631 -8.215 -0.000) 8.982 23.459 ( 0.380 0.633 0.000) 0.738 23.946 ( -2.487 3.255 0.000) 4.096 23.946 ( -1.687 3.009 0.000) 3.450 ======================= Grid point 126 (37/216) ======================= q-point: ( 0.09 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.096 ( -0.000 5.920 -0.000) 5.920 0.125 ( -0.000 7.574 -0.000) 7.574 0.535 ( -0.000 32.639 -0.000) 32.639 0.838 ( 0.000 -0.273 0.000) 0.273 1.064 ( -0.000 2.947 -0.000) 2.947 1.098 ( -0.000 0.262 -0.000) 0.262 1.409 ( -0.000 7.946 -0.000) 7.946 1.680 ( -0.000 6.358 -0.000) 6.358 1.840 ( -0.000 0.463 -0.000) 0.463 1.859 ( 0.000 -0.852 0.000) 0.852 2.155 ( 0.000 -2.396 0.000) 2.396 2.260 ( 0.000 -5.953 0.000) 5.953 2.576 ( 0.000 -0.687 0.000) 0.687 2.580 ( 0.000 -10.617 0.000) 10.617 2.892 ( -0.000 2.849 -0.000) 2.849 3.032 ( -0.000 11.615 -0.000) 11.615 3.364 ( 0.000 -1.721 0.000) 1.721 4.091 ( -0.000 0.355 -0.000) 0.355 4.356 ( -0.000 0.017 -0.000) 0.017 5.365 ( 0.000 -3.766 0.000) 3.766 5.820 ( -0.000 1.412 -0.000) 1.412 6.241 ( 0.000 -1.373 0.000) 1.373 6.339 ( -0.000 4.669 -0.000) 4.669 7.114 ( 0.000 -0.231 0.000) 0.231 7.880 ( -0.000 0.988 -0.000) 0.988 8.188 ( 0.000 -0.714 0.000) 0.714 9.580 ( -0.000 3.234 -0.000) 3.234 9.756 ( 0.000 -0.033 0.000) 0.033 10.022 ( 0.000 -1.592 0.000) 1.592 10.824 ( -0.000 1.187 -0.000) 1.187 11.126 ( 0.000 -10.551 0.000) 10.551 11.350 ( 0.000 -1.561 0.000) 1.561 11.470 ( -0.000 6.827 -0.000) 6.827 11.480 ( -0.000 1.044 -0.000) 1.044 22.017 ( -0.000 0.656 -0.000) 0.656 22.350 ( 0.000 -1.192 0.000) 1.192 22.800 ( -0.000 0.375 -0.000) 0.375 22.838 ( -0.000 0.226 -0.000) 0.226 23.022 ( -0.000 1.580 -0.000) 1.580 23.762 ( -0.000 1.348 -0.000) 1.348 23.826 ( 0.000 -2.662 0.000) 2.662 23.851 ( -0.000 1.088 -0.000) 1.088 ======================= Grid point 127 (38/216) ======================= q-point: ( 0.18 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.329 ( -14.104 3.191 1.526) 14.541 0.413 ( -12.302 8.727 3.625) 15.513 0.968 ( -16.348 18.603 9.091) 26.381 0.998 ( -11.573 -4.734 6.975) 14.317 1.147 ( -3.860 5.376 5.952) 8.901 1.163 ( -4.255 2.530 9.065) 10.328 1.487 ( -0.389 7.315 0.796) 7.369 1.738 ( 0.320 7.371 1.420) 7.513 1.814 ( 3.145 -0.174 -0.434) 3.180 1.830 ( 1.814 2.641 0.257) 3.214 2.154 ( -2.133 -3.959 -0.917) 4.590 2.183 ( 1.161 -6.114 -1.240) 6.346 2.539 ( -3.620 -10.812 0.185) 11.404 2.551 ( 1.727 -0.502 -1.133) 2.126 2.848 ( 9.780 11.660 -7.177) 16.826 2.961 ( 4.424 7.426 5.088) 10.030 3.516 ( -13.346 -2.746 -7.995) 15.798 4.053 ( 4.643 0.300 -1.224) 4.811 4.355 ( 0.623 0.182 0.870) 1.085 5.277 ( 2.893 -3.876 -2.674) 5.526 5.848 ( -0.059 0.658 -0.224) 0.698 6.172 ( 4.570 -1.836 -5.406) 7.313 6.326 ( 5.533 6.499 -2.734) 8.962 7.084 ( -0.296 -0.431 -7.799) 7.816 7.878 ( 1.356 1.443 0.812) 2.140 8.171 ( 1.061 -0.990 -0.261) 1.475 9.640 ( -2.135 3.767 3.911) 5.835 9.836 ( -8.074 -2.414 -1.332) 8.532 10.014 ( -0.940 -2.283 0.025) 2.470 10.825 ( 0.073 2.397 -2.388) 3.385 11.032 ( 0.964 -11.128 0.725) 11.193 11.322 ( 5.387 1.588 -0.267) 5.623 11.331 ( 9.748 8.491 2.545) 13.176 11.509 ( 2.327 5.866 1.377) 6.460 22.027 ( -0.274 0.915 0.401) 1.036 22.317 ( 2.400 -1.472 -0.306) 2.832 22.805 ( 2.032 1.083 -2.081) 3.104 22.818 ( -1.735 0.383 -1.327) 2.218 23.014 ( 2.135 1.558 -0.468) 2.684 23.683 ( 5.217 -3.324 -1.218) 6.304 23.776 ( 2.384 1.872 3.713) 4.793 23.975 ( -5.032 2.143 2.674) 6.088 ======================= Grid point 128 (39/216) ======================= q-point: ( 0.27 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.561 ( -11.434 4.042 -1.251) 12.192 0.674 ( -9.173 7.975 3.402) 12.622 1.149 ( -2.681 -2.938 12.902) 13.501 1.212 ( -7.236 1.220 -0.457) 7.352 1.333 ( -8.098 4.196 3.875) 9.909 1.471 ( -0.408 2.443 2.375) 3.431 1.551 ( -7.096 7.547 10.414) 14.690 1.776 ( -0.192 -0.841 5.859) 5.922 1.851 ( -3.562 10.536 2.079) 11.314 1.874 ( -0.892 5.490 2.494) 6.096 2.083 ( 1.380 -4.294 4.524) 6.388 2.203 ( -5.251 -0.501 -3.224) 6.182 2.463 ( 3.464 -7.945 -0.034) 8.667 2.510 ( 1.655 0.426 -1.924) 2.573 2.788 ( 1.857 5.351 -4.360) 7.148 3.021 ( -0.683 4.986 4.745) 6.917 3.615 ( -7.408 -0.491 -5.467) 9.221 3.937 ( 8.071 0.383 -3.041) 8.634 4.352 ( 0.930 0.380 1.002) 1.419 5.186 ( 2.014 -5.979 -0.686) 6.346 5.793 ( 3.645 1.060 -11.032) 11.667 5.997 ( 8.011 -2.036 -9.753) 12.785 6.264 ( 6.381 7.349 -0.922) 9.776 7.013 ( -0.967 -0.788 -12.446) 12.508 7.876 ( 1.548 1.825 1.213) 2.683 8.137 ( 1.696 -1.082 -0.403) 2.052 9.743 ( -3.124 2.242 4.349) 5.805 9.937 ( -7.086 0.044 -1.061) 7.165 10.018 ( -2.212 -2.634 0.505) 3.477 10.823 ( 0.726 2.165 -3.195) 3.928 10.936 ( 1.052 -9.652 1.962) 9.905 11.250 ( 6.051 2.720 1.921) 6.907 11.326 ( 2.039 5.015 2.638) 6.022 11.511 ( 4.302 4.406 2.367) 6.597 22.046 ( -0.600 0.983 0.704) 1.350 22.256 ( 3.360 -1.151 -0.235) 3.559 22.741 ( 3.850 0.024 -4.400) 5.847 22.853 ( -3.845 0.339 -2.953) 4.860 22.978 ( 3.062 0.343 0.709) 3.162 23.581 ( 2.670 -4.749 -0.631) 5.484 23.779 ( 3.227 3.295 3.517) 5.800 24.086 ( -3.838 3.187 2.448) 5.557 ======================= Grid point 129 (40/216) ======================= q-point: ( 0.36 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( -9.040 3.766 0.712) 9.819 0.875 ( -5.372 4.967 4.785) 8.742 1.239 ( 1.419 0.638 10.350) 10.466 1.305 ( -3.941 -0.299 -1.483) 4.221 1.381 ( 0.668 -4.599 0.163) 4.650 1.465 ( -0.757 1.559 -1.810) 2.506 1.729 ( -5.327 5.404 1.703) 7.777 1.835 ( 3.669 -2.851 2.155) 5.122 1.878 ( -0.652 4.499 2.923) 5.404 2.027 ( -1.994 5.222 4.968) 7.479 2.194 ( -3.095 2.099 1.162) 3.916 2.345 ( -8.477 1.882 13.125) 15.737 2.379 ( -2.164 0.365 3.015) 3.729 2.476 ( 1.587 1.198 -2.345) 3.074 2.762 ( -0.193 -1.916 -5.048) 5.402 3.134 ( -3.322 3.322 8.730) 9.914 3.670 ( -4.118 -0.201 -4.142) 5.844 3.778 ( 8.358 1.102 -4.266) 9.448 4.350 ( 0.069 0.468 0.134) 0.491 5.111 ( 1.338 -6.411 1.619) 6.746 5.590 ( 9.264 2.465 -18.709) 21.022 5.766 ( 8.399 -1.996 -12.029) 14.806 6.245 ( 3.494 6.041 1.529) 7.144 6.931 ( -1.238 -1.313 -12.296) 12.428 7.873 ( 1.725 1.826 0.840) 2.648 8.098 ( 1.791 -0.977 -0.302) 2.062 9.819 ( -2.372 0.275 1.560) 2.852 10.001 ( -1.903 -1.432 0.191) 2.389 10.098 ( -7.121 1.749 2.112) 7.630 10.765 ( 2.760 -2.474 -4.250) 5.639 10.895 ( -0.389 -3.688 2.438) 4.438 11.194 ( 3.331 0.015 0.617) 3.388 11.367 ( 1.057 4.474 3.528) 5.795 11.484 ( 5.003 2.981 3.084) 6.590 22.070 ( -0.803 0.733 0.621) 1.253 22.200 ( 2.664 -0.264 0.524) 2.728 22.612 ( 6.323 -1.626 -6.402) 9.144 22.894 ( -2.733 -1.341 -0.028) 3.045 22.950 ( 0.074 0.987 -1.796) 2.051 23.514 ( 1.227 -4.542 0.941) 4.798 23.775 ( 4.017 5.046 2.021) 6.759 24.179 ( -3.127 2.124 1.804) 4.188 ======================= Grid point 130 (41/216) ======================= q-point: ( 0.45 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( -7.196 1.762 3.743) 8.300 0.985 ( 0.034 2.379 5.512) 6.004 1.202 ( 3.674 -1.370 -2.361) 4.577 1.329 ( -2.046 -0.254 0.160) 2.068 1.438 ( -4.231 -0.216 4.794) 6.398 1.445 ( -0.461 -1.146 -3.593) 3.799 1.732 ( 4.265 -2.303 -0.530) 4.876 1.839 ( 1.457 3.662 -1.013) 4.069 1.954 ( -1.567 3.734 5.807) 7.079 2.046 ( 1.613 -1.870 3.384) 4.189 2.262 ( -2.006 4.904 -0.557) 5.328 2.412 ( 0.085 -1.827 0.128) 1.833 2.468 ( -2.452 7.046 0.070) 7.461 2.611 ( -3.464 -0.614 -0.876) 3.625 2.720 ( -1.916 -3.322 8.825) 9.622 3.298 ( -4.964 0.693 11.481) 12.527 3.630 ( 4.709 1.736 -4.375) 6.658 3.713 ( -1.475 0.652 -1.760) 2.387 4.369 ( -2.747 -0.106 -0.014) 2.749 5.070 ( 0.313 -4.467 3.204) 5.506 5.297 ( 12.518 3.232 -18.803) 22.819 5.554 ( 4.930 -1.590 -11.525) 12.635 6.256 ( 1.665 3.965 0.503) 4.330 6.860 ( -0.541 -1.620 -7.388) 7.583 7.862 ( 1.536 1.198 -0.012) 1.948 8.064 ( 1.406 -0.623 0.214) 1.553 9.853 ( -1.418 -0.259 0.082) 1.444 10.016 ( -1.190 -1.435 0.898) 2.069 10.247 ( -6.251 2.995 2.645) 7.418 10.658 ( 3.490 -3.278 -3.864) 6.152 10.900 ( -1.082 -1.401 0.767) 1.929 11.157 ( 1.620 -0.387 0.225) 1.680 11.398 ( 1.286 2.411 1.675) 3.205 11.455 ( 3.757 1.776 3.571) 5.479 22.083 ( -0.024 0.094 -0.337) 0.351 22.192 ( -0.159 1.174 2.517) 2.782 22.443 ( 6.481 -2.592 -6.045) 9.234 22.907 ( 1.386 -3.512 7.078) 8.022 22.971 ( -4.558 2.990 -8.231) 9.872 23.477 ( 0.493 -4.388 2.316) 4.986 23.763 ( 4.079 6.517 -0.329) 7.695 24.240 ( -2.083 0.063 0.749) 2.215 ======================= Grid point 131 (42/216) ======================= q-point: ( 0.55 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( 2.206 -2.280 0.478) 3.208 1.055 ( -4.219 -0.267 3.742) 5.646 1.145 ( 3.020 2.847 0.531) 4.184 1.350 ( -2.002 -0.432 -2.474) 3.212 1.439 ( -3.347 -1.934 -2.163) 4.430 1.532 ( -3.232 0.630 3.767) 5.003 1.662 ( 2.553 -1.118 -0.108) 2.789 1.774 ( 3.991 0.092 -1.867) 4.406 1.984 ( 3.503 1.989 -0.870) 4.121 2.106 ( -3.919 -0.737 6.218) 7.387 2.276 ( 3.113 3.520 -2.823) 5.482 2.372 ( 1.526 -0.918 -1.095) 2.091 2.525 ( 2.079 -4.556 -3.157) 5.920 2.601 ( -2.795 6.227 2.649) 7.322 2.833 ( -2.829 -0.188 5.811) 6.466 3.413 ( -2.188 -3.408 5.169) 6.566 3.564 ( 2.781 1.939 -3.299) 4.730 3.732 ( 0.397 1.504 1.631) 2.254 4.443 ( -4.995 -0.774 2.935) 5.845 5.004 ( 8.599 2.434 -13.031) 15.801 5.087 ( -0.284 -1.569 3.307) 3.671 5.437 ( 0.348 -0.443 -6.032) 6.058 6.253 ( 0.740 1.654 -2.508) 3.094 6.823 ( 0.754 -1.226 1.036) 1.773 7.846 ( 0.763 0.300 -0.818) 1.158 8.049 ( 0.645 -0.131 0.934) 1.142 9.867 ( -0.598 -0.117 0.076) 0.615 10.030 ( -0.633 -0.565 1.347) 1.592 10.353 ( -1.706 1.129 0.678) 2.155 10.572 ( 0.794 -1.177 -1.720) 2.230 10.915 ( -2.010 -0.547 -1.273) 2.441 11.139 ( 0.317 -0.185 -0.212) 0.424 11.390 ( 1.762 0.749 0.307) 1.939 11.443 ( 1.972 0.377 1.923) 2.780 22.078 ( -0.107 0.198 -0.597) 0.638 22.252 ( -1.563 1.743 3.576) 4.274 22.297 ( 3.363 -2.254 -3.780) 5.539 22.906 ( 2.551 -3.230 8.947) 9.848 23.006 ( -4.224 3.149 -8.764) 10.226 23.459 ( -0.360 -4.401 2.842) 5.251 23.750 ( 3.078 7.060 -2.577) 8.121 24.255 ( -0.731 -2.173 -0.644) 2.381 ======================= Grid point 132 (43/216) ======================= q-point: (-0.36 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( 3.680 -3.582 -0.370) 5.149 1.035 ( 4.112 -3.173 -1.795) 5.496 1.203 ( -2.819 5.456 0.978) 6.219 1.359 ( -2.448 0.372 -3.663) 4.421 1.472 ( -1.519 -0.444 1.622) 2.266 1.583 ( 3.737 2.410 -0.792) 4.517 1.635 ( -4.036 -1.427 1.274) 4.467 1.745 ( -1.765 -1.183 -0.883) 2.301 1.919 ( 2.618 -1.495 -2.551) 3.950 2.132 ( 3.613 -1.975 -0.033) 4.118 2.226 ( 2.656 2.562 -1.421) 3.955 2.324 ( 3.139 -3.874 0.991) 5.083 2.452 ( 0.703 -1.811 -1.152) 2.258 2.684 ( 1.876 3.399 3.809) 5.439 2.898 ( -3.098 4.844 -4.697) 7.424 3.376 ( 2.459 -6.770 -5.194) 8.880 3.513 ( 1.067 0.613 -1.410) 1.871 3.735 ( 2.753 1.075 3.046) 4.244 4.477 ( 3.516 0.881 -0.648) 3.682 4.947 ( -5.917 -0.625 6.755) 9.002 5.131 ( -3.233 0.941 0.163) 3.371 5.455 ( -3.703 0.561 3.395) 5.055 6.222 ( 0.465 -0.282 -4.785) 4.816 6.832 ( 1.934 -0.494 9.105) 9.321 7.834 ( -0.217 -0.336 -1.171) 1.237 8.055 ( -0.339 0.212 1.392) 1.448 9.872 ( 0.139 0.156 0.098) 0.230 10.045 ( 0.140 0.287 1.666) 1.696 10.303 ( 5.045 -1.733 -2.330) 5.821 10.617 ( -4.309 1.674 1.722) 4.933 10.936 ( -3.086 -0.072 -3.613) 4.752 11.140 ( -0.977 0.243 -1.134) 1.516 11.369 ( 1.076 -0.366 -0.325) 1.182 11.416 ( 1.563 -1.125 -0.619) 2.023 22.087 ( -0.881 0.704 -0.371) 1.187 22.185 ( 2.630 -1.982 -2.776) 4.307 22.378 ( -5.037 2.207 5.641) 7.878 22.902 ( 3.742 -2.577 9.936) 10.926 23.025 ( -2.717 3.165 -8.480) 9.451 23.462 ( -1.812 -3.893 2.780) 5.115 23.746 ( 1.331 6.486 -3.964) 7.716 24.219 ( 0.709 -4.044 -2.242) 4.678 ======================= Grid point 133 (44/216) ======================= q-point: (-0.27 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( 5.969 -2.770 0.386) 6.592 0.898 ( 7.273 -2.972 -3.205) 8.485 1.257 ( -4.651 1.136 -10.225) 11.291 1.402 ( -1.012 3.785 0.035) 3.918 1.457 ( 5.940 1.090 1.925) 6.338 1.560 ( -0.436 2.782 1.963) 3.432 1.726 ( -2.331 -0.779 1.240) 2.753 1.748 ( -3.645 -1.108 -2.194) 4.396 1.835 ( 4.219 -2.218 -2.545) 5.404 1.989 ( 7.938 -5.101 -4.430) 10.424 2.211 ( 3.631 -0.631 6.114) 7.139 2.250 ( -1.632 -2.983 -2.901) 4.470 2.444 ( -0.631 -0.435 -2.713) 2.819 2.609 ( 6.696 0.336 -10.380) 12.357 2.926 ( 2.884 8.129 -3.900) 9.466 3.182 ( 5.865 -6.470 -9.592) 12.972 3.563 ( -6.571 -1.257 4.083) 7.838 3.713 ( 4.048 0.097 4.795) 6.276 4.406 ( 3.662 1.313 -1.350) 4.118 5.176 ( -6.424 1.379 8.211) 10.516 5.214 ( -9.239 -1.087 8.666) 12.714 5.600 ( -6.943 1.004 10.455) 12.591 6.171 ( 0.405 -1.256 -5.103) 5.271 6.879 ( 2.526 -0.081 13.825) 14.054 7.831 ( -0.908 -0.499 -1.031) 1.461 8.081 ( -1.267 0.308 1.410) 1.921 9.861 ( 1.122 0.183 -1.342) 1.759 10.053 ( 1.144 0.938 1.830) 2.353 10.181 ( 6.434 -1.505 -1.011) 6.685 10.712 ( -3.900 1.493 1.405) 4.406 10.957 ( -4.246 -0.835 -5.955) 7.362 11.156 ( -2.177 1.294 -3.224) 4.100 11.342 ( 2.204 -0.602 0.643) 2.373 11.376 ( -0.578 -2.693 -2.648) 3.821 22.090 ( 1.495 0.405 -0.958) 1.822 22.150 ( -2.499 -1.023 -1.061) 2.901 22.528 ( -5.473 1.996 6.889) 9.022 22.887 ( 4.850 -1.784 9.726) 11.013 23.022 ( -1.652 2.626 -8.130) 8.702 23.498 ( -3.467 -2.405 2.716) 5.018 23.756 ( -0.369 5.266 -4.140) 6.709 24.137 ( 1.924 -5.155 -3.899) 6.744 ======================= Grid point 134 (45/216) ======================= q-point: (-0.18 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.677 ( 9.407 0.547 -0.700) 9.448 0.716 ( 8.607 -3.706 -3.948) 10.169 1.251 ( -5.182 0.667 -14.423) 15.341 1.337 ( 10.292 0.043 4.191) 11.113 1.397 ( 6.798 -0.816 -0.087) 6.848 1.614 ( 4.131 7.200 -2.169) 8.579 1.665 ( 3.792 1.689 -2.614) 4.905 1.713 ( 4.533 -4.399 -2.404) 6.758 1.779 ( 1.974 -6.096 -1.618) 6.609 1.870 ( -5.255 0.250 -4.529) 6.942 2.179 ( 3.069 -3.460 8.029) 9.266 2.232 ( 8.248 0.746 -21.252) 22.809 2.321 ( -5.157 -1.634 -3.008) 6.190 2.518 ( -1.249 0.517 -1.448) 1.981 2.899 ( 5.257 5.717 -0.627) 7.792 2.988 ( 5.243 -5.100 -5.751) 9.304 3.679 ( 5.644 0.185 7.658) 9.515 3.734 ( -10.184 -0.883 4.740) 11.268 4.372 ( 0.878 0.663 -1.236) 1.655 5.248 ( -2.669 1.579 -1.234) 3.338 5.515 ( -10.735 -1.183 19.808) 22.561 5.821 ( -8.458 0.840 12.983) 15.518 6.125 ( -0.900 -1.285 -4.875) 5.121 6.946 ( 2.324 0.015 15.168) 15.345 7.839 ( -1.143 -0.261 -0.554) 1.296 8.118 ( -1.826 0.222 1.126) 2.156 9.808 ( 2.990 -0.174 -4.878) 5.724 10.047 ( 3.298 2.173 2.535) 4.693 10.082 ( 4.597 -1.314 2.535) 5.412 10.769 ( -1.660 0.649 -0.949) 2.019 10.961 ( -4.951 -3.322 -9.242) 10.998 11.181 ( -2.489 3.187 -5.164) 6.559 11.314 ( 1.721 0.009 2.844) 3.324 11.357 ( -2.307 -3.473 -2.687) 4.961 22.056 ( 1.441 -0.172 -1.131) 1.839 22.203 ( -4.330 0.016 -0.044) 4.331 22.667 ( -3.650 0.962 6.959) 7.917 22.861 ( 5.013 -0.884 7.983) 9.468 23.007 ( -1.818 1.354 -7.598) 7.929 23.570 ( -4.526 -0.592 2.670) 5.288 23.782 ( -1.392 3.981 -3.041) 5.200 24.025 ( 2.499 -4.964 -5.638) 7.917 ======================= Grid point 135 (46/216) ======================= q-point: (-0.09 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.478 ( 13.179 0.000 -2.957) 13.507 0.531 ( 10.510 -0.000 -3.770) 11.166 1.129 ( 19.964 0.000 1.820) 20.047 1.217 ( -3.054 -0.000 -15.550) 15.847 1.248 ( 9.752 0.000 -1.202) 9.826 1.401 ( 11.500 -0.000 -9.656) 15.017 1.564 ( 10.256 -0.000 -14.927) 18.111 1.635 ( 1.324 -0.000 -2.060) 2.449 1.763 ( -2.717 -0.000 0.693) 2.804 1.830 ( -1.347 -0.000 -4.126) 4.341 2.161 ( -7.594 -0.000 -2.306) 7.937 2.175 ( 3.515 0.000 9.090) 9.746 2.390 ( -5.890 -0.000 -4.402) 7.354 2.543 ( -2.433 -0.000 -1.250) 2.735 2.807 ( 4.054 -0.000 -7.897) 8.876 2.899 ( 4.398 0.000 5.883) 7.345 3.642 ( 8.432 0.000 13.430) 15.858 3.915 ( -8.708 0.000 3.346) 9.329 4.361 ( -0.289 -0.000 -1.482) 1.510 5.278 ( -1.649 -0.000 -1.448) 2.195 5.767 ( -4.925 0.000 13.480) 14.352 6.043 ( -7.389 0.000 11.008) 13.258 6.135 ( -5.470 -0.000 -2.766) 6.130 7.021 ( 1.415 0.000 13.455) 13.529 7.854 ( -0.998 -0.000 -0.077) 1.001 8.155 ( -1.790 0.000 0.742) 1.938 9.701 ( 4.415 -0.000 -6.439) 7.807 10.019 ( 5.808 0.000 8.005) 9.890 10.051 ( 1.447 0.000 1.514) 2.094 10.755 ( 1.078 -0.000 -3.887) 4.034 10.940 ( -5.810 -0.000 -13.942) 15.105 11.208 ( -2.305 -0.000 -2.647) 3.510 11.330 ( -0.582 0.000 2.420) 2.489 11.356 ( -2.162 -0.000 -1.995) 2.942 22.030 ( 0.807 -0.000 -0.846) 1.169 22.275 ( -4.297 -0.000 0.324) 4.309 22.750 ( -0.697 0.000 5.443) 5.488 22.834 ( 3.872 0.000 5.134) 6.431 22.998 ( -2.627 -0.000 -6.095) 6.637 23.658 ( -4.136 0.000 2.201) 4.686 23.815 ( -1.836 -0.000 -0.982) 2.082 23.912 ( 1.847 -0.000 -8.007) 8.217 ======================= Grid point 136 (47/216) ======================= q-point: ( 0.00 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.455 ( 13.303 0.000 -0.000) 13.303 0.548 ( 15.685 0.000 -0.000) 15.685 1.096 ( -1.148 -0.000 0.000) 1.148 1.101 ( 31.133 0.000 -0.000) 31.133 1.240 ( 10.005 0.000 -0.000) 10.005 1.384 ( 13.698 0.000 -0.000) 13.698 1.401 ( 3.669 0.000 -0.000) 3.669 1.620 ( 1.256 0.000 -0.000) 1.256 1.768 ( -2.684 -0.000 0.000) 2.684 1.812 ( -2.997 -0.000 0.000) 2.997 2.146 ( -9.680 -0.000 0.000) 9.680 2.277 ( 4.965 0.000 -0.000) 4.965 2.330 ( -5.614 -0.000 0.000) 5.614 2.530 ( -2.035 -0.000 0.000) 2.035 2.745 ( 2.012 0.000 -0.000) 2.012 2.939 ( 3.668 0.000 -0.000) 3.668 3.769 ( 1.724 0.000 -0.000) 1.724 3.939 ( -8.801 -0.000 0.000) 8.801 4.347 ( -0.165 -0.000 0.000) 0.165 5.267 ( -1.469 -0.000 0.000) 1.469 5.874 ( 3.071 0.000 -0.000) 3.071 6.099 ( -11.781 -0.000 0.000) 11.781 6.125 ( -7.784 -0.000 0.000) 7.784 7.119 ( -0.014 -0.000 0.000) 0.014 7.855 ( -1.003 -0.000 0.000) 1.003 8.161 ( -1.779 -0.000 0.000) 1.779 9.653 ( 5.391 0.000 -0.000) 5.391 10.062 ( 1.437 0.000 -0.000) 1.437 10.102 ( 2.272 0.000 -0.000) 2.272 10.726 ( 2.511 0.000 -0.000) 2.511 10.807 ( -0.493 -0.000 0.000) 0.493 11.188 ( -3.179 -0.000 0.000) 3.179 11.341 ( -2.262 -0.000 0.000) 2.262 11.348 ( -0.449 -0.000 0.000) 0.449 22.024 ( 0.850 0.000 -0.000) 0.850 22.277 ( -4.448 -0.000 0.000) 4.448 22.802 ( 1.066 0.000 -0.000) 1.066 22.878 ( 4.852 0.000 -0.000) 4.852 22.941 ( -4.247 -0.000 0.000) 4.247 23.679 ( -4.193 -0.000 0.000) 4.193 23.808 ( -2.084 -0.000 0.000) 2.084 23.834 ( 3.823 0.000 -0.000) 3.823 ======================= Grid point 138 (48/216) ======================= q-point: ( 0.18 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.247 ( 0.000 9.196 7.808) 12.063 0.275 ( 0.000 6.824 11.784) 13.617 0.809 ( 0.000 12.149 29.384) 31.797 0.959 ( 0.000 -0.529 15.967) 15.976 1.112 ( 0.000 7.585 8.779) 11.602 1.241 ( 0.000 -0.784 18.005) 18.022 1.421 ( 0.000 7.254 1.978) 7.519 1.697 ( 0.000 6.360 2.481) 6.826 1.841 ( 0.000 0.315 0.260) 0.408 1.850 ( -0.000 -1.583 -0.819) 1.782 2.112 ( -0.000 -0.463 -5.907) 5.925 2.267 ( 0.000 -6.779 0.781) 6.824 2.559 ( -0.000 -0.023 -1.614) 1.614 2.569 ( 0.000 -9.032 -2.088) 9.270 2.796 ( -0.000 5.562 -7.821) 9.597 3.061 ( -0.000 20.874 -22.615) 30.777 3.129 ( 0.000 7.326 8.595) 11.294 4.073 ( -0.000 0.684 -3.260) 3.331 4.368 ( 0.000 0.242 1.674) 1.692 5.293 ( -0.000 -2.322 -3.408) 4.123 5.891 ( 0.000 -5.540 -1.417) 5.718 6.160 ( -0.000 -1.079 -11.293) 11.344 6.293 ( -0.000 4.282 -5.953) 7.334 6.995 ( -0.000 0.046 -16.424) 16.424 7.889 ( 0.000 1.193 1.272) 1.744 8.183 ( -0.000 -0.630 -0.644) 0.901 9.644 ( 0.000 2.923 8.673) 9.152 9.747 ( -0.000 -0.070 -1.047) 1.049 10.019 ( -0.000 -1.242 -0.744) 1.448 10.786 ( -0.000 3.374 -0.790) 3.465 11.137 ( 0.000 -10.227 1.504) 10.337 11.323 ( -0.000 -1.847 -3.394) 3.864 11.442 ( -0.000 6.822 -2.032) 7.118 11.489 ( 0.000 6.904 2.253) 7.262 22.024 ( 0.000 0.589 0.849) 1.033 22.344 ( -0.000 -1.178 -0.772) 1.408 22.766 ( -0.000 1.095 -4.200) 4.340 22.825 ( -0.000 0.226 -1.744) 1.759 23.023 ( 0.000 -0.770 2.441) 2.560 23.728 ( -0.000 -1.730 -3.793) 4.169 23.852 ( 0.000 0.382 2.506) 2.535 23.960 ( 0.000 -3.122 7.675) 8.286 ======================= Grid point 139 (49/216) ======================= q-point: ( 0.27 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.416 ( -4.895 7.727 6.274) 11.092 0.507 ( -9.324 5.212 10.868) 15.238 1.045 ( -8.434 3.973 5.217) 10.683 1.159 ( -4.383 2.108 10.297) 11.388 1.367 ( 0.365 -0.200 20.917) 20.921 1.423 ( -8.238 7.333 22.895) 25.413 1.516 ( -1.566 5.653 4.281) 7.262 1.772 ( 0.954 7.129 1.709) 7.393 1.828 ( -0.604 -1.629 5.690) 5.949 1.840 ( 0.126 3.555 1.676) 3.932 2.103 ( -3.511 0.395 -4.997) 6.120 2.184 ( 2.215 -7.141 1.608) 7.648 2.525 ( 1.147 -1.143 -1.864) 2.470 2.542 ( -2.832 -8.424 -0.163) 8.888 2.739 ( 4.760 7.126 -7.418) 11.335 3.003 ( 2.408 9.690 0.736) 10.012 3.393 ( -12.572 3.945 -5.725) 14.366 4.009 ( 4.670 0.367 -5.093) 6.920 4.379 ( 1.111 0.488 2.442) 2.727 5.232 ( 0.165 -5.756 -3.127) 6.552 5.786 ( 5.225 0.723 -9.057) 10.481 6.018 ( 4.089 -1.171 -15.679) 16.246 6.256 ( 2.777 5.284 -6.720) 8.989 6.866 ( -1.799 0.091 -21.855) 21.929 7.898 ( 1.574 1.853 1.836) 3.047 8.163 ( 1.068 -0.750 -0.816) 1.539 9.733 ( -1.236 1.372 6.482) 6.740 9.822 ( -6.697 0.818 2.079) 7.060 10.009 ( -1.096 -1.707 -0.834) 2.193 10.805 ( 0.462 1.469 0.849) 1.758 11.056 ( 1.076 -10.760 2.535) 11.107 11.274 ( 0.157 -2.296 -4.841) 5.360 11.405 ( 8.746 8.918 5.186) 13.525 11.542 ( 2.350 6.034 2.847) 7.074 22.039 ( -0.304 0.753 1.163) 1.418 22.308 ( 2.149 -1.440 -0.904) 2.740 22.746 ( 0.346 1.521 -5.255) 5.482 22.788 ( 1.312 0.330 -2.649) 2.975 23.029 ( 0.854 -1.571 2.775) 3.301 23.642 ( 2.585 -3.949 -4.057) 6.224 23.849 ( 3.390 1.711 5.099) 6.358 24.029 ( -2.929 2.135 3.707) 5.185 ======================= Grid point 140 (50/216) ======================= q-point: ( 0.36 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.607 ( -6.615 5.852 6.098) 10.733 0.766 ( -8.664 4.037 9.818) 13.702 1.211 ( -6.915 -0.564 0.938) 7.001 1.319 ( -3.798 6.397 6.759) 10.052 1.452 ( 5.188 -2.828 12.361) 13.700 1.491 ( 2.905 -2.260 3.741) 5.248 1.661 ( -1.450 3.265 4.196) 5.511 1.824 ( -1.711 6.722 1.383) 7.073 1.921 ( 0.157 1.497 3.291) 3.619 1.954 ( -2.506 3.450 7.461) 8.593 2.155 ( -2.155 1.152 -1.735) 2.997 2.259 ( -10.974 1.707 20.777) 23.559 2.471 ( 3.952 -6.075 1.870) 7.484 2.485 ( 1.842 0.673 -1.134) 2.266 2.702 ( -1.802 1.863 -6.830) 7.306 3.102 ( -3.072 5.659 6.282) 8.996 3.530 ( -8.002 1.365 -5.774) 9.962 3.865 ( 7.781 0.215 -7.059) 10.509 4.372 ( 2.141 0.522 1.801) 2.846 5.156 ( -0.588 -6.792 -4.822) 8.350 5.600 ( 9.411 2.659 -13.617) 16.765 5.805 ( 6.531 -0.945 -15.967) 17.277 6.218 ( 1.195 4.712 -6.048) 7.759 6.756 ( -4.651 0.625 -22.439) 22.924 7.898 ( 2.108 1.979 1.721) 3.365 8.129 ( 1.704 -0.594 -0.741) 1.951 9.792 ( -2.615 -0.649 1.019) 2.881 9.966 ( -4.014 2.006 5.405) 7.025 10.024 ( -3.596 -0.749 1.286) 3.891 10.793 ( 2.218 -0.263 -0.336) 2.259 10.979 ( 0.804 -9.320 3.641) 10.038 11.214 ( 0.412 -2.146 -5.134) 5.580 11.408 ( 5.270 7.650 6.359) 11.258 11.554 ( 4.301 4.675 3.346) 7.180 22.061 ( -0.553 0.704 1.326) 1.599 22.251 ( 2.775 -1.085 -0.441) 3.012 22.670 ( 5.158 0.285 -5.008) 7.195 22.782 ( -3.004 1.294 -5.839) 6.693 23.010 ( 1.329 -3.238 2.960) 4.584 23.559 ( 1.028 -3.179 -2.219) 4.011 23.842 ( 4.450 2.582 4.738) 6.995 24.121 ( -3.244 2.786 2.019) 4.728 ======================= Grid point 141 (51/216) ======================= q-point: ( 0.45 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( -7.266 4.452 5.933) 10.383 0.978 ( -4.764 3.887 9.493) 11.310 1.290 ( -2.833 -0.682 -0.157) 2.918 1.321 ( 6.830 -5.678 1.147) 8.955 1.420 ( -0.543 1.581 -0.676) 1.803 1.494 ( 2.889 -2.065 10.789) 11.358 1.756 ( -2.989 4.545 1.936) 5.774 1.843 ( 3.365 -2.436 0.488) 4.183 1.937 ( -1.297 5.659 3.807) 6.942 2.110 ( 0.431 2.256 4.978) 5.482 2.174 ( -2.867 4.088 -0.938) 5.080 2.420 ( 0.675 0.043 4.665) 4.714 2.435 ( 2.532 2.504 -0.738) 3.637 2.554 ( -3.799 0.128 1.325) 4.025 2.763 ( -6.068 -2.230 12.816) 14.354 3.272 ( -5.909 3.246 10.058) 12.108 3.601 ( -5.258 -0.036 -5.236) 7.420 3.692 ( 6.339 1.443 -7.533) 9.951 4.358 ( 0.789 0.318 1.422) 1.657 5.067 ( -1.390 -5.141 -10.875) 12.109 5.358 ( 11.859 2.584 -11.083) 16.437 5.592 ( 6.264 -1.516 -9.622) 11.581 6.198 ( -1.358 2.416 -8.637) 9.071 6.709 ( -6.468 1.943 -17.455) 18.716 7.886 ( 2.299 1.316 0.915) 2.802 8.094 ( 1.806 -0.088 -0.225) 1.822 9.827 ( -2.229 -0.636 -0.208) 2.327 10.007 ( -1.506 -0.998 -0.075) 1.808 10.165 ( -5.449 2.945 7.646) 9.840 10.725 ( 4.032 -2.327 -1.088) 4.781 10.935 ( -0.032 -6.333 2.777) 6.915 11.159 ( -0.001 -1.565 -4.817) 5.065 11.430 ( 3.750 5.074 4.257) 7.611 11.536 ( 4.978 3.280 3.932) 7.142 22.082 ( -0.298 0.182 0.961) 1.023 22.210 ( 1.441 0.034 0.933) 1.717 22.527 ( 7.112 -1.333 -5.199) 8.910 22.807 ( -4.337 2.317 -7.780) 9.204 22.992 ( -0.111 -4.228 3.593) 5.550 23.523 ( 0.436 -1.639 0.297) 1.722 23.815 ( 5.619 3.232 3.379) 7.310 24.198 ( -2.948 1.296 0.518) 3.262 ======================= Grid point 142 (52/216) ======================= q-point: ( 0.55 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( -6.082 1.014 4.396) 7.573 1.081 ( 5.392 2.252 6.346) 8.626 1.179 ( 1.767 -1.262 0.568) 2.245 1.359 ( -3.956 -1.710 2.530) 4.998 1.391 ( 0.568 -1.577 -2.627) 3.116 1.526 ( -0.081 -0.844 6.581) 6.636 1.738 ( 4.396 -1.972 1.516) 5.051 1.827 ( 3.370 1.835 -0.550) 3.876 2.013 ( 2.532 5.123 1.767) 5.982 2.098 ( -2.742 -2.597 3.558) 5.188 2.258 ( 0.840 5.300 -0.408) 5.382 2.395 ( 1.611 -0.203 -0.937) 1.874 2.510 ( -1.934 4.566 2.322) 5.475 2.544 ( -1.408 -0.052 -1.215) 1.860 2.891 ( 0.746 -2.543 9.749) 10.103 3.426 ( -3.161 -1.401 4.494) 5.669 3.561 ( 2.619 1.826 -4.889) 5.839 3.692 ( -3.963 3.019 -0.446) 5.002 4.405 ( -4.088 -0.321 6.033) 7.295 4.966 ( -1.059 -0.805 -14.880) 14.940 5.123 ( 8.625 -0.303 -8.746) 12.287 5.473 ( 3.512 -1.727 2.365) 4.573 6.168 ( -3.454 -0.104 -12.756) 13.215 6.739 ( -6.472 3.025 -8.778) 11.318 7.861 ( 1.851 0.248 -0.083) 1.869 8.070 ( 1.477 0.535 0.542) 1.662 9.852 ( -1.471 -0.242 -0.014) 1.491 10.023 ( -1.336 -0.317 -0.122) 1.379 10.318 ( -3.733 2.462 7.060) 8.357 10.628 ( 4.305 -2.672 -0.302) 5.076 10.910 ( -0.664 -4.294 0.436) 4.367 11.121 ( -0.695 -0.839 -4.753) 4.876 11.424 ( 3.547 2.634 1.521) 4.673 11.511 ( 4.475 1.929 3.792) 6.174 22.082 ( 0.472 -0.442 0.165) 0.667 22.233 ( -1.591 1.520 3.179) 3.866 22.368 ( 6.456 -1.913 -4.271) 7.974 22.840 ( -4.622 3.213 -9.002) 10.617 22.998 ( -1.023 -4.323 4.814) 6.551 23.514 ( 0.846 -1.167 2.505) 2.890 23.768 ( 5.744 3.877 1.198) 7.033 24.238 ( -2.087 -1.010 -1.116) 2.573 ======================= Grid point 143 (53/216) ======================= q-point: (-0.36 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( 3.824 -1.613 -0.410) 4.170 1.069 ( -1.432 -3.126 -0.723) 3.513 1.204 ( 3.885 6.136 5.532) 9.129 1.366 ( -0.173 -2.539 1.416) 2.912 1.436 ( -4.761 -2.108 4.468) 6.861 1.575 ( -1.112 1.148 2.205) 2.723 1.666 ( 3.947 -0.685 0.846) 4.094 1.756 ( 3.431 -0.628 -0.668) 3.551 1.960 ( 3.599 -0.269 -2.027) 4.139 2.174 ( 0.209 0.675 1.243) 1.430 2.234 ( 2.599 2.706 -0.616) 3.802 2.383 ( 0.228 -0.184 2.220) 2.239 2.485 ( 1.310 -2.865 -2.491) 4.016 2.672 ( -2.324 6.653 7.156) 10.043 2.853 ( 4.317 -0.314 -3.566) 5.608 3.411 ( 0.985 -4.867 -6.012) 7.798 3.513 ( 1.320 1.020 -2.203) 2.764 3.759 ( 0.172 3.520 1.641) 3.888 4.520 ( 0.109 0.581 5.916) 5.945 4.918 ( -3.718 -0.594 2.556) 4.551 5.015 ( -4.545 -0.790 -10.208) 11.202 5.476 ( 0.116 -1.083 8.712) 8.780 6.127 ( -4.557 -1.320 -14.357) 15.120 6.825 ( -5.278 2.886 -0.893) 6.081 7.835 ( 0.830 -0.512 -0.639) 1.166 8.064 ( 0.764 0.845 1.040) 1.543 9.869 ( -0.578 0.010 0.229) 0.622 10.042 ( -0.823 0.738 0.314) 1.149 10.383 ( 2.912 -0.404 3.091) 4.266 10.588 ( -0.829 -0.171 3.871) 3.963 10.892 ( -1.457 -2.999 -1.867) 3.822 11.097 ( -1.374 -0.221 -5.258) 5.440 11.391 ( 2.681 0.801 -0.212) 2.806 11.475 ( 4.156 0.562 2.222) 4.746 22.075 ( -0.170 -0.301 0.089) 0.357 22.238 ( 4.815 -1.366 -2.739) 5.705 22.326 ( -4.233 2.098 4.997) 6.877 22.872 ( -4.135 3.725 -9.361) 10.890 23.018 ( -0.371 -3.683 6.160) 7.186 23.510 ( 1.045 -1.876 4.065) 4.597 23.720 ( 4.337 4.733 -1.430) 6.577 24.230 ( -0.870 -3.440 -2.691) 4.453 ======================= Grid point 144 (54/216) ======================= q-point: (-0.27 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( 3.584 0.052 1.780) 4.002 0.998 ( 3.412 -4.960 -3.348) 6.888 1.202 ( 4.182 2.943 -0.307) 5.123 1.370 ( 0.187 0.958 2.889) 3.049 1.527 ( -0.601 0.052 7.187) 7.212 1.578 ( 3.727 2.613 0.312) 4.562 1.637 ( -3.270 -0.869 -0.698) 3.455 1.745 ( -2.171 -1.707 0.300) 2.778 1.902 ( 2.304 -1.867 0.252) 2.976 2.089 ( 6.840 1.553 -4.877) 8.544 2.230 ( 1.848 -0.974 1.838) 2.782 2.378 ( 4.137 -4.329 4.341) 7.396 2.424 ( -0.219 -0.445 -1.585) 1.661 2.656 ( 8.590 -0.882 -10.255) 13.407 2.838 ( -2.228 7.336 -0.153) 7.668 3.250 ( 5.379 -4.279 -10.110) 12.225 3.519 ( -2.951 -1.626 1.429) 3.660 3.778 ( 1.866 2.143 2.699) 3.919 4.465 ( 6.181 1.168 -0.849) 6.347 5.067 ( -7.152 2.284 -5.711) 9.433 5.145 ( -13.329 -3.010 18.065) 22.651 5.572 ( -4.513 -0.261 9.621) 10.630 6.086 ( -4.345 -1.440 -13.344) 14.107 6.929 ( -3.566 1.962 4.304) 5.924 7.820 ( -0.241 -0.718 -0.661) 1.005 8.074 ( -0.209 0.791 1.082) 1.356 9.869 ( 0.670 -0.047 -0.383) 0.773 10.063 ( 0.030 1.510 0.941) 1.779 10.300 ( 6.786 -1.304 1.302) 7.032 10.673 ( -3.349 0.580 5.827) 6.746 10.882 ( -2.474 -2.365 -3.563) 4.941 11.083 ( -1.893 0.499 -6.296) 6.593 11.356 ( 0.895 -0.794 -1.264) 1.740 11.421 ( 3.999 -0.320 0.911) 4.114 22.087 ( -1.087 0.160 0.303) 1.140 22.151 ( 2.660 -1.212 -1.869) 3.470 22.470 ( -5.781 2.580 6.870) 9.342 22.894 ( -3.200 3.573 -9.117) 10.302 23.030 ( 2.031 -2.491 7.112) 7.805 23.513 ( -0.202 -2.771 4.293) 5.113 23.693 ( 1.991 5.636 -3.338) 6.846 24.172 ( 0.459 -5.558 -3.858) 6.781 ======================= Grid point 145 (55/216) ======================= q-point: (-0.18 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( 6.601 -4.099 -3.317) 8.448 0.869 ( 8.146 -0.166 6.043) 10.144 1.135 ( 1.837 0.584 -5.654) 5.973 1.415 ( -0.687 2.253 1.266) 2.674 1.490 ( 7.119 2.769 2.462) 8.026 1.603 ( 0.270 3.997 3.637) 5.410 1.735 ( -6.577 -1.522 1.335) 6.882 1.736 ( 2.388 -1.948 -0.013) 3.082 1.823 ( 5.666 -1.907 0.770) 6.028 1.922 ( 8.518 -3.616 -4.879) 10.461 2.206 ( 1.270 -1.194 -3.953) 4.320 2.274 ( 7.178 -3.461 -9.464) 12.372 2.346 ( 5.365 -2.529 1.569) 6.135 2.488 ( 0.038 0.625 -2.124) 2.214 2.878 ( 1.545 3.697 -5.514) 6.816 3.081 ( 5.212 -2.425 -3.148) 6.554 3.612 ( -8.523 -1.598 2.437) 9.007 3.780 ( 2.593 1.381 3.887) 4.873 4.389 ( 3.291 0.774 -1.071) 3.546 5.162 ( -4.973 2.932 -2.005) 6.112 5.479 ( -13.618 -2.770 19.394) 23.859 5.748 ( -8.748 0.624 8.385) 12.133 6.046 ( -3.300 -1.302 -11.741) 12.266 7.024 ( -1.879 0.952 6.412) 6.750 7.822 ( -0.942 -0.454 -0.359) 1.105 8.097 ( -1.156 0.559 0.790) 1.508 9.834 ( 2.731 -0.363 -1.805) 3.294 10.077 ( 0.988 1.667 1.383) 2.381 10.195 ( 6.708 0.065 2.009) 7.002 10.754 ( -1.865 -0.545 3.980) 4.429 10.877 ( -3.373 -3.992 -4.504) 6.899 11.078 ( -2.123 2.693 -6.364) 7.229 11.334 ( -1.191 -2.445 -1.707) 3.211 11.366 ( 3.045 -0.235 1.004) 3.215 22.081 ( 2.243 -0.065 -0.396) 2.279 22.139 ( -3.343 -0.426 -0.446) 3.400 22.636 ( -5.480 2.148 7.975) 9.912 22.899 ( -2.406 2.629 -8.752) 9.450 23.010 ( 4.779 -1.386 6.622) 8.283 23.542 ( -2.792 -2.503 3.287) 4.987 23.701 ( 0.013 6.307 -3.474) 7.201 24.074 ( 1.673 -7.058 -4.221) 8.393 ======================= Grid point 146 (56/216) ======================= q-point: (-0.09 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.665 ( 10.643 -2.488 -1.668) 11.056 0.752 ( 12.211 -0.482 5.704) 13.486 1.094 ( -1.574 0.162 -5.910) 6.118 1.375 ( 7.600 1.974 0.579) 7.873 1.439 ( 7.218 -1.167 5.468) 9.130 1.550 ( 14.955 1.092 -5.249) 15.887 1.629 ( 8.852 4.185 -2.678) 10.151 1.701 ( 4.847 -4.695 -0.160) 6.750 1.764 ( 1.684 -3.305 -0.695) 3.774 1.790 ( 5.071 -0.086 -4.904) 7.055 2.002 ( -6.793 -0.162 -7.482) 10.107 2.258 ( -4.932 -5.598 1.621) 7.635 2.334 ( 2.395 0.886 3.448) 4.291 2.503 ( -1.677 -0.115 -0.547) 1.767 2.800 ( 2.927 1.059 -6.497) 7.204 2.997 ( 4.249 -0.606 1.675) 4.607 3.773 ( -2.675 0.879 3.584) 4.558 3.780 ( -5.212 -0.240 2.250) 5.682 4.355 ( 0.936 0.329 -0.852) 1.308 5.232 ( -2.766 1.500 -0.648) 3.212 5.786 ( -9.064 -1.115 17.097) 19.383 5.954 ( -9.151 1.509 3.744) 10.002 6.006 ( -5.057 -2.083 -10.420) 11.768 7.093 ( -0.702 0.285 5.094) 5.150 7.836 ( -1.182 0.000 -0.006) 1.182 8.129 ( -1.770 0.294 0.385) 1.835 9.751 ( 5.048 -0.477 -2.205) 5.529 10.078 ( 1.482 1.124 1.047) 2.134 10.128 ( 4.909 2.044 2.702) 5.965 10.776 ( 0.366 -2.557 1.981) 3.255 10.838 ( -1.852 -5.260 -6.845) 8.829 11.118 ( -3.152 4.714 -2.663) 6.266 11.327 ( -2.211 -3.377 -1.164) 4.201 11.344 ( 0.836 0.211 1.068) 1.373 22.045 ( 1.576 -0.190 -0.353) 1.627 22.203 ( -4.588 0.080 0.012) 4.589 22.772 ( -1.991 1.180 7.328) 7.685 22.895 ( -3.288 1.198 -7.467) 8.247 22.955 ( 5.601 -0.855 3.829) 6.839 23.605 ( -4.553 -1.317 1.853) 5.089 23.744 ( -0.995 6.952 -1.980) 7.296 23.951 ( 2.578 -7.711 -3.395) 8.811 ======================= Grid point 150 (57/216) ======================= q-point: ( 0.27 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.342 ( 0.000 12.167 6.439) 13.766 0.403 ( 0.000 8.436 6.588) 10.704 1.059 ( 0.000 -2.728 7.073) 7.581 1.217 ( 0.000 2.626 14.297) 14.536 1.446 ( 0.000 9.824 29.336) 30.937 1.502 ( 0.000 1.497 13.179) 13.264 1.547 ( 0.000 -1.452 19.930) 19.983 1.763 ( 0.000 6.507 7.390) 9.846 1.859 ( 0.000 -0.871 3.527) 3.633 1.861 ( 0.000 -2.519 4.306) 4.989 2.018 ( -0.000 3.851 -4.431) 5.871 2.280 ( 0.000 -7.209 1.280) 7.322 2.490 ( -0.000 0.188 -8.973) 8.975 2.539 ( -0.000 -1.613 -1.797) 2.414 2.746 ( 0.000 -0.431 2.028) 2.074 2.880 ( -0.000 15.734 -4.293) 16.310 3.236 ( 0.000 4.496 5.847) 7.376 3.996 ( -0.000 0.949 -7.248) 7.310 4.405 ( 0.000 0.777 3.514) 3.599 5.268 ( 0.000 -7.739 -1.771) 7.939 5.752 ( -0.000 1.883 -15.122) 15.239 5.920 ( -0.000 -0.410 -21.578) 21.582 6.178 ( -0.000 3.450 -9.681) 10.277 6.659 ( -0.000 0.697 -28.983) 28.992 7.914 ( 0.000 1.469 2.038) 2.512 8.169 ( -0.000 -0.399 -1.339) 1.397 9.731 ( -0.000 -0.138 -0.987) 0.996 9.817 ( 0.000 2.182 14.748) 14.908 9.996 ( -0.000 -0.106 -2.294) 2.296 10.837 ( 0.000 -1.634 6.983) 7.172 11.161 ( 0.000 -8.139 1.011) 8.202 11.260 ( -0.000 -4.040 -4.797) 6.271 11.439 ( -0.000 7.828 1.159) 7.914 11.526 ( 0.000 7.336 2.600) 7.783 22.042 ( 0.000 0.405 1.705) 1.752 22.327 ( -0.000 -1.120 -1.558) 1.919 22.702 ( -0.000 0.558 -4.206) 4.243 22.789 ( -0.000 0.219 -3.072) 3.080 23.085 ( 0.000 -3.740 5.465) 6.622 23.665 ( -0.000 -4.492 -4.711) 6.509 23.886 ( 0.000 3.064 2.242) 3.797 24.019 ( 0.000 1.025 1.396) 1.732 ======================= Grid point 151 (58/216) ======================= q-point: ( 0.36 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.492 ( -4.439 9.661 5.102) 11.793 0.669 ( -11.420 6.101 9.841) 16.263 1.122 ( -4.942 -1.672 5.151) 7.331 1.304 ( 3.585 9.117 7.594) 12.396 1.592 ( 1.245 -5.033 7.474) 9.096 1.642 ( 0.103 -0.710 9.291) 9.319 1.666 ( -2.076 2.255 12.727) 13.091 1.810 ( 5.771 2.383 6.555) 9.053 1.882 ( -1.569 5.556 6.821) 8.936 1.982 ( -2.122 -0.660 2.289) 3.190 2.116 ( -3.722 1.415 10.605) 11.328 2.269 ( -5.715 -2.245 16.806) 17.893 2.477 ( -1.684 -0.618 -5.867) 6.135 2.530 ( -2.770 0.264 -1.682) 3.251 2.677 ( 7.909 0.960 1.858) 8.181 3.018 ( -5.655 7.011 2.625) 9.382 3.356 ( -6.392 3.052 -0.837) 7.132 3.904 ( 4.570 0.261 -9.422) 10.475 4.424 ( 2.271 0.961 3.730) 4.472 5.159 ( -0.245 -9.534 -9.015) 13.124 5.624 ( 7.194 4.984 -10.952) 14.019 5.734 ( 1.941 0.406 -22.797) 22.883 6.134 ( -0.037 3.544 -10.070) 10.675 6.478 ( -4.264 1.167 -30.670) 30.987 7.929 ( 1.758 2.011 2.302) 3.526 8.147 ( 1.023 -0.297 -1.402) 1.761 9.751 ( -2.955 -0.709 -0.810) 3.145 9.963 ( -1.734 1.768 10.774) 11.055 9.991 ( -1.821 0.472 1.620) 2.482 10.852 ( 1.657 -2.846 5.169) 6.129 11.097 ( 0.350 -9.951 2.800) 10.344 11.187 ( -0.169 -3.085 -7.151) 7.790 11.470 ( 4.912 8.175 3.954) 10.324 11.584 ( 2.204 6.450 2.734) 7.344 22.061 ( -0.296 0.447 1.923) 1.996 22.290 ( 1.650 -1.353 -1.535) 2.628 22.674 ( 0.646 0.873 -4.358) 4.492 22.743 ( 2.355 0.290 -3.496) 4.225 23.083 ( 0.856 -4.527 4.246) 6.265 23.577 ( 0.602 -4.962 -4.771) 6.910 23.912 ( 2.721 3.426 3.716) 5.740 24.065 ( -2.083 3.296 1.179) 4.074 ======================= Grid point 152 (59/216) ======================= q-point: ( 0.45 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.695 ( -7.427 6.344 5.766) 11.343 0.932 ( -7.962 1.249 11.395) 13.957 1.232 ( -5.650 -1.373 1.740) 6.069 1.379 ( 1.435 9.644 1.723) 9.901 1.524 ( 6.888 -5.639 5.743) 10.593 1.665 ( 1.157 -2.106 6.838) 7.248 1.728 ( 3.574 -1.525 9.624) 10.379 1.852 ( -2.282 6.372 2.776) 7.316 1.937 ( 2.250 -3.646 -0.664) 4.336 2.062 ( -4.266 7.658 8.400) 12.141 2.152 ( 1.508 0.999 1.582) 2.404 2.435 ( 0.118 -0.663 -2.298) 2.395 2.484 ( -2.676 -0.277 -3.752) 4.617 2.571 ( 7.708 0.665 9.849) 12.524 2.753 ( -11.369 1.480 24.012) 26.608 3.203 ( -7.405 4.110 7.887) 11.573 3.453 ( -6.858 0.353 -5.045) 8.520 3.730 ( 7.047 -0.012 -11.529) 13.512 4.404 ( 3.448 0.878 2.831) 4.547 4.993 ( -0.351 -7.707 -18.171) 19.741 5.452 ( 10.918 3.992 -7.883) 14.045 5.580 ( 0.681 0.860 -12.460) 12.508 6.078 ( -1.058 0.712 -13.896) 13.955 6.398 ( -9.161 4.019 -25.154) 27.070 7.924 ( 2.619 1.635 1.855) 3.602 8.116 ( 1.578 0.265 -0.990) 1.881 9.789 ( -2.929 -0.745 -0.414) 3.050 9.982 ( -1.509 -0.441 -2.052) 2.585 10.146 ( -3.448 2.659 13.356) 14.048 10.811 ( 3.645 -3.339 2.437) 5.511 11.031 ( 0.506 -10.032 3.032) 10.492 11.121 ( -0.871 -2.014 -7.396) 7.714 11.485 ( 4.974 7.025 4.185) 9.571 11.602 ( 3.925 5.070 3.132) 7.136 22.084 ( -0.426 0.236 1.911) 1.972 22.243 ( 1.761 -0.948 -0.730) 2.129 22.604 ( 5.535 0.310 -4.004) 6.838 22.700 ( -0.805 1.056 -5.295) 5.459 23.051 ( 0.154 -6.152 2.491) 6.638 23.524 ( -0.784 -1.918 -2.416) 3.183 23.909 ( 4.708 2.805 4.408) 7.033 24.137 ( -2.785 2.892 0.076) 4.016 ======================= Grid point 153 (60/216) ======================= q-point: ( 0.55 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( -7.155 3.345 6.574) 10.276 1.117 ( -6.161 0.230 7.975) 10.080 1.286 ( -0.068 0.934 -0.225) 0.963 1.340 ( 7.771 -4.875 0.620) 9.195 1.430 ( 3.764 -0.218 4.358) 5.762 1.657 ( 4.512 -3.877 10.221) 11.826 1.788 ( -1.457 3.795 2.797) 4.934 1.859 ( 1.665 -2.882 1.853) 3.810 1.979 ( -2.851 5.726 1.991) 6.699 2.108 ( 2.043 -0.220 -2.964) 3.607 2.225 ( -0.389 6.449 5.149) 8.261 2.402 ( 0.689 -0.301 -2.959) 3.053 2.465 ( -1.892 -0.174 -6.632) 6.899 2.577 ( 5.035 4.863 14.475) 16.079 3.006 ( -0.501 -2.690 13.911) 14.178 3.404 ( -4.029 1.260 5.783) 7.160 3.525 ( -5.639 -0.302 -4.685) 7.337 3.578 ( -0.040 3.289 -6.238) 7.052 4.412 ( -0.705 0.857 7.139) 7.225 4.820 ( -3.477 -5.610 -19.660) 20.739 5.225 ( 12.101 1.703 -8.997) 15.174 5.545 ( 0.622 0.114 2.107) 2.200 5.985 ( -4.360 -2.260 -20.300) 20.885 6.463 ( -11.385 6.523 -15.460) 20.277 7.898 ( 2.780 0.439 0.760) 2.915 8.091 ( 1.719 1.139 -0.098) 2.065 9.825 ( -2.234 -0.316 0.264) 2.271 9.991 ( -1.784 0.036 -1.934) 2.632 10.312 ( -3.084 2.303 11.993) 12.595 10.728 ( 4.625 -3.450 1.172) 5.888 10.964 ( 0.058 -8.165 0.455) 8.178 11.073 ( -0.950 -1.538 -6.098) 6.360 11.478 ( 5.066 4.892 2.278) 7.402 11.591 ( 4.692 3.502 3.380) 6.761 22.098 ( 0.289 -0.571 1.176) 1.338 22.226 ( -0.345 0.373 1.205) 1.308 22.464 ( 7.551 -0.872 -3.555) 8.391 22.699 ( -2.571 2.393 -6.822) 7.673 23.032 ( -2.396 -6.423 2.006) 7.143 23.524 ( -0.288 1.291 -0.112) 1.328 23.870 ( 6.292 1.703 4.193) 7.750 24.192 ( -2.616 0.801 -1.324) 3.039 ======================= Grid point 154 (61/216) ======================= q-point: ( 0.64 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( -3.642 -0.892 5.251) 6.453 1.124 ( 9.778 -4.848 0.656) 10.934 1.244 ( -1.150 2.273 6.600) 7.075 1.314 ( -2.497 1.169 -4.847) 5.577 1.434 ( -2.388 -1.456 3.576) 4.540 1.627 ( 3.464 -2.485 7.037) 8.228 1.781 ( 5.241 -1.060 4.457) 6.961 1.826 ( 3.681 -1.228 0.840) 3.970 2.004 ( 4.446 1.504 -2.504) 5.320 2.133 ( -5.009 2.599 0.848) 5.706 2.253 ( 3.109 3.828 0.064) 4.932 2.382 ( -0.475 0.907 -1.034) 1.455 2.467 ( -1.586 0.576 -2.779) 3.251 2.680 ( 1.882 6.662 13.735) 15.381 2.955 ( 7.757 -2.507 -0.881) 8.200 3.400 ( 0.071 -3.207 -8.028) 8.645 3.506 ( 0.335 0.867 -1.466) 1.735 3.702 ( -3.721 5.682 0.973) 6.861 4.552 ( -3.703 0.919 12.239) 12.820 4.772 ( -10.085 -4.347 -9.918) 14.798 5.007 ( 6.973 -0.742 -4.323) 8.238 5.565 ( 1.316 -0.673 7.490) 7.635 5.904 ( -7.857 -2.934 -22.404) 23.922 6.618 ( -11.403 6.466 -7.674) 15.189 7.860 ( 2.068 -0.564 -0.083) 2.145 8.079 ( 1.518 1.596 0.562) 2.273 9.857 ( -1.348 0.005 0.709) 1.523 10.011 ( -1.671 1.036 -1.311) 2.363 10.440 ( -0.457 1.199 9.129) 9.219 10.645 ( 3.117 -2.558 2.551) 4.771 10.906 ( -0.697 -6.429 -1.457) 6.629 11.035 ( -0.940 -0.681 -6.327) 6.432 11.439 ( 4.805 2.750 0.584) 5.567 11.558 ( 4.993 1.892 2.549) 5.917 22.087 ( 0.606 -1.037 0.469) 1.289 22.282 ( -3.347 1.564 3.414) 5.030 22.319 ( 6.635 -0.872 -2.507) 7.146 22.718 ( -3.282 3.444 -7.659) 9.016 23.049 ( -3.676 -5.726 2.408) 7.218 23.543 ( 1.018 3.368 1.457) 3.808 23.800 ( 6.833 0.483 3.026) 7.488 24.210 ( -1.949 -1.973 -2.563) 3.777 ======================= Grid point 155 (62/216) ======================= q-point: (-0.27 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( 4.929 -0.273 -0.048) 4.937 1.059 ( 1.339 -5.947 -0.481) 6.115 1.274 ( 4.925 3.951 3.892) 7.418 1.357 ( -3.670 0.215 -1.254) 3.884 1.524 ( -5.999 -0.703 3.193) 6.833 1.613 ( 2.012 0.152 2.638) 3.321 1.703 ( 6.894 0.406 4.888) 8.461 1.757 ( 2.947 -2.722 1.708) 4.360 1.938 ( 1.607 -0.788 -0.814) 1.966 2.137 ( 5.962 3.869 -3.946) 8.129 2.272 ( -0.678 0.092 3.463) 3.530 2.411 ( -1.249 0.793 0.598) 1.595 2.457 ( 1.030 -0.687 -0.675) 1.411 2.743 ( 8.880 0.486 -9.370) 12.919 2.808 ( 2.546 3.003 10.505) 11.219 3.267 ( 3.581 -1.914 -11.920) 12.593 3.510 ( -1.188 -1.538 0.756) 2.085 3.777 ( -0.256 4.528 0.868) 4.618 4.574 ( 7.892 1.145 1.988) 8.219 4.853 ( -10.923 -0.399 -8.817) 14.043 5.100 ( -12.254 -4.000 18.291) 22.377 5.603 ( -0.552 -1.078 7.230) 7.330 5.867 ( -9.295 -1.982 -20.282) 22.398 6.801 ( -9.702 4.969 -1.915) 11.067 7.828 ( 0.861 -0.951 -0.322) 1.322 8.077 ( 0.861 1.481 0.681) 1.844 9.874 ( -0.196 -0.050 0.445) 0.489 10.041 ( -1.171 2.058 -0.341) 2.392 10.428 ( 6.195 -1.059 2.692) 6.837 10.676 ( -2.555 -0.440 7.794) 8.214 10.863 ( -1.466 -5.030 -2.165) 5.669 11.001 ( -1.211 0.415 -7.309) 7.420 11.386 ( 3.562 0.807 -0.395) 3.673 11.501 ( 5.025 0.590 1.269) 5.216 22.079 ( -0.404 -0.906 0.316) 1.041 22.208 ( 4.880 -0.571 -1.446) 5.121 22.402 ( -5.683 2.464 5.134) 8.045 22.745 ( -3.290 4.043 -7.666) 9.271 23.083 ( -3.005 -4.441 2.836) 6.067 23.565 ( 2.002 3.926 2.978) 5.318 23.712 ( 5.680 -0.002 0.334) 5.690 24.185 ( -0.979 -4.769 -3.022) 5.730 ======================= Grid point 156 (63/216) ======================= q-point: (-0.18 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( 2.497 -1.706 0.414) 3.052 0.956 ( 2.768 -2.261 -1.520) 3.884 1.202 ( 8.464 2.345 0.136) 8.783 1.394 ( -0.564 2.175 0.531) 2.309 1.591 ( 1.725 0.902 1.398) 2.397 1.613 ( 2.025 0.968 -0.920) 2.426 1.682 ( -2.199 -0.707 9.688) 9.959 1.745 ( -2.318 -1.942 -0.548) 3.073 1.916 ( 1.518 -1.614 1.092) 2.470 2.011 ( 9.299 3.369 -5.283) 11.213 2.257 ( 2.570 -3.504 1.175) 4.502 2.383 ( 4.688 -0.617 0.619) 4.769 2.452 ( 6.659 -2.669 -2.813) 7.706 2.492 ( 3.958 -0.781 -4.332) 5.920 2.854 ( 1.874 1.897 0.794) 2.782 3.132 ( 3.689 0.128 -4.954) 6.178 3.537 ( -4.338 -2.537 0.757) 5.082 3.807 ( 1.047 3.037 1.168) 3.418 4.456 ( 6.676 0.465 -0.392) 6.703 5.002 ( -9.909 3.212 -2.515) 10.716 5.414 ( -14.412 -5.053 15.758) 21.944 5.682 ( -5.333 -1.041 4.880) 7.303 5.869 ( -7.585 -0.178 -14.332) 16.216 6.964 ( -6.830 2.982 0.945) 7.512 7.814 ( -0.273 -0.822 -0.195) 0.888 8.085 ( -0.111 1.067 0.414) 1.150 9.864 ( 1.447 -0.302 -0.175) 1.489 10.072 ( -0.289 2.336 0.293) 2.372 10.322 ( 7.482 -0.396 1.137) 7.579 10.765 ( -2.471 -1.841 5.247) 6.085 10.847 ( -2.720 -4.332 -0.491) 5.138 10.980 ( -1.434 2.493 -6.567) 7.170 11.340 ( 1.374 -1.004 -0.642) 1.819 11.432 ( 4.417 -0.044 0.469) 4.442 22.093 ( -1.818 -0.542 0.379) 1.935 22.131 ( 3.352 -0.339 -0.823) 3.468 22.567 ( -7.229 2.609 5.643) 9.534 22.773 ( -2.455 3.939 -6.518) 8.002 23.101 ( 0.049 -2.638 2.498) 3.633 23.581 ( 1.822 -0.451 4.826) 5.179 23.644 ( 2.311 4.257 -3.668) 6.076 24.123 ( 0.213 -7.005 -2.189) 7.343 ======================= Grid point 157 (64/216) ======================= q-point: (-0.09 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.820 ( 5.886 -5.212 -0.000) 7.862 0.921 ( 6.412 1.890 0.000) 6.685 1.096 ( 5.039 1.123 0.000) 5.163 1.426 ( -0.745 1.296 0.000) 1.495 1.512 ( 7.008 2.692 0.000) 7.507 1.633 ( 0.232 4.572 0.000) 4.578 1.733 ( 1.313 -2.046 -0.000) 2.431 1.807 ( 13.884 0.731 0.000) 13.903 1.819 ( -7.855 -1.145 -0.000) 7.937 1.857 ( 3.115 -4.448 -0.000) 5.430 2.093 ( 20.103 -4.701 0.000) 20.646 2.223 ( -2.793 -4.987 -0.000) 5.716 2.385 ( 2.104 2.171 0.000) 3.023 2.494 ( -0.659 -1.693 -0.000) 1.817 2.812 ( 2.674 0.114 0.000) 2.677 3.067 ( 3.744 0.349 0.000) 3.761 3.630 ( -8.987 -1.657 -0.000) 9.139 3.810 ( 1.804 2.098 0.000) 2.767 4.380 ( 3.225 0.426 0.000) 3.253 5.146 ( -5.600 3.292 0.000) 6.496 5.675 ( -15.140 -3.873 -0.000) 15.628 5.822 ( -10.062 -1.150 -0.000) 10.128 5.896 ( -2.649 1.151 -0.000) 2.889 7.070 ( -3.586 1.265 -0.000) 3.803 7.819 ( -0.977 -0.373 -0.000) 1.046 8.103 ( -1.103 0.632 0.000) 1.271 9.820 ( 3.570 -0.541 0.000) 3.610 10.087 ( 0.689 1.770 0.000) 1.900 10.214 ( 6.786 1.237 0.000) 6.898 10.792 ( -1.473 -2.033 -0.000) 2.511 10.845 ( -1.979 -6.920 -0.000) 7.197 11.018 ( -2.454 5.304 0.000) 5.844 11.320 ( -1.002 -2.629 -0.000) 2.813 11.375 ( 2.826 0.038 0.000) 2.826 22.078 ( 2.526 -0.211 0.000) 2.534 22.136 ( -3.636 -0.221 -0.000) 3.642 22.735 ( -7.621 1.788 -0.000) 7.828 22.795 ( -0.543 3.068 0.000) 3.116 23.061 ( 4.274 -1.211 0.000) 4.443 23.575 ( -2.256 -3.596 -0.000) 4.245 23.668 ( 0.426 8.122 0.000) 8.133 24.039 ( 1.524 -8.208 -0.000) 8.348 ======================= Grid point 160 (65/216) ======================= q-point: ( 0.18 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.537 ( 12.527 0.000 5.095) 13.524 0.708 ( 4.364 0.000 17.311) 17.852 1.091 ( 9.506 0.000 -1.254) 9.588 1.272 ( 9.208 0.000 2.078) 9.440 1.495 ( -6.519 0.000 20.755) 21.754 1.559 ( 8.462 0.000 11.889) 14.593 1.676 ( 0.899 0.000 3.127) 3.254 1.708 ( -0.551 0.000 3.387) 3.432 1.752 ( -1.932 -0.000 -0.344) 1.962 1.992 ( -1.030 0.000 12.621) 12.663 2.054 ( 3.399 -0.000 -6.676) 7.491 2.262 ( 5.448 0.000 16.245) 17.134 2.457 ( -7.996 0.000 5.414) 9.657 2.546 ( -1.490 -0.000 -1.182) 1.902 2.768 ( 8.173 -0.000 -11.475) 14.088 2.947 ( 6.376 0.000 10.635) 12.400 3.484 ( 10.787 -0.000 -7.109) 12.918 3.842 ( -8.502 -0.000 -6.902) 10.951 4.383 ( -0.647 0.000 1.591) 1.718 5.304 ( -2.305 0.000 1.753) 2.896 5.518 ( -8.750 -0.000 -19.867) 21.708 5.822 ( -5.575 -0.000 -18.657) 19.472 6.137 ( -0.364 -0.000 -2.910) 2.933 6.742 ( 4.751 -0.000 -24.587) 25.042 7.864 ( -1.366 0.000 1.388) 1.947 8.139 ( -1.806 -0.000 -1.488) 2.340 9.808 ( 2.153 0.000 5.191) 5.620 9.950 ( 7.185 0.000 1.678) 7.379 10.020 ( 1.442 -0.000 -2.726) 3.084 10.831 ( -2.074 0.000 6.299) 6.631 11.122 ( -7.882 0.000 10.334) 12.997 11.248 ( 1.677 0.000 0.419) 1.729 11.289 ( -2.903 -0.000 -1.064) 3.092 11.390 ( -1.867 0.000 2.365) 3.013 22.049 ( 0.711 0.000 1.744) 1.883 22.268 ( -3.818 -0.000 -0.578) 3.861 22.671 ( -2.105 -0.000 -5.211) 5.620 22.754 ( 1.176 -0.000 -5.487) 5.612 23.092 ( -1.675 0.000 6.633) 6.841 23.621 ( -4.225 -0.000 -3.027) 5.197 23.836 ( -1.116 0.000 1.880) 2.186 24.008 ( 1.713 0.000 4.633) 4.939 ======================= Grid point 162 (66/216) ======================= q-point: ( 0.36 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.438 ( 0.000 12.304 6.721) 14.020 0.484 ( 0.000 9.735 4.837) 10.870 1.140 ( 0.000 -0.681 5.014) 5.060 1.311 ( -0.000 6.658 1.557) 6.838 1.643 ( 0.000 -4.069 0.877) 4.163 1.707 ( 0.000 0.600 9.027) 9.046 1.755 ( 0.000 -3.536 6.443) 7.349 1.891 ( -0.000 5.530 -2.361) 6.013 1.930 ( 0.000 0.121 18.360) 18.360 2.036 ( 0.000 -1.392 20.677) 20.724 2.172 ( 0.000 -1.324 13.373) 13.439 2.344 ( -0.000 7.074 -9.645) 11.961 2.366 ( 0.000 -2.839 17.334) 17.565 2.504 ( 0.000 0.447 0.928) 1.030 2.858 ( 0.000 -3.676 13.640) 14.126 2.890 ( 0.000 6.924 4.436) 8.223 3.292 ( 0.000 2.533 1.993) 3.223 3.862 ( -0.000 0.554 -11.379) 11.393 4.470 ( 0.000 0.938 5.388) 5.469 5.169 ( -0.000 -12.305 -14.834) 19.273 5.550 ( -0.000 9.068 -9.327) 13.008 5.551 ( -0.000 0.657 -28.829) 28.837 6.027 ( -0.000 2.647 -10.752) 11.073 6.194 ( -0.000 1.114 -33.687) 33.706 7.947 ( 0.000 1.509 2.526) 2.943 8.144 ( -0.000 -0.072 -2.018) 2.020 9.725 ( 0.000 -0.144 0.240) 0.280 9.953 ( -0.000 0.480 -3.450) 3.483 10.055 ( 0.000 1.437 17.449) 17.508 10.959 ( 0.000 -5.883 9.028) 10.775 11.117 ( -0.000 -1.249 -7.608) 7.710 11.228 ( 0.000 -10.966 0.665) 10.987 11.466 ( 0.000 8.168 2.325) 8.493 11.558 ( -0.000 7.885 1.721) 8.070 22.073 ( 0.000 0.143 2.516) 2.520 22.299 ( -0.000 -1.008 -2.339) 2.548 22.650 ( -0.000 0.082 -2.818) 2.819 22.740 ( -0.000 0.189 -3.677) 3.682 23.170 ( 0.000 -5.266 6.050) 8.021 23.593 ( -0.000 -6.346 -5.244) 8.232 23.916 ( 0.000 4.856 1.811) 5.183 24.020 ( -0.000 3.919 -0.806) 4.001 ======================= Grid point 163 (67/216) ======================= q-point: ( 0.45 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.565 ( -4.218 9.068 4.799) 11.093 0.789 ( -13.697 9.800 7.109) 18.281 1.190 ( -2.684 -1.513 4.107) 5.134 1.355 ( 2.588 7.959 0.468) 8.382 1.615 ( -0.936 -2.826 -0.889) 3.107 1.739 ( 1.856 -1.989 2.462) 3.670 1.802 ( -1.619 2.224 8.342) 8.784 1.890 ( 2.634 1.564 1.285) 3.322 1.990 ( -0.720 -4.470 3.977) 6.026 2.144 ( 7.371 0.311 22.620) 23.793 2.190 ( -0.061 -1.571 3.908) 4.213 2.363 ( -1.424 6.251 -7.749) 10.058 2.423 ( -0.405 -0.663 -3.584) 3.667 2.765 ( -10.138 2.537 35.008) 36.535 2.805 ( 8.570 -1.385 13.773) 16.281 3.097 ( -9.166 1.243 8.443) 12.524 3.344 ( -2.976 1.659 -0.747) 3.488 3.733 ( 4.505 -0.353 -14.376) 15.069 4.483 ( 3.542 0.509 4.128) 5.463 4.930 ( 1.477 -9.975 -22.159) 24.345 5.385 ( -2.545 4.107 -23.894) 24.378 5.523 ( 4.527 5.180 -4.157) 8.038 5.957 ( -0.135 0.376 -18.122) 18.127 6.040 ( -6.792 4.348 -23.558) 24.900 7.964 ( 1.872 1.742 2.532) 3.598 8.123 ( 0.870 0.331 -1.911) 2.126 9.749 ( -2.339 -0.310 0.695) 2.460 9.939 ( -1.037 0.390 -3.654) 3.818 10.203 ( -1.290 1.566 16.833) 16.954 10.932 ( 3.427 -5.675 4.627) 8.085 11.061 ( -1.495 -2.372 -8.259) 8.722 11.141 ( 0.021 -11.283 1.883) 11.439 11.520 ( 3.645 8.246 2.979) 9.496 11.616 ( 1.737 6.915 1.725) 7.336 22.094 ( -0.241 0.038 2.625) 2.636 22.263 ( 0.986 -1.183 -2.204) 2.689 22.624 ( 1.258 0.342 -2.470) 2.793 22.691 ( 2.666 0.246 -3.616) 4.500 23.145 ( 1.783 -7.065 4.166) 8.394 23.508 ( -1.276 -5.363 -4.542) 7.142 23.959 ( 1.900 4.827 2.812) 5.901 24.067 ( -1.717 4.641 -0.665) 4.993 ======================= Grid point 164 (68/216) ======================= q-point: ( 0.55 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( -9.219 5.230 4.161) 11.387 1.073 ( -6.937 2.579 8.327) 11.140 1.253 ( -3.681 -0.978 0.988) 3.935 1.372 ( 1.404 5.636 -2.140) 6.190 1.619 ( 2.007 -1.050 5.314) 5.776 1.710 ( 1.530 -0.245 2.532) 2.969 1.873 ( 2.657 -1.971 6.960) 7.706 1.907 ( -1.857 4.069 4.624) 6.434 1.938 ( 3.446 -4.907 2.096) 6.352 2.131 ( 2.639 -1.922 0.681) 3.336 2.245 ( 2.285 3.729 7.959) 9.081 2.353 ( -1.316 1.382 -10.317) 10.492 2.411 ( 1.885 3.687 3.403) 5.359 2.786 ( 7.437 0.567 17.819) 19.317 3.109 ( -2.767 -1.488 17.485) 17.765 3.339 ( -12.040 2.096 7.846) 14.523 3.387 ( -1.975 0.728 -0.177) 2.112 3.545 ( 3.948 0.226 -12.267) 12.889 4.466 ( 2.231 1.351 6.131) 6.663 4.682 ( -2.481 -9.384 -22.063) 24.104 5.296 ( 5.809 5.508 -12.249) 14.632 5.480 ( -3.120 0.718 -7.031) 7.725 5.827 ( -1.020 -1.560 -16.070) 16.178 6.096 ( -11.202 7.444 -16.083) 20.965 7.950 ( 3.070 0.758 1.617) 3.552 8.101 ( 1.273 1.423 -1.017) 2.163 9.793 ( -2.513 -0.226 1.172) 2.782 9.940 ( -1.836 0.521 -3.432) 3.927 10.357 ( -1.790 1.409 15.185) 15.355 10.845 ( 4.442 -4.501 0.981) 6.399 10.987 ( -0.807 -5.155 -8.138) 9.667 11.084 ( -0.436 -8.333 1.955) 8.570 11.529 ( 5.273 6.994 2.089) 9.005 11.640 ( 3.267 5.353 2.133) 6.624 22.115 ( -0.112 -0.415 2.255) 2.295 22.229 ( 0.362 -0.655 -1.132) 1.357 22.558 ( 5.983 0.259 -2.272) 6.405 22.632 ( 0.832 0.854 -3.952) 4.128 23.079 ( -0.252 -8.762 1.459) 8.887 23.493 ( -2.165 -0.686 -1.716) 2.846 23.968 ( 4.140 3.092 3.713) 6.363 24.126 ( -2.234 3.314 -1.445) 4.250 ======================= Grid point 165 (69/216) ======================= q-point: ( 0.64 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( -9.673 1.847 4.802) 10.957 1.185 ( -3.484 -2.116 1.879) 4.489 1.282 ( 1.468 2.398 -0.271) 2.825 1.341 ( 2.828 -3.972 0.174) 4.879 1.523 ( 10.706 -1.935 6.133) 12.489 1.753 ( 1.153 -0.220 2.409) 2.680 1.858 ( 2.626 -0.192 5.991) 6.544 1.910 ( -0.517 -4.948 6.230) 7.973 1.996 ( -3.363 5.063 0.577) 6.106 2.055 ( 3.091 -0.594 -4.146) 5.205 2.266 ( 2.121 3.661 -0.549) 4.267 2.328 ( -2.304 1.717 -5.637) 6.327 2.440 ( 2.502 4.112 3.833) 6.153 2.823 ( 7.137 4.685 16.719) 18.773 3.086 ( 6.244 -2.252 -1.593) 6.827 3.356 ( -0.302 -2.302 -9.608) 9.885 3.489 ( -1.500 0.305 1.031) 1.846 3.585 ( -4.889 6.581 2.688) 8.628 4.517 ( -6.778 -3.951 -6.396) 10.122 4.648 ( -8.035 -3.706 11.316) 14.364 5.117 ( 10.082 1.422 -5.442) 11.544 5.498 ( -9.261 -0.744 -17.847) 20.120 5.741 ( 1.008 -2.182 -3.961) 4.634 6.276 ( -14.711 8.820 -10.205) 19.959 7.907 ( 3.106 -0.446 0.444) 3.169 8.090 ( 1.583 2.239 -0.033) 2.742 9.838 ( -1.892 -0.008 1.364) 2.333 9.957 ( -2.187 1.187 -2.538) 3.555 10.495 ( -1.205 1.021 12.830) 12.927 10.744 ( 4.143 -3.678 0.253) 5.546 10.904 ( -1.608 -5.299 -7.828) 9.589 11.033 ( 0.559 -5.943 0.112) 5.970 11.499 ( 5.874 5.069 0.808) 7.801 11.629 ( 4.493 3.526 1.830) 5.997 22.114 ( 0.818 -1.334 0.897) 1.804 22.243 ( -2.361 0.675 1.034) 2.665 22.425 ( 7.899 -0.378 -1.782) 8.107 22.617 ( -0.813 2.299 -4.235) 4.887 23.052 ( -3.787 -8.078 0.773) 8.955 23.522 ( -0.571 3.271 -0.163) 3.325 23.929 ( 6.086 0.871 3.537) 7.093 24.165 ( -2.222 0.577 -2.053) 3.080 ======================= Grid point 166 (70/216) ======================= q-point: ( 0.73 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( 1.167 -3.372 4.357) 5.632 1.129 ( 8.166 -5.277 0.355) 9.729 1.239 ( -7.299 -0.090 -4.415) 8.531 1.328 ( 0.491 -0.341 3.476) 3.527 1.461 ( 0.327 3.224 0.559) 3.289 1.692 ( 4.356 -2.556 1.804) 5.363 1.814 ( 6.662 0.921 0.312) 6.733 1.901 ( 2.493 -6.584 6.717) 9.731 1.966 ( 2.985 -0.074 -1.809) 3.491 2.123 ( -1.850 5.994 -1.558) 6.464 2.258 ( -0.284 2.438 0.247) 2.467 2.367 ( -2.530 2.406 -0.963) 3.622 2.451 ( 1.678 3.483 0.325) 3.879 2.816 ( 8.204 3.957 0.074) 9.109 2.983 ( 7.611 -1.078 11.189) 13.575 3.228 ( 2.180 -0.981 -13.898) 14.103 3.511 ( -0.375 -0.357 0.976) 1.105 3.708 ( -3.218 6.231 -0.042) 7.013 4.592 ( -11.966 -3.813 -3.393) 13.009 4.758 ( 7.610 0.056 2.445) 7.993 5.089 ( -8.678 -4.055 15.426) 18.158 5.516 ( -12.602 -1.095 -20.402) 24.005 5.693 ( 1.670 -2.215 1.099) 2.984 6.532 ( -14.404 7.932 -3.495) 16.811 7.859 ( 2.174 -1.015 -0.028) 2.399 8.085 ( 1.523 2.207 0.230) 2.691 9.869 ( -1.018 -0.050 0.693) 1.233 9.992 ( -2.048 2.216 -0.978) 3.172 10.547 ( 4.608 -0.752 4.278) 6.332 10.707 ( -1.231 -1.667 6.091) 6.434 10.843 ( -2.662 -4.660 -6.951) 8.781 10.974 ( 1.244 -3.393 -1.573) 3.941 11.443 ( 5.434 2.910 0.081) 6.165 11.582 ( 5.249 1.828 0.866) 5.625 22.093 ( 0.564 -1.515 0.257) 1.637 22.294 ( 6.090 -0.793 -0.827) 6.197 22.325 ( -4.390 2.230 1.929) 5.288 22.632 ( -1.675 3.537 -3.489) 5.243 23.071 ( -5.077 -6.659 0.686) 8.402 23.556 ( 1.232 6.106 0.362) 6.240 23.841 ( 7.139 -1.253 1.967) 7.511 24.175 ( -1.874 -2.687 -1.619) 3.654 ======================= Grid point 167 (71/216) ======================= q-point: (-0.18 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( 5.273 0.355 0.000) 5.285 1.055 ( 2.775 -7.525 -0.000) 8.020 1.306 ( 4.858 1.061 0.000) 4.972 1.345 ( -3.772 2.737 0.000) 4.660 1.538 ( -5.920 1.321 -0.000) 6.066 1.628 ( 3.055 -0.101 0.000) 3.056 1.731 ( 2.645 0.275 0.000) 2.659 1.812 ( 5.711 -4.435 -0.000) 7.230 1.934 ( 0.416 -0.627 -0.000) 0.753 2.097 ( 7.404 4.940 0.000) 8.900 2.304 ( -0.924 -0.561 -0.000) 1.081 2.404 ( -0.245 1.093 0.000) 1.120 2.463 ( -0.782 1.671 0.000) 1.845 2.653 ( 11.852 -1.374 0.000) 11.931 2.923 ( 6.022 0.422 0.000) 6.036 3.142 ( 1.996 1.187 0.000) 2.323 3.517 ( -1.493 -2.172 -0.000) 2.635 3.783 ( -0.606 4.876 0.000) 4.913 4.590 ( 10.487 0.303 0.000) 10.491 4.782 ( -13.679 0.176 -0.000) 13.680 5.312 ( -13.222 -6.766 -0.000) 14.853 5.635 ( -12.302 0.873 -0.000) 12.333 5.669 ( -0.739 -2.116 -0.000) 2.241 6.785 ( -11.360 5.610 0.000) 12.670 7.826 ( 0.867 -1.084 -0.000) 1.388 8.082 ( 0.893 1.701 0.000) 1.921 9.878 ( 0.066 -0.168 -0.000) 0.180 10.038 ( -1.382 2.707 0.000) 3.039 10.449 ( 7.109 -1.088 0.000) 7.192 10.770 ( -2.611 -2.205 -0.000) 3.417 10.826 ( -3.729 -4.042 -0.000) 5.500 10.932 ( 0.834 0.312 0.000) 0.890 11.382 ( 3.892 0.808 0.000) 3.975 11.510 ( 5.254 0.590 0.000) 5.287 22.081 ( -0.569 -1.235 -0.000) 1.360 22.197 ( 5.005 -0.132 0.000) 5.007 22.449 ( -7.102 2.445 -0.000) 7.511 22.680 ( -2.069 4.273 0.000) 4.747 23.103 ( -4.021 -4.838 -0.000) 6.291 23.587 ( 2.123 7.737 0.000) 8.023 23.719 ( 6.457 -3.098 -0.000) 7.161 24.160 ( -1.081 -5.461 -0.000) 5.567 ======================= Grid point 171 (72/216) ======================= q-point: ( 0.18 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( 8.921 1.258 5.791) 10.710 0.845 ( -2.136 -3.575 15.250) 15.809 1.267 ( 12.754 -0.855 -3.987) 13.390 1.407 ( 4.981 0.749 1.184) 5.174 1.492 ( -8.682 0.812 15.506) 17.789 1.622 ( -3.283 6.370 0.657) 7.196 1.697 ( 1.027 0.126 1.324) 1.681 1.776 ( 5.501 -1.528 5.970) 8.261 1.823 ( 1.621 -5.860 4.545) 7.591 1.926 ( -5.116 -0.844 3.782) 6.418 2.075 ( 2.815 -3.246 -5.546) 7.015 2.370 ( -7.270 0.543 6.469) 9.747 2.466 ( -0.311 -0.343 1.545) 1.613 2.590 ( 4.767 0.847 7.098) 8.592 2.886 ( 12.963 3.686 6.929) 15.154 3.128 ( 4.725 -3.557 9.943) 11.569 3.582 ( 7.070 -0.696 -5.267) 8.844 3.642 ( -9.169 -0.736 -7.810) 12.067 4.388 ( 0.907 0.821 1.129) 1.664 5.212 ( -6.441 3.304 -14.065) 15.818 5.273 ( -6.602 -2.559 -6.319) 9.490 5.620 ( -4.468 0.267 -12.559) 13.333 6.143 ( 2.795 -0.672 -2.291) 3.676 6.660 ( 6.854 -0.648 -23.967) 24.936 7.855 ( -1.298 -0.366 1.672) 2.148 8.097 ( -1.877 0.047 -1.802) 2.603 9.852 ( 1.511 0.480 0.285) 1.611 10.020 ( 1.482 0.248 -2.564) 2.972 10.096 ( 5.853 -1.210 6.991) 9.198 10.801 ( -4.552 2.053 3.257) 5.963 11.083 ( -6.007 -0.432 7.229) 9.410 11.216 ( -2.271 2.588 -2.793) 4.434 11.296 ( 2.292 -0.536 2.614) 3.518 11.398 ( -2.176 -3.979 2.750) 5.304 22.078 ( 1.270 -0.055 2.031) 2.396 22.204 ( -3.785 -0.113 0.201) 3.792 22.575 ( -4.584 0.862 -5.683) 7.352 22.742 ( 2.917 -1.010 -8.159) 8.723 23.112 ( -0.943 1.760 6.800) 7.087 23.530 ( -4.197 -0.439 -2.997) 5.176 23.831 ( -0.966 2.310 3.755) 4.513 24.089 ( 2.772 -3.178 2.925) 5.132 ======================= Grid point 172 (73/216) ======================= q-point: ( 0.27 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.623 ( 11.829 0.000 6.725) 13.607 0.899 ( 18.423 0.000 6.191) 19.436 1.133 ( -6.020 0.000 7.291) 9.455 1.305 ( 8.223 0.000 2.251) 8.526 1.694 ( -2.388 -0.000 -0.449) 2.429 1.714 ( -0.957 0.000 1.981) 2.200 1.737 ( -4.556 0.000 9.352) 10.403 1.788 ( 2.122 0.000 5.623) 6.010 1.802 ( -1.065 0.000 19.626) 19.655 2.025 ( -1.171 0.000 4.424) 4.576 2.061 ( -7.635 -0.000 -0.333) 7.642 2.461 ( 0.018 -0.000 -2.987) 2.987 2.534 ( 4.786 -0.000 -8.115) 9.421 2.569 ( -9.188 0.000 10.963) 14.304 2.739 ( 18.086 0.000 25.141) 30.971 3.099 ( 6.324 0.000 9.986) 11.820 3.425 ( 7.844 0.000 -2.283) 8.169 3.713 ( -8.142 -0.000 -10.889) 13.596 4.410 ( -1.897 0.000 2.220) 2.920 5.223 ( -6.488 -0.000 -19.852) 20.885 5.292 ( -4.450 -0.000 -6.923) 8.230 5.560 ( -0.131 -0.000 -13.584) 13.585 6.055 ( 2.973 -0.000 -7.919) 8.459 6.330 ( 8.091 -0.000 -31.510) 32.532 7.893 ( -1.750 0.000 2.579) 3.117 8.112 ( -1.806 -0.000 -2.197) 2.844 9.811 ( 3.152 -0.000 -1.528) 3.503 9.974 ( 1.431 -0.000 -3.548) 3.825 10.098 ( 3.423 0.000 14.987) 15.373 10.921 ( -4.868 0.000 5.174) 7.104 11.188 ( 1.589 -0.000 -5.328) 5.560 11.236 ( -6.834 0.000 5.584) 8.825 11.331 ( -1.376 0.000 4.006) 4.236 11.418 ( -1.412 0.000 1.378) 1.973 22.080 ( 0.632 0.000 2.611) 2.687 22.257 ( -2.915 -0.000 -0.951) 3.067 22.604 ( -3.136 -0.000 -3.887) 4.994 22.678 ( -1.317 -0.000 -4.991) 5.162 23.186 ( -1.450 0.000 6.330) 6.494 23.570 ( -3.941 -0.000 -3.988) 5.607 23.869 ( -0.018 0.000 2.609) 2.610 24.044 ( 2.979 0.000 0.613) 3.041 ======================= Grid point 174 (74/216) ======================= q-point: ( 0.45 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.529 ( 0.000 12.353 5.397) 13.481 0.546 ( 0.000 10.719 3.754) 11.357 1.207 ( 0.000 0.725 4.072) 4.136 1.311 ( -0.000 5.846 -1.045) 5.938 1.631 ( 0.000 -5.496 -0.360) 5.508 1.757 ( -0.000 -1.480 -0.607) 1.600 1.842 ( 0.000 0.725 7.288) 7.324 1.867 ( -0.000 5.848 -0.766) 5.897 2.045 ( -0.000 -1.890 -3.740) 4.191 2.198 ( -0.000 -3.075 -3.658) 4.778 2.279 ( 0.000 2.237 1.746) 2.838 2.396 ( -0.000 -1.572 -3.981) 4.280 2.452 ( 0.000 1.279 33.241) 33.265 2.921 ( 0.000 1.342 37.591) 37.615 2.981 ( 0.000 1.857 8.737) 8.932 3.119 ( 0.000 -5.596 18.576) 19.400 3.311 ( 0.000 3.217 3.268) 4.586 3.661 ( -0.000 -0.342 -16.846) 16.850 4.554 ( 0.000 -1.956 5.264) 5.616 4.852 ( -0.000 -8.464 -25.992) 27.335 5.119 ( -0.000 4.228 -28.552) 28.863 5.447 ( -0.000 7.892 -11.613) 14.041 5.765 ( -0.000 1.053 -19.929) 19.957 5.878 ( -0.000 1.984 -9.462) 9.667 7.986 ( 0.000 1.337 2.852) 3.150 8.111 ( -0.000 0.300 -2.566) 2.583 9.740 ( 0.000 -0.030 1.945) 1.945 9.897 ( -0.000 0.626 -4.192) 4.239 10.312 ( 0.000 0.630 17.805) 17.817 10.974 ( -0.000 -0.738 -11.606) 11.630 11.083 ( 0.000 -8.593 7.785) 11.595 11.240 ( 0.000 -11.340 0.290) 11.343 11.502 ( 0.000 8.670 2.590) 9.048 11.572 ( -0.000 8.460 0.205) 8.462 22.114 ( 0.000 -0.145 3.161) 3.164 22.260 ( -0.000 -0.851 -3.016) 3.134 22.622 ( -0.000 -0.074 -1.037) 1.039 22.687 ( -0.000 0.123 -3.432) 3.434 23.258 ( 0.000 -6.391 6.106) 8.839 23.515 ( -0.000 -7.372 -5.612) 9.265 23.940 ( -0.000 5.903 1.525) 6.097 24.003 ( -0.000 5.381 -1.426) 5.567 ======================= Grid point 175 (75/216) ======================= q-point: ( 0.55 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.623 ( -3.943 8.550 2.903) 9.853 0.877 ( -14.849 12.606 4.708) 20.039 1.236 ( -0.100 -0.189 2.323) 2.332 1.342 ( 1.059 4.730 -1.714) 5.142 1.621 ( -1.716 -2.339 1.917) 3.478 1.740 ( -0.816 0.093 -1.310) 1.546 1.892 ( 0.755 3.478 1.025) 3.704 1.911 ( -1.910 -0.350 4.607) 4.999 2.022 ( 0.743 -0.023 1.223) 1.431 2.176 ( -1.641 -1.239 -3.444) 4.011 2.260 ( 3.510 1.789 -2.821) 4.845 2.331 ( 2.136 -2.834 -3.734) 5.151 2.610 ( 9.294 0.645 29.851) 31.271 2.996 ( 2.739 -2.563 10.809) 11.442 3.191 ( -3.803 -4.521 3.305) 6.770 3.255 ( -3.422 1.334 22.823) 23.117 3.395 ( 0.623 4.398 10.346) 11.260 3.502 ( 1.626 -0.976 -13.202) 13.337 4.528 ( 0.857 -1.757 0.965) 2.180 4.573 ( -0.219 -10.795 -24.304) 26.595 5.087 ( -6.304 7.366 -15.337) 18.145 5.394 ( 0.124 7.003 -16.829) 18.228 5.700 ( -1.914 1.488 -5.867) 6.348 5.852 ( -2.675 2.991 -9.126) 9.970 8.000 ( 2.138 1.078 2.370) 3.369 8.093 ( 0.499 1.165 -2.060) 2.419 9.773 ( -1.687 0.022 2.500) 3.016 9.881 ( -1.256 0.668 -4.154) 4.391 10.447 ( -0.610 0.464 16.569) 16.586 10.872 ( 0.822 -1.046 -11.775) 11.850 11.036 ( 2.266 -9.324 3.335) 10.158 11.162 ( -1.264 -10.668 0.740) 10.768 11.555 ( 3.947 8.413 1.805) 9.467 11.633 ( 0.909 7.296 0.593) 7.376 22.136 ( -0.095 -0.410 3.055) 3.084 22.227 ( 0.300 -0.920 -2.772) 2.936 22.603 ( 1.839 0.134 -0.444) 1.896 22.643 ( 2.651 0.191 -2.887) 3.924 23.198 ( 3.512 -9.502 3.017) 10.570 23.450 ( -3.448 -4.748 -3.257) 6.711 23.995 ( 1.048 5.551 2.215) 6.068 24.051 ( -1.164 5.569 -1.471) 5.876 ======================= Grid point 176 (76/216) ======================= q-point: ( 0.64 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( -10.386 4.160 1.456) 11.282 1.174 ( -3.789 5.915 4.818) 8.518 1.264 ( -4.810 -1.006 0.786) 4.976 1.329 ( 1.236 2.495 -3.236) 4.269 1.660 ( -3.883 1.373 1.062) 4.253 1.739 ( 4.646 0.444 1.039) 4.781 1.926 ( -0.920 1.584 1.504) 2.370 1.962 ( -3.759 -3.670 2.458) 5.800 2.016 ( 4.344 -1.721 7.258) 8.632 2.111 ( 5.306 -1.105 -4.254) 6.890 2.226 ( -0.264 4.965 -4.212) 6.516 2.254 ( 0.839 -0.900 -3.196) 3.425 2.601 ( 12.067 -0.367 14.861) 19.147 3.019 ( 4.957 -0.016 11.161) 12.212 3.137 ( 3.183 -0.374 -8.043) 8.658 3.281 ( -3.308 -1.681 -6.669) 7.632 3.494 ( 0.872 1.204 6.080) 6.259 3.533 ( 0.739 5.249 5.434) 7.591 4.388 ( -7.016 -10.848 -11.565) 17.339 4.648 ( -9.178 -0.846 14.240) 16.963 5.086 ( -3.460 2.362 -17.771) 18.258 5.314 ( 4.167 2.971 -8.277) 9.731 5.761 ( -1.087 1.806 3.807) 4.352 5.910 ( -11.678 6.996 -9.766) 16.754 7.968 ( 3.449 -0.209 0.710) 3.527 8.089 ( 0.915 2.503 -0.495) 2.711 9.820 ( -1.824 -0.007 2.021) 2.722 9.891 ( -2.363 1.080 -2.858) 3.862 10.574 ( -0.714 0.205 14.455) 14.474 10.769 ( 0.609 -0.828 -11.231) 11.278 10.928 ( 2.642 -8.822 -0.170) 9.210 11.105 ( -0.572 -9.257 0.787) 9.308 11.548 ( 5.748 7.166 0.602) 9.206 11.661 ( 2.783 5.466 0.743) 6.179 22.145 ( 0.672 -1.237 1.462) 2.030 22.212 ( -1.255 -0.070 -0.980) 1.594 22.538 ( 6.672 0.196 -0.619) 6.704 22.591 ( 1.404 0.832 -1.595) 2.282 23.093 ( -0.325 -10.414 0.458) 10.429 23.476 ( -2.903 0.188 -0.607) 2.972 24.012 ( 3.546 3.052 2.036) 5.103 24.102 ( -1.792 3.798 -1.367) 4.417 ======================= Grid point 177 (77/216) ======================= q-point: ( 0.73 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( -12.503 0.958 -0.000) 12.540 1.194 ( 1.531 -0.768 -0.000) 1.713 1.280 ( 3.814 0.226 0.000) 3.820 1.344 ( -2.652 -3.163 -0.000) 4.128 1.571 ( 12.733 -2.286 0.000) 12.937 1.764 ( -0.581 1.776 0.000) 1.869 1.908 ( 3.401 -3.753 -0.000) 5.065 1.989 ( -0.693 -5.501 -0.000) 5.544 1.996 ( -2.395 5.655 0.000) 6.141 2.012 ( 2.525 -1.701 -0.000) 3.044 2.243 ( 1.721 5.049 0.000) 5.335 2.286 ( -3.764 2.949 0.000) 4.782 2.494 ( 7.445 3.505 0.000) 8.229 2.931 ( 10.004 4.379 0.000) 10.920 3.141 ( -2.508 -1.817 -0.000) 3.097 3.203 ( 7.281 -0.694 0.000) 7.314 3.518 ( 1.169 1.560 0.000) 1.949 3.593 ( -3.791 5.654 0.000) 6.807 4.428 ( -12.108 -9.218 -0.000) 15.218 4.870 ( -0.393 2.226 0.000) 2.261 5.064 ( -7.001 -2.924 -0.000) 7.588 5.246 ( -4.138 -1.133 -0.000) 4.290 5.754 ( 2.827 -0.517 0.000) 2.874 6.194 ( -16.673 9.549 0.000) 19.214 7.910 ( 3.222 -0.822 0.000) 3.325 8.090 ( 1.518 2.684 0.000) 3.083 9.852 ( -1.494 -0.113 -0.000) 1.499 9.933 ( -2.579 1.838 0.000) 3.166 10.639 ( 2.693 -0.426 0.000) 2.727 10.711 ( -1.742 -0.256 -0.000) 1.761 10.830 ( 0.387 -7.049 -0.000) 7.059 11.037 ( 0.894 -7.305 -0.000) 7.360 11.504 ( 6.174 5.208 0.000) 8.077 11.643 ( 4.434 3.512 0.000) 5.657 22.121 ( 1.051 -1.684 -0.000) 1.985 22.252 ( -3.405 0.806 -0.000) 3.499 22.412 ( 8.056 -0.153 0.000) 8.057 22.585 ( 0.053 2.261 0.000) 2.262 23.057 ( -4.257 -8.696 -0.000) 9.682 23.520 ( -0.615 3.947 0.000) 3.994 23.958 ( 5.926 0.626 0.000) 5.959 24.147 ( -2.097 0.518 -0.000) 2.160 ======================= Grid point 183 (78/216) ======================= q-point: ( 0.18 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( 0.850 -2.224 8.682) 9.003 0.956 ( 2.845 -3.887 5.483) 7.298 1.351 ( -7.089 6.278 1.264) 9.553 1.418 ( 8.170 2.082 -0.422) 8.442 1.483 ( -3.228 1.576 8.029) 8.796 1.552 ( -2.526 -0.131 2.003) 3.227 1.708 ( -3.284 -1.382 -1.108) 3.731 1.790 ( -4.095 -0.729 3.461) 5.411 1.890 ( 2.892 -1.593 4.723) 5.762 2.043 ( 4.265 -4.793 2.687) 6.956 2.135 ( 5.961 -3.082 -3.323) 7.488 2.333 ( -3.212 -0.149 8.160) 8.771 2.443 ( -0.662 -0.413 -2.220) 2.353 2.631 ( 3.347 2.387 -5.207) 6.635 3.033 ( -1.193 6.720 6.929) 9.726 3.307 ( 3.328 -8.119 6.125) 10.701 3.513 ( -1.074 -0.092 -1.856) 2.147 3.650 ( 5.004 -0.424 -4.043) 6.447 4.437 ( 4.168 0.962 3.598) 5.590 4.988 ( -5.732 0.715 -8.876) 10.590 5.152 ( -3.949 0.810 -8.657) 9.550 5.515 ( -2.771 0.696 0.326) 2.875 6.185 ( 4.457 0.663 -3.530) 5.724 6.632 ( 8.072 -2.660 -19.676) 21.433 7.852 ( -0.965 -0.209 1.799) 2.052 8.057 ( -1.331 -0.198 -1.839) 2.279 9.864 ( 0.855 0.412 -0.555) 1.100 10.020 ( 0.880 -0.346 -2.894) 3.045 10.248 ( 4.629 -1.520 8.299) 9.624 10.716 ( -5.650 2.658 1.705) 6.473 11.036 ( -4.995 1.015 4.607) 6.871 11.150 ( -0.700 1.689 -3.864) 4.274 11.347 ( 1.290 -0.731 1.145) 1.873 11.419 ( -1.664 -3.442 3.036) 4.882 22.109 ( 0.485 1.159 1.554) 1.998 22.171 ( -1.136 -1.860 1.916) 2.902 22.440 ( -5.554 1.805 -5.286) 7.877 22.743 ( 3.731 -2.182 -9.942) 10.840 23.130 ( -0.716 2.842 6.683) 7.297 23.461 ( -3.297 -2.425 -2.374) 4.731 23.822 ( -0.513 4.811 4.876) 6.869 24.175 ( 2.234 -3.898 1.168) 4.642 ======================= Grid point 184 (79/216) ======================= q-point: ( 0.27 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( 8.453 -0.062 6.622) 10.738 1.083 ( -7.993 -2.312 13.217) 15.618 1.225 ( 15.822 0.159 -0.337) 15.826 1.420 ( 4.216 0.886 0.599) 4.350 1.609 ( -5.508 5.825 2.231) 8.322 1.694 ( -4.397 -4.049 4.416) 7.431 1.726 ( -2.679 1.093 5.168) 5.922 1.878 ( 2.163 0.658 7.630) 7.958 1.887 ( -4.603 0.181 3.612) 5.854 2.015 ( -0.179 -4.084 9.726) 10.551 2.033 ( -0.227 -2.779 0.387) 2.815 2.416 ( -0.470 0.263 -6.174) 6.197 2.509 ( -8.845 -0.335 12.322) 15.172 2.533 ( 4.708 1.733 -9.523) 10.764 3.122 ( 6.017 4.867 15.499) 17.323 3.242 ( 2.735 -6.383 5.885) 9.103 3.520 ( 6.242 -0.396 -4.241) 7.557 3.523 ( -4.073 -0.309 -7.005) 8.109 4.421 ( 1.990 0.459 4.641) 5.070 5.007 ( -3.178 4.152 -10.703) 11.912 5.151 ( -5.160 -2.447 -12.403) 13.654 5.529 ( 1.170 -0.412 -0.210) 1.259 6.063 ( 5.667 1.704 -8.926) 10.709 6.275 ( 11.171 -3.195 -27.761) 30.094 7.887 ( -1.560 -0.159 2.631) 3.063 8.066 ( -1.881 -0.284 -2.386) 3.052 9.841 ( 1.918 0.348 -0.789) 2.103 9.973 ( 1.389 -0.527 -3.693) 3.981 10.258 ( 3.137 -0.666 13.862) 14.228 10.849 ( -5.842 2.310 2.309) 6.693 11.133 ( -1.233 2.891 -4.340) 5.359 11.174 ( -5.897 0.047 2.709) 6.489 11.344 ( 0.696 1.138 2.711) 3.021 11.435 ( -1.902 -5.292 2.353) 6.096 22.114 ( 1.138 0.233 2.795) 3.027 22.208 ( -2.787 -0.333 0.268) 2.819 22.505 ( -5.309 0.888 -3.904) 6.649 22.631 ( 0.381 -1.142 -7.096) 7.197 23.203 ( -0.553 2.401 5.734) 6.241 23.483 ( -3.456 -0.687 -3.405) 4.900 23.890 ( -0.110 1.601 4.342) 4.629 24.107 ( 3.206 -2.484 -0.344) 4.071 ======================= Grid point 185 (80/216) ======================= q-point: ( 0.36 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.725 ( 11.952 0.000 7.157) 13.931 0.923 ( 19.550 0.000 -0.975) 19.574 1.237 ( -2.547 0.000 5.663) 6.209 1.329 ( 6.753 0.000 0.868) 6.809 1.698 ( -0.480 0.000 1.885) 1.945 1.724 ( -2.955 -0.000 0.534) 3.003 1.778 ( -0.465 -0.000 -0.524) 0.701 1.894 ( 3.234 0.000 8.577) 9.166 2.016 ( -4.608 -0.000 -5.813) 7.418 2.139 ( -7.227 0.000 7.990) 10.773 2.162 ( -7.484 0.000 24.718) 25.826 2.372 ( 0.922 -0.000 -5.653) 5.728 2.389 ( 2.971 -0.000 -7.176) 7.767 2.784 ( -10.779 0.000 18.014) 20.992 3.167 ( 9.451 0.000 27.056) 28.659 3.210 ( 1.474 0.000 3.231) 3.551 3.388 ( 5.812 -0.000 -3.763) 6.924 3.537 ( -5.535 -0.000 -11.884) 13.110 4.457 ( -2.102 0.000 4.939) 5.368 4.987 ( 0.617 -0.000 -10.887) 10.905 5.062 ( -1.233 -0.000 -20.338) 20.375 5.478 ( 4.017 -0.000 -3.714) 5.471 5.875 ( 8.757 -0.000 -28.008) 29.345 5.924 ( 4.322 -0.000 -9.640) 10.565 7.935 ( -1.885 0.000 3.228) 3.738 8.076 ( -1.801 -0.000 -2.802) 3.331 9.802 ( 2.687 0.000 0.402) 2.717 9.919 ( 1.490 -0.000 -3.867) 4.144 10.331 ( 1.528 0.000 16.707) 16.776 10.926 ( -3.300 -0.000 -5.947) 6.801 11.156 ( -1.788 0.000 2.301) 2.914 11.286 ( -6.105 -0.000 1.378) 6.258 11.383 ( -0.362 0.000 3.038) 3.059 11.430 ( -0.781 0.000 0.354) 0.857 22.123 ( 0.572 0.000 3.188) 3.239 22.239 ( -1.657 -0.000 -1.586) 2.293 22.561 ( -3.970 -0.000 -2.051) 4.469 22.612 ( -3.100 -0.000 -4.060) 5.108 23.274 ( -1.684 0.000 5.899) 6.135 23.506 ( -3.431 -0.000 -4.738) 5.849 23.910 ( 1.277 0.000 3.082) 3.336 24.034 ( 3.632 -0.000 -1.716) 4.017 ======================= Grid point 187 (81/216) ======================= q-point: ( 0.55 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.584 ( 0.000 12.217 2.052) 12.388 0.587 ( 0.000 11.579 1.569) 11.685 1.255 ( -0.000 1.992 2.681) 3.340 1.288 ( 0.000 3.908 -1.963) 4.373 1.658 ( -0.000 -4.680 4.037) 6.181 1.724 ( 0.000 -3.664 -3.950) 5.387 1.870 ( -0.000 5.242 1.430) 5.433 1.907 ( 0.000 1.503 -1.921) 2.439 2.003 ( 0.000 5.402 4.522) 7.045 2.110 ( 0.000 1.281 -7.792) 7.897 2.320 ( 0.000 -3.804 2.590) 4.602 2.352 ( 0.000 -3.839 -2.264) 4.457 2.920 ( 0.000 0.550 29.186) 29.191 3.074 ( 0.000 -0.845 5.253) 5.321 3.200 ( -0.000 -5.027 -1.756) 5.325 3.366 ( 0.000 -2.060 -19.964) 20.070 3.435 ( -0.000 1.681 23.089) 23.150 3.508 ( 0.000 2.410 14.312) 14.514 4.506 ( -0.000 -10.187 -12.997) 16.514 4.508 ( -0.000 -7.585 -17.098) 18.705 4.913 ( -0.000 11.756 6.026) 13.211 5.151 ( -0.000 8.332 -22.705) 24.186 5.684 ( 0.000 1.457 2.725) 3.090 5.759 ( -0.000 1.585 -6.971) 7.149 8.028 ( -0.000 1.039 2.990) 3.165 8.071 ( -0.000 0.681 -2.899) 2.978 9.780 ( -0.000 0.196 3.405) 3.410 9.835 ( -0.000 0.460 -4.191) 4.217 10.562 ( 0.000 -0.032 16.555) 16.555 10.786 ( 0.000 -0.499 -14.375) 14.383 11.177 ( 0.000 -10.268 5.072) 11.452 11.228 ( 0.000 -11.074 -2.081) 11.268 11.538 ( -0.000 9.030 2.246) 9.305 11.564 ( -0.000 8.934 -1.279) 9.025 22.162 ( 0.000 -0.417 3.498) 3.523 22.213 ( -0.000 -0.653 -3.442) 3.504 22.620 ( -0.000 -0.058 0.810) 0.812 22.644 ( -0.000 0.029 -2.402) 2.402 23.346 ( -0.000 -7.230 6.018) 9.407 23.432 ( -0.000 -7.622 -5.859) 9.613 23.961 ( -0.000 6.289 1.443) 6.452 23.982 ( -0.000 6.104 -1.488) 6.283 ======================= Grid point 188 (82/216) ======================= q-point: ( 0.64 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.644 ( -3.765 8.374 0.000) 9.182 0.913 ( -15.554 13.803 0.000) 20.795 1.255 ( 1.772 1.371 0.000) 2.241 1.324 ( -0.054 2.217 0.000) 2.218 1.647 ( -0.072 -3.473 -0.000) 3.474 1.721 ( -3.592 1.364 -0.000) 3.842 1.909 ( -0.209 2.557 0.000) 2.566 1.922 ( -2.115 0.093 -0.000) 2.117 2.065 ( 0.769 3.945 0.000) 4.020 2.118 ( -1.631 4.633 0.000) 4.912 2.239 ( 5.122 -4.523 -0.000) 6.833 2.303 ( 1.788 -3.745 -0.000) 4.150 2.964 ( 16.027 -5.131 0.000) 16.828 3.092 ( -1.532 -4.252 -0.000) 4.519 3.107 ( -0.258 1.071 0.000) 1.102 3.232 ( -0.189 -1.591 -0.000) 1.603 3.544 ( 2.078 2.399 0.000) 3.174 3.564 ( 2.093 3.589 0.000) 4.155 4.346 ( -2.934 -12.499 -0.000) 12.839 4.522 ( -12.031 -4.242 -0.000) 12.757 4.985 ( 3.289 5.688 0.000) 6.570 5.221 ( -5.959 12.205 0.000) 13.582 5.701 ( -1.374 1.402 0.000) 1.963 5.765 ( -1.426 2.580 0.000) 2.948 8.022 ( 2.774 0.196 0.000) 2.781 8.073 ( -0.187 2.096 0.000) 2.104 9.810 ( -0.773 0.035 -0.000) 0.774 9.832 ( -2.022 0.823 -0.000) 2.183 10.671 ( 0.218 -0.493 -0.000) 0.539 10.681 ( -0.503 -0.289 -0.000) 0.580 11.065 ( 3.784 -10.382 -0.000) 11.051 11.166 ( -2.164 -10.345 -0.000) 10.569 11.569 ( 4.462 8.486 0.000) 9.588 11.636 ( 0.311 7.449 0.000) 7.455 22.174 ( 0.649 -1.061 -0.000) 1.244 22.191 ( -0.666 -0.338 -0.000) 0.747 22.610 ( 1.800 -0.053 0.000) 1.800 22.611 ( 2.889 0.310 0.000) 2.906 23.223 ( 4.869 -10.939 -0.000) 11.973 23.424 ( -4.934 -3.934 -0.000) 6.310 24.019 ( 0.810 5.333 0.000) 5.394 24.032 ( -1.019 6.324 0.000) 6.406 ======================= Grid point 195 (83/216) ======================= q-point: ( 0.18 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( -1.692 -4.491 4.559) 6.620 1.062 ( 2.780 -2.581 2.232) 4.402 1.180 ( -5.771 6.362 -1.438) 8.709 1.455 ( -0.077 1.767 0.194) 1.779 1.478 ( -4.971 -0.277 10.369) 11.503 1.594 ( 3.451 1.538 0.695) 3.842 1.603 ( -6.120 -2.833 -2.711) 7.269 1.777 ( -2.045 -0.471 3.342) 3.946 1.959 ( 2.215 0.527 2.152) 3.133 2.100 ( -0.814 -1.775 -3.651) 4.140 2.235 ( 5.786 -0.356 0.286) 5.804 2.365 ( 0.123 -0.233 3.272) 3.283 2.466 ( 2.145 -4.239 2.675) 5.452 2.621 ( 2.789 3.795 -3.669) 5.970 2.908 ( -8.288 2.771 -3.000) 9.240 3.371 ( -1.945 -4.924 -5.464) 7.609 3.549 ( 3.177 1.153 2.203) 4.034 3.690 ( 3.186 -0.248 -2.959) 4.355 4.494 ( -2.104 -0.693 2.421) 3.281 4.982 ( 7.357 2.553 10.345) 12.948 5.029 ( -1.262 0.088 -10.643) 10.718 5.514 ( -1.069 1.030 8.940) 9.062 6.207 ( 5.267 3.502 -7.320) 9.675 6.682 ( 7.913 -5.346 -10.702) 14.343 7.853 ( -0.227 0.483 1.467) 1.561 8.035 ( -0.393 -0.721 -1.385) 1.610 9.868 ( 0.230 0.035 -0.161) 0.283 10.013 ( 0.222 -0.955 -2.703) 2.875 10.372 ( 1.779 -0.787 6.794) 7.067 10.623 ( -4.506 1.679 2.384) 5.367 10.979 ( -3.829 1.472 2.218) 4.664 11.112 ( 1.070 0.816 -4.700) 4.889 11.368 ( 0.870 -0.125 -0.215) 0.905 11.436 ( -1.346 -1.820 1.697) 2.829 22.098 ( -0.840 1.107 1.179) 1.822 22.228 ( 2.347 -2.200 2.605) 4.139 22.313 ( -3.813 1.471 -2.811) 4.960 22.751 ( 3.972 -3.088 -10.555) 11.693 23.136 ( -1.748 3.031 6.638) 7.503 23.429 ( -2.209 -4.041 -1.839) 4.959 23.808 ( 0.495 6.972 4.493) 8.309 24.233 ( 0.999 -3.024 -0.196) 3.191 ======================= Grid point 196 (84/216) ======================= q-point: ( 0.27 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( 4.471 -1.639 6.592) 8.132 1.066 ( -6.832 -4.437 7.802) 11.280 1.351 ( -6.669 7.033 -0.437) 9.701 1.421 ( 6.949 3.839 1.697) 8.118 1.527 ( 0.435 1.658 0.518) 1.791 1.682 ( -7.308 -2.789 8.174) 11.313 1.695 ( -5.725 0.148 3.009) 6.469 1.843 ( -2.663 -1.841 3.697) 4.914 1.956 ( 0.437 -0.484 3.188) 3.254 2.054 ( 2.655 -0.759 0.022) 2.761 2.137 ( 2.783 -3.745 3.009) 5.552 2.364 ( 0.188 -0.225 -5.961) 5.968 2.483 ( -2.822 -0.722 5.815) 6.504 2.550 ( 3.876 0.440 -1.057) 4.041 3.048 ( -8.341 2.960 -3.775) 9.622 3.329 ( -2.416 -4.982 -3.667) 6.641 3.515 ( 3.266 0.433 0.908) 3.418 3.592 ( 5.420 -1.030 -3.469) 6.517 4.528 ( 2.179 -0.430 8.613) 8.895 4.936 ( 3.559 4.646 -4.715) 7.515 5.023 ( -1.640 -0.320 0.027) 1.671 5.575 ( 1.353 -0.046 5.457) 5.623 6.053 ( 8.194 6.165 -15.264) 18.388 6.356 ( 12.513 -8.711 -16.176) 22.228 7.881 ( -1.112 0.573 2.171) 2.506 8.029 ( -1.299 -1.087 -2.009) 2.628 9.859 ( 1.012 0.165 0.135) 1.034 9.972 ( 0.955 -1.080 -3.530) 3.813 10.402 ( 2.011 -0.805 12.153) 12.345 10.746 ( -5.858 2.710 1.579) 6.645 11.063 ( -0.481 1.681 -5.548) 5.817 11.090 ( -4.969 2.308 1.242) 5.618 11.360 ( 0.219 -0.142 0.564) 0.621 11.459 ( -2.252 -4.053 2.316) 5.183 22.133 ( -0.372 1.831 1.689) 2.518 22.204 ( 0.330 -2.506 2.495) 3.551 22.379 ( -5.322 1.832 -2.912) 6.338 22.607 ( 1.794 -2.671 -8.638) 9.218 23.213 ( -0.008 3.426 4.769) 5.871 23.428 ( -2.661 -2.681 -2.172) 4.357 23.894 ( -0.467 4.776 4.900) 6.858 24.172 ( 2.527 -3.483 -1.292) 4.493 ======================= Grid point 197 (85/216) ======================= q-point: ( 0.36 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( 7.842 -0.038 6.841) 10.407 1.118 ( 3.081 -3.419 -3.526) 5.798 1.313 ( 7.454 2.926 7.298) 10.834 1.423 ( 4.904 0.394 -0.197) 4.924 1.644 ( -6.378 3.042 2.669) 7.553 1.717 ( -1.748 -1.815 0.107) 2.522 1.792 ( 0.655 -1.954 3.674) 4.212 1.903 ( -5.544 -1.220 -0.722) 5.723 2.011 ( 1.409 1.363 9.651) 9.849 2.066 ( -4.823 0.397 4.350) 6.507 2.195 ( -5.749 -1.216 8.666) 10.471 2.300 ( -0.410 -0.423 -8.929) 8.949 2.429 ( 3.918 1.903 0.355) 4.370 2.701 ( -13.100 -2.048 10.518) 16.924 3.137 ( -5.052 0.748 -6.328) 8.131 3.330 ( -3.395 -1.956 -1.028) 4.051 3.458 ( 6.294 -0.346 -1.729) 6.536 3.478 ( 2.602 -0.601 -0.063) 2.672 4.551 ( 4.223 0.117 12.600) 13.290 4.891 ( 2.476 7.049 -8.821) 11.560 5.027 ( 0.794 -4.254 1.673) 4.640 5.520 ( 6.215 0.243 -7.388) 9.657 5.843 ( 8.961 4.425 -16.081) 18.934 5.984 ( 9.918 -7.183 -11.369) 16.710 7.928 ( -1.793 0.478 2.963) 3.496 8.029 ( -1.824 -0.959 -2.709) 3.404 9.842 ( 1.784 0.146 1.005) 2.052 9.919 ( 1.454 -0.651 -3.593) 3.930 10.470 ( 1.232 -0.303 14.925) 14.979 10.826 ( -3.162 0.797 -6.539) 7.307 11.086 ( -3.139 6.104 -0.547) 6.885 11.206 ( -7.011 -2.035 0.887) 7.354 11.369 ( 0.490 3.100 0.935) 3.275 11.464 ( -1.634 -6.341 1.514) 6.720 22.155 ( 0.780 0.824 2.656) 2.888 22.210 ( -1.080 -0.803 -0.048) 1.347 22.465 ( -5.672 1.285 -1.553) 6.020 22.541 ( -2.123 -1.639 -5.040) 5.709 23.277 ( -0.590 3.761 4.418) 5.832 23.433 ( -2.611 -1.788 -3.387) 4.636 23.953 ( 0.806 1.695 4.194) 4.595 24.085 ( 3.337 -2.644 -2.376) 4.875 ======================= Grid point 198 (86/216) ======================= q-point: ( 0.45 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.821 ( 13.343 -0.000 5.865) 14.575 0.890 ( 16.040 0.000 -3.550) 16.428 1.297 ( 2.529 0.000 2.873) 3.827 1.326 ( 5.028 -0.000 -1.232) 5.176 1.734 ( -2.618 -0.000 0.839) 2.749 1.741 ( -1.547 0.000 1.182) 1.947 1.785 ( 1.780 -0.000 4.760) 5.082 1.901 ( 0.464 0.000 -9.176) 9.188 2.029 ( 3.741 0.000 10.000) 10.677 2.176 ( 3.543 -0.000 -9.809) 10.429 2.229 ( -7.131 0.000 4.851) 8.625 2.296 ( -4.706 -0.000 -4.959) 6.837 2.656 ( -12.566 0.000 29.501) 32.066 2.991 ( -18.237 0.000 -4.051) 18.682 3.139 ( 1.031 -0.000 0.357) 1.091 3.293 ( 2.820 -0.000 -9.948) 10.340 3.433 ( -1.058 -0.000 8.614) 8.678 3.464 ( -0.937 0.000 0.771) 1.213 4.578 ( 4.182 0.000 12.080) 12.784 4.788 ( 4.781 0.000 -16.777) 17.445 4.966 ( 7.287 0.000 9.549) 12.012 5.246 ( 9.893 -0.000 -25.258) 27.126 5.702 ( 3.482 -0.000 2.213) 4.126 5.791 ( 3.931 0.000 -8.374) 9.251 7.984 ( -1.867 0.000 3.407) 3.885 8.032 ( -1.820 -0.000 -3.232) 3.710 9.822 ( 2.097 0.000 2.325) 3.131 9.865 ( 1.695 -0.000 -3.502) 3.891 10.568 ( 0.415 0.000 15.801) 15.807 10.779 ( -0.699 -0.000 -13.050) 13.069 11.220 ( -4.953 0.000 4.921) 6.981 11.277 ( -5.819 -0.000 -2.580) 6.365 11.417 ( -0.057 -0.000 1.568) 1.569 11.430 ( -0.209 0.000 -0.362) 0.418 22.169 ( 0.334 0.000 3.147) 3.165 22.210 ( -0.414 -0.000 -2.457) 2.492 22.547 ( -4.443 -0.000 0.133) 4.445 22.565 ( -4.194 0.000 -2.360) 4.812 23.357 ( -2.195 -0.000 5.536) 5.955 23.434 ( -2.818 0.000 -5.207) 5.921 23.956 ( 2.513 0.000 3.197) 4.066 24.000 ( 3.396 -0.000 -2.824) 4.417 ======================= Grid point 207 (87/216) ======================= q-point: ( 0.18 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( -1.035 0.129 -3.898) 4.035 1.012 ( -6.948 -2.163 -1.227) 7.380 1.177 ( 3.389 0.972 3.959) 5.301 1.412 ( -3.826 3.659 -0.013) 5.294 1.476 ( -3.576 -2.918 4.148) 6.205 1.500 ( -5.083 -1.034 2.873) 5.930 1.667 ( 2.965 -1.105 0.617) 3.224 1.805 ( 3.541 0.813 2.029) 4.161 1.971 ( 0.633 3.332 -3.025) 4.544 2.026 ( -3.544 -0.501 -4.032) 5.391 2.302 ( 1.523 1.566 1.139) 2.463 2.394 ( 0.937 -1.254 0.976) 1.845 2.539 ( 0.336 2.007 -1.570) 2.570 2.638 ( 2.189 -2.231 6.952) 7.622 2.717 ( -8.303 2.370 -7.780) 11.623 3.276 ( -4.196 -1.950 -12.679) 13.497 3.602 ( 3.810 2.250 2.145) 4.917 3.718 ( 1.257 -0.841 -0.448) 1.578 4.441 ( -5.197 0.065 1.889) 5.530 4.965 ( 1.671 -3.480 -9.842) 10.572 5.265 ( 13.223 3.432 21.165) 25.191 5.587 ( 1.749 0.643 11.509) 11.659 6.194 ( 6.017 5.585 -10.234) 13.120 6.801 ( 6.426 -6.052 -1.758) 9.000 7.858 ( 0.675 1.374 0.739) 1.700 8.038 ( 0.600 -1.256 -0.585) 1.510 9.867 ( -0.570 -0.128 0.196) 0.616 10.005 ( -0.399 -1.830 -2.023) 2.757 10.363 ( -5.406 2.756 1.652) 6.289 10.633 ( 0.919 -2.655 6.321) 6.917 10.927 ( -2.301 1.381 0.440) 2.719 11.101 ( 2.765 0.715 -5.225) 5.954 11.381 ( 1.731 0.752 -0.870) 2.078 11.427 ( -1.328 -0.093 -0.273) 1.359 22.093 ( -0.205 0.561 1.386) 1.509 22.199 ( -2.020 1.472 -3.414) 4.231 22.372 ( 5.050 -2.918 6.255) 8.552 22.767 ( 4.026 -3.476 -10.041) 11.362 23.119 ( -3.504 2.690 6.483) 7.845 23.427 ( -1.117 -4.953 -1.645) 5.337 23.790 ( 1.695 8.078 2.788) 8.713 24.250 ( -0.467 -1.166 -1.045) 1.634 ======================= Grid point 208 (88/216) ======================= q-point: ( 0.27 0.64 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( -8.443 -2.055 4.448) 9.761 1.090 ( -2.919 -2.295 0.754) 3.789 1.178 ( -1.393 3.872 1.619) 4.422 1.444 ( 0.553 3.959 -1.127) 4.154 1.567 ( -8.591 -4.777 -1.875) 10.007 1.600 ( 5.570 1.723 0.456) 5.848 1.658 ( -6.766 0.452 12.096) 13.867 1.837 ( -3.167 0.669 4.756) 5.753 1.957 ( 0.288 2.050 -2.843) 3.517 2.041 ( -2.159 -1.569 -4.191) 4.969 2.256 ( 5.162 -1.770 2.509) 6.006 2.361 ( 1.908 -1.802 -1.962) 3.276 2.505 ( 2.565 0.902 -0.942) 2.878 2.622 ( 1.755 -2.295 3.714) 4.706 2.864 ( -9.034 2.887 0.253) 9.488 3.229 ( -4.705 -3.123 -13.199) 14.357 3.570 ( 3.668 1.503 0.945) 4.075 3.660 ( 3.503 -2.095 -1.119) 4.232 4.552 ( -5.084 -0.099 5.248) 7.307 4.850 ( 0.401 -0.473 -11.307) 11.324 5.242 ( 12.975 3.585 22.166) 25.933 5.639 ( 1.851 0.897 6.214) 6.546 6.018 ( 9.751 7.992 -17.121) 21.262 6.551 ( 12.011 -10.247 -6.790) 17.186 7.873 ( -0.262 1.630 1.162) 2.019 8.017 ( -0.354 -1.915 -1.006) 2.192 9.872 ( 0.233 -0.050 0.733) 0.771 9.971 ( 0.441 -1.906 -2.794) 3.411 10.476 ( -2.772 1.616 6.566) 7.308 10.677 ( -2.490 -0.439 4.661) 5.302 10.998 ( -4.143 1.477 -0.048) 4.398 11.023 ( 2.067 2.493 -6.316) 7.098 11.364 ( 0.309 0.135 -0.293) 0.447 11.457 ( -2.691 -2.162 1.120) 3.629 22.119 ( -0.602 1.499 1.585) 2.263 22.225 ( -2.766 -0.122 -2.243) 3.563 22.333 ( 2.470 -1.066 4.698) 5.414 22.606 ( 2.919 -3.747 -9.133) 10.294 23.212 ( -0.834 3.125 3.807) 4.996 23.407 ( -2.023 -4.063 -1.196) 4.694 23.869 ( -0.315 7.329 3.564) 8.156 24.219 ( 1.329 -2.604 -1.373) 3.230 ======================= Grid point 209 (89/216) ======================= q-point: ( 0.36 0.64 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( 3.215 -2.551 4.631) 6.188 1.122 ( -2.941 -3.613 -0.057) 4.659 1.346 ( -7.043 7.201 -0.216) 10.075 1.460 ( 1.664 3.439 2.300) 4.459 1.539 ( 0.767 3.983 1.216) 4.235 1.668 ( -7.831 -3.588 -1.501) 8.743 1.849 ( -3.819 0.157 8.584) 9.397 1.890 ( 0.694 -3.325 2.204) 4.049 1.956 ( -1.861 0.868 -2.013) 2.875 2.063 ( -7.112 1.019 -0.472) 7.200 2.193 ( 3.049 -1.968 4.474) 5.761 2.280 ( 2.817 -1.761 -4.765) 5.809 2.457 ( 3.273 3.400 -1.627) 4.991 2.634 ( -4.726 -6.311 3.129) 8.483 3.029 ( -7.050 1.247 5.104) 8.792 3.197 ( -5.785 -1.742 -12.779) 14.135 3.523 ( 3.819 0.501 0.343) 3.867 3.567 ( 4.852 -2.424 -0.401) 5.438 4.654 ( -0.635 0.449 8.284) 8.320 4.795 ( -2.670 1.338 -9.951) 10.389 5.232 ( 12.179 3.357 22.345) 25.669 5.554 ( 8.575 0.767 -14.479) 16.846 5.840 ( 7.094 7.958 -6.589) 12.533 6.195 ( 14.077 -12.041 -6.046) 19.486 7.909 ( -1.290 1.894 1.308) 2.638 8.004 ( -1.190 -2.448 -1.214) 2.980 9.871 ( 0.926 0.201 1.243) 1.563 9.925 ( 1.066 -1.584 -2.532) 3.171 10.575 ( -0.886 0.657 10.620) 10.678 10.729 ( -2.430 -0.014 -4.452) 5.072 10.990 ( -1.021 5.035 -2.838) 5.869 11.105 ( -6.457 0.862 0.397) 6.526 11.364 ( 0.000 0.463 0.073) 0.469 11.482 ( -2.587 -4.314 0.835) 5.099 22.153 ( -0.484 2.166 0.856) 2.379 22.232 ( 0.016 -2.669 0.977) 2.842 22.362 ( -3.079 2.559 0.418) 4.026 22.504 ( -0.716 -3.775 -4.740) 6.101 23.264 ( 0.336 4.492 2.025) 4.939 23.402 ( -2.156 -3.506 -1.180) 4.281 23.952 ( -0.448 5.359 2.580) 5.965 24.149 ( 2.768 -3.953 -1.386) 5.021 ======================= Grid point 210 (90/216) ======================= q-point: (-0.55 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( 8.588 2.173 0.000) 8.859 1.070 ( 4.135 -5.478 -0.000) 6.863 1.368 ( 4.939 4.558 0.000) 6.720 1.419 ( 7.073 -1.040 0.000) 7.149 1.673 ( -6.165 2.534 -0.000) 6.666 1.707 ( -1.635 -1.398 -0.000) 2.151 1.837 ( -0.216 -0.731 -0.000) 0.762 1.880 ( -1.110 -4.906 -0.000) 5.030 2.109 ( -7.170 6.264 0.000) 9.521 2.156 ( 1.341 1.503 0.000) 2.015 2.167 ( 2.811 -0.299 0.000) 2.827 2.197 ( -3.303 -4.390 -0.000) 5.493 2.558 ( -10.858 8.020 0.000) 13.499 2.704 ( -11.893 -9.230 -0.000) 15.055 3.179 ( -2.682 0.885 -0.000) 2.825 3.193 ( -5.427 -0.782 -0.000) 5.483 3.472 ( 2.195 -0.530 0.000) 2.258 3.479 ( 3.415 -1.400 0.000) 3.691 4.694 ( 3.253 6.233 0.000) 7.031 4.776 ( 0.459 -4.058 -0.000) 4.084 5.209 ( 12.562 4.664 0.000) 13.400 5.261 ( 9.895 -1.529 0.000) 10.012 5.789 ( 4.393 3.196 0.000) 5.433 5.878 ( 10.837 -7.834 -0.000) 13.371 7.960 ( -2.007 2.195 0.000) 2.974 7.999 ( -1.666 -2.683 -0.000) 3.158 9.862 ( 1.497 0.732 0.000) 1.666 9.879 ( 1.654 -1.327 -0.000) 2.120 10.666 ( -0.773 1.166 0.000) 1.399 10.686 ( 0.092 -1.224 -0.000) 1.228 11.092 ( -4.788 8.452 0.000) 9.714 11.208 ( -7.354 -4.185 -0.000) 8.462 11.376 ( 0.518 3.987 0.000) 4.021 11.475 ( -1.557 -6.605 -0.000) 6.786 22.179 ( -0.220 1.825 0.000) 1.838 22.208 ( 0.740 -1.737 -0.000) 1.888 22.457 ( -5.409 2.368 -0.000) 5.905 22.499 ( -3.714 -2.778 -0.000) 4.638 23.317 ( -0.728 6.268 0.000) 6.310 23.400 ( -2.182 -4.205 -0.000) 4.737 23.994 ( 1.094 3.232 0.000) 3.412 24.057 ( 3.434 -4.211 -0.000) 5.434 ======================= Grid point 219 (91/216) ======================= q-point: ( 0.18 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( -4.315 -0.015 -2.468) 4.971 0.931 ( -3.996 -0.346 -2.278) 4.613 1.209 ( -0.173 5.034 -1.527) 5.263 1.338 ( -0.361 -0.977 0.216) 1.064 1.437 ( -7.204 0.492 5.246) 8.925 1.488 ( -1.014 -2.107 2.266) 3.256 1.746 ( 3.882 -2.641 1.149) 4.833 1.856 ( -3.287 4.962 1.038) 6.041 1.864 ( -0.344 -0.564 -6.028) 6.064 2.003 ( 2.255 1.509 -2.384) 3.612 2.277 ( -2.276 1.781 1.139) 3.106 2.372 ( -5.001 1.982 -3.878) 6.632 2.465 ( -7.820 2.823 -9.014) 12.263 2.512 ( -1.220 4.379 1.362) 4.745 2.764 ( 2.054 -2.744 7.068) 7.855 3.131 ( -3.196 0.080 -10.744) 11.209 3.681 ( 6.252 1.769 2.571) 6.987 3.733 ( -0.397 -0.667 0.928) 1.210 4.381 ( -2.858 1.119 1.070) 3.251 4.993 ( 3.067 -6.900 -5.087) 9.105 5.592 ( 11.402 2.833 19.852) 23.068 5.721 ( 5.057 -0.729 10.039) 11.264 6.170 ( 7.279 7.180 -10.363) 14.558 6.940 ( 4.265 -4.732 3.495) 7.267 7.862 ( 1.209 1.969 -0.005) 2.310 8.063 ( 1.369 -1.466 0.017) 2.005 9.848 ( -1.802 0.360 -0.379) 1.876 10.003 ( -0.926 -2.665 -0.774) 2.925 10.233 ( -7.790 3.142 0.069) 8.400 10.732 ( 1.134 -5.362 5.604) 7.838 10.893 ( -0.712 1.677 0.006) 1.822 11.112 ( 4.692 1.656 -5.217) 7.209 11.384 ( -1.183 1.447 -0.288) 1.891 11.414 ( 3.243 1.643 -2.050) 4.174 22.090 ( -1.023 0.593 0.573) 1.315 22.161 ( 1.287 0.718 -1.610) 2.182 22.542 ( 6.424 -2.937 7.677) 10.432 22.790 ( 4.149 -3.132 -8.735) 10.165 23.075 ( -4.777 2.432 5.544) 7.712 23.450 ( -0.008 -5.639 -1.434) 5.819 23.772 ( 2.513 7.732 0.655) 8.156 24.223 ( -1.915 1.065 -1.336) 2.567 ======================= Grid point 220 (92/216) ======================= q-point: ( 0.27 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( -4.796 0.627 -1.663) 5.115 1.003 ( -7.384 -3.298 -0.263) 8.091 1.247 ( 2.617 0.106 5.154) 5.782 1.349 ( -2.848 5.628 -5.427) 8.320 1.507 ( -3.222 -3.846 1.006) 5.117 1.615 ( -6.545 -0.408 5.844) 8.783 1.695 ( 2.196 -1.274 5.237) 5.820 1.798 ( -0.213 0.429 -4.585) 4.610 1.939 ( 0.025 1.358 0.630) 1.497 1.978 ( -1.048 2.125 -3.255) 4.026 2.311 ( -1.026 -0.707 -0.012) 1.246 2.399 ( 0.675 -1.272 0.021) 1.440 2.521 ( 2.046 2.539 -0.382) 3.283 2.590 ( -6.350 3.948 -5.062) 9.030 2.801 ( -1.699 -0.545 9.928) 10.087 3.088 ( -3.412 -2.541 -11.303) 12.077 3.624 ( 4.480 2.166 0.806) 5.041 3.715 ( 1.689 -1.974 -0.041) 2.598 4.474 ( -5.815 2.099 1.872) 6.459 4.849 ( 3.415 -5.690 -4.870) 8.231 5.569 ( 10.966 2.737 17.754) 21.046 5.719 ( 4.115 0.450 6.097) 7.369 5.992 ( 10.938 9.500 -15.122) 20.942 6.778 ( 9.742 -8.780 -1.061) 13.157 7.866 ( 0.618 2.210 0.315) 2.316 8.032 ( 0.623 -2.084 -0.202) 2.185 9.872 ( -0.838 0.185 0.348) 0.926 9.979 ( -0.023 -2.898 -1.187) 3.132 10.387 ( -7.261 3.740 1.126) 8.244 10.729 ( -0.625 -4.905 5.404) 7.325 10.933 ( -1.707 2.854 0.508) 3.364 11.012 ( 4.474 2.237 -5.565) 7.483 11.370 ( 1.536 0.848 -0.455) 1.813 11.428 ( -2.789 -0.442 0.143) 2.828 22.117 ( -0.130 0.913 1.966) 2.172 22.155 ( -1.948 1.020 -2.612) 3.414 22.472 ( 6.358 -2.759 7.070) 9.901 22.627 ( 3.754 -4.074 -8.508) 10.153 23.185 ( -2.773 2.420 2.483) 4.439 23.411 ( -1.347 -5.003 -0.636) 5.220 23.822 ( 0.573 8.481 1.346) 8.607 24.234 ( -0.171 -0.589 -0.822) 1.026 ======================= Grid point 221 (93/216) ======================= q-point: (-0.64 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( -12.107 1.759 -0.000) 12.235 1.084 ( -5.630 -3.130 -0.000) 6.441 1.202 ( 2.613 0.274 0.000) 2.627 1.432 ( -1.381 6.064 0.000) 6.219 1.552 ( -8.158 -5.588 -0.000) 9.888 1.603 ( 5.916 1.697 0.000) 6.154 1.773 ( -4.765 3.106 0.000) 5.688 1.887 ( -9.075 0.726 -0.000) 9.104 1.914 ( 0.250 -0.728 -0.000) 0.770 1.996 ( 0.266 -0.979 -0.000) 1.014 2.283 ( 3.316 -1.598 -0.000) 3.681 2.342 ( 3.396 -3.333 -0.000) 4.759 2.486 ( 4.173 3.088 0.000) 5.192 2.641 ( -1.856 -2.439 -0.000) 3.064 2.932 ( -7.464 1.774 -0.000) 7.672 3.072 ( -4.252 -2.899 -0.000) 5.146 3.577 ( 3.800 1.370 0.000) 4.039 3.653 ( 3.501 -2.661 -0.000) 4.397 4.614 ( -7.893 1.978 -0.000) 8.137 4.743 ( 2.953 -2.263 -0.000) 3.720 5.528 ( 10.498 4.182 0.000) 11.301 5.607 ( 9.750 -0.792 0.000) 9.783 5.852 ( 8.290 10.794 0.000) 13.609 6.499 ( 13.453 -11.916 -0.000) 17.972 7.883 ( -0.285 2.312 0.000) 2.330 8.009 ( -0.317 -2.612 -0.000) 2.631 9.881 ( 0.089 0.234 0.000) 0.251 9.946 ( 0.629 -2.550 -0.000) 2.626 10.529 ( -5.815 3.645 0.000) 6.863 10.726 ( -0.271 -3.683 -0.000) 3.693 10.952 ( 2.362 3.341 0.000) 4.092 11.005 ( -4.343 2.447 0.000) 4.985 11.362 ( 0.146 0.286 0.000) 0.321 11.466 ( -3.075 -2.263 -0.000) 3.818 22.134 ( -0.025 1.917 0.000) 1.918 22.203 ( -4.134 -0.164 -0.000) 4.138 22.389 ( 5.360 -0.508 0.000) 5.384 22.520 ( 0.876 -4.935 -0.000) 5.012 23.241 ( -0.454 3.332 0.000) 3.363 23.398 ( -1.901 -4.199 -0.000) 4.609 23.897 ( -0.701 7.556 0.000) 7.589 24.207 ( 1.527 -2.603 -0.000) 3.017 ======================= Grid point 231 (94/216) ======================= q-point: ( 0.18 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( -8.360 0.978 2.591) 8.806 0.828 ( -5.555 4.466 -1.964) 7.394 1.107 ( -2.785 2.367 -5.678) 6.753 1.341 ( -6.933 1.288 2.282) 7.411 1.405 ( 2.736 -2.353 2.939) 4.654 1.471 ( -4.548 0.056 -1.554) 4.806 1.710 ( -5.638 4.172 -1.036) 7.089 1.765 ( -4.351 3.303 -4.323) 6.966 1.874 ( 2.298 -1.941 0.542) 3.057 1.985 ( -0.210 4.381 -0.523) 4.417 2.083 ( -10.509 10.597 -7.700) 16.794 2.296 ( -2.912 -0.563 2.048) 3.604 2.344 ( 1.623 -4.083 -2.406) 5.009 2.516 ( 0.283 1.109 2.083) 2.377 2.821 ( 1.243 3.148 2.385) 4.140 3.035 ( -1.709 1.009 -4.181) 4.628 3.714 ( -3.264 -1.103 1.720) 3.851 3.817 ( 9.145 1.084 1.283) 9.298 4.349 ( -0.609 0.912 0.013) 1.096 5.084 ( 3.364 -7.492 -1.266) 8.309 5.831 ( 3.828 0.393 12.228) 12.819 5.893 ( 8.668 -1.836 4.591) 9.979 6.180 ( 10.425 9.215 -5.606) 15.001 7.051 ( 2.114 -2.759 4.173) 5.431 7.864 ( 1.244 2.011 -0.363) 2.392 8.101 ( 1.748 -1.387 0.148) 2.236 9.794 ( -3.309 1.690 -1.206) 3.906 10.006 ( -1.447 -2.889 0.463) 3.264 10.084 ( -8.092 1.381 -0.328) 8.216 10.828 ( 0.492 -7.476 2.970) 8.060 10.874 ( -0.099 1.436 -0.036) 1.440 11.148 ( 7.196 4.872 -3.780) 9.477 11.344 ( -1.323 1.734 -0.264) 2.196 11.452 ( 4.797 2.873 -1.203) 5.720 22.064 ( -1.098 1.020 -0.224) 1.515 22.195 ( 3.270 -0.442 -0.156) 3.304 22.706 ( 4.300 -1.854 6.053) 7.653 22.827 ( 4.591 -2.198 -5.625) 7.586 23.014 ( -3.987 2.570 3.191) 5.717 23.500 ( 1.355 -6.229 -0.740) 6.417 23.756 ( 2.715 6.210 -0.643) 6.808 24.156 ( -3.197 2.904 -1.050) 4.445 ======================= Grid point 232 (95/216) ======================= q-point: ( 0.27 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( -2.352 -1.378 -0.000) 2.726 0.915 ( -5.879 -1.360 -0.000) 6.034 1.192 ( -3.841 7.959 0.000) 8.837 1.339 ( 2.774 -1.829 -0.000) 3.323 1.503 ( -1.743 -2.703 -0.000) 3.216 1.504 ( -8.621 1.516 -0.000) 8.753 1.761 ( -1.699 -1.969 -0.000) 2.601 1.798 ( 2.768 -3.835 -0.000) 4.730 1.868 ( -3.134 5.671 0.000) 6.479 1.984 ( 2.530 2.674 0.000) 3.681 2.278 ( -2.051 -2.043 -0.000) 2.895 2.353 ( -12.153 9.743 0.000) 15.577 2.381 ( -2.637 1.472 0.000) 3.020 2.532 ( 0.440 1.266 0.000) 1.341 2.836 ( 0.637 1.287 0.000) 1.436 3.031 ( -1.320 -2.261 -0.000) 2.618 3.701 ( 7.172 1.988 0.000) 7.442 3.739 ( -0.535 -1.374 -0.000) 1.475 4.390 ( -3.111 1.925 0.000) 3.659 4.953 ( 3.985 -8.094 -0.000) 9.022 5.758 ( 8.455 0.394 0.000) 8.464 5.839 ( 3.179 -2.014 -0.000) 3.764 6.033 ( 13.803 12.039 0.000) 18.315 6.964 ( 6.108 -5.769 -0.000) 8.402 7.862 ( 1.062 2.269 0.000) 2.505 8.064 ( 1.367 -1.766 -0.000) 2.233 9.845 ( -2.190 0.780 -0.000) 2.324 9.996 ( -0.646 -3.323 -0.000) 3.385 10.235 ( -8.299 3.205 -0.000) 8.896 10.782 ( -1.469 -7.903 -0.000) 8.038 10.900 ( 0.194 3.639 0.000) 3.644 11.056 ( 6.521 3.500 0.000) 7.400 11.384 ( -2.369 0.872 -0.000) 2.525 11.398 ( 3.527 1.706 0.000) 3.918 22.095 ( -1.929 0.911 0.000) 2.134 22.149 ( 2.317 0.401 0.000) 2.352 22.657 ( 8.448 -2.450 0.000) 8.796 22.667 ( 2.986 -3.664 -0.000) 4.727 23.117 ( -4.545 2.184 0.000) 5.042 23.439 ( -0.270 -5.932 -0.000) 5.938 23.777 ( 1.804 8.059 0.000) 8.259 24.211 ( -1.790 1.513 0.000) 2.344 ======================= Grid point 242 (96/216) ======================= q-point: ( 0.18 -0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.597 ( -13.956 2.296 -0.000) 14.143 0.651 ( -8.811 9.159 0.000) 12.709 1.037 ( -4.369 -4.215 -0.000) 6.070 1.232 ( -6.031 2.150 -0.000) 6.402 1.290 ( -11.707 2.073 -0.000) 11.889 1.404 ( -19.033 15.734 0.000) 24.695 1.495 ( 3.686 1.073 0.000) 3.839 1.734 ( 1.726 -1.230 -0.000) 2.120 1.846 ( -1.971 11.228 0.000) 11.400 1.855 ( -0.616 6.132 0.000) 6.163 2.055 ( 4.022 -6.006 -0.000) 7.228 2.230 ( -5.362 -1.981 -0.000) 5.716 2.462 ( 3.063 -8.970 -0.000) 9.479 2.528 ( 1.215 0.186 0.000) 1.229 2.821 ( 5.970 10.617 0.000) 12.180 2.982 ( -1.959 1.980 0.000) 2.785 3.661 ( -6.416 -2.507 -0.000) 6.888 3.957 ( 8.114 0.530 0.000) 8.131 4.344 ( 0.518 0.410 0.000) 0.661 5.190 ( 3.505 -5.905 -0.000) 6.867 5.879 ( -1.190 0.320 -0.000) 1.232 6.070 ( 8.341 -2.124 0.000) 8.607 6.266 ( 10.383 8.578 0.000) 13.468 7.104 ( 0.506 -1.212 -0.000) 1.313 7.866 ( 1.250 1.657 0.000) 2.075 8.140 ( 1.671 -1.231 -0.000) 2.076 9.707 ( -3.921 3.286 0.000) 5.116 9.952 ( -8.046 -1.200 -0.000) 8.136 10.011 ( -1.354 -2.840 -0.000) 3.146 10.853 ( 0.060 2.611 0.000) 2.611 10.926 ( 0.638 -10.900 -0.000) 10.919 11.207 ( 10.188 10.458 0.000) 14.600 11.322 ( -0.316 -0.051 -0.000) 0.320 11.492 ( 4.222 4.354 0.000) 6.066 22.041 ( -0.614 1.079 0.000) 1.242 22.257 ( 3.547 -1.175 0.000) 3.736 22.780 ( 2.101 -0.298 0.000) 2.122 22.863 ( -1.260 -0.738 -0.000) 1.460 22.984 ( 2.510 2.537 0.000) 3.568 23.582 ( 3.054 -5.712 -0.000) 6.478 23.752 ( 2.526 4.147 0.000) 4.856 24.065 ( -4.218 3.509 0.000) 5.486 ======================= Grid point 253 (97/216) ======================= q-point: ( 0.18 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.191 ( -0.000 5.875 -0.000) 5.875 0.254 ( -0.000 8.863 -0.000) 8.863 0.841 ( -0.000 0.433 -0.000) 0.433 1.049 ( -0.000 30.552 -0.000) 30.552 1.120 ( -0.000 3.037 -0.000) 3.037 1.133 ( -0.000 5.386 -0.000) 5.386 1.551 ( -0.000 7.748 -0.000) 7.748 1.805 ( -0.000 8.183 -0.000) 8.183 1.839 ( 0.000 -1.630 0.000) 1.630 1.880 ( -0.000 5.709 -0.000) 5.709 2.089 ( 0.000 -7.238 0.000) 7.238 2.130 ( 0.000 -8.406 0.000) 8.406 2.410 ( 0.000 -9.848 0.000) 9.848 2.562 ( 0.000 -1.117 0.000) 1.117 2.948 ( -0.000 3.672 -0.000) 3.672 3.230 ( -0.000 12.491 -0.000) 12.491 3.323 ( 0.000 -3.426 0.000) 3.426 4.094 ( 0.000 -0.250 0.000) 0.250 4.361 ( -0.000 0.862 -0.000) 0.862 5.276 ( 0.000 -7.141 0.000) 7.141 5.852 ( -0.000 2.471 -0.000) 2.471 6.212 ( 0.000 -2.230 0.000) 2.230 6.442 ( -0.000 7.877 -0.000) 7.877 7.107 ( 0.000 -0.686 0.000) 0.686 7.902 ( -0.000 1.812 -0.000) 1.812 8.171 ( 0.000 -1.380 0.000) 1.380 9.657 ( -0.000 6.189 -0.000) 6.189 9.756 ( -0.000 0.053 -0.000) 0.053 9.985 ( 0.000 -2.812 0.000) 2.812 10.852 ( -0.000 2.283 -0.000) 2.283 10.939 ( 0.000 -12.250 0.000) 12.250 11.313 ( 0.000 -2.962 0.000) 2.962 11.505 ( -0.000 1.944 -0.000) 1.944 11.568 ( -0.000 5.056 -0.000) 5.056 22.033 ( -0.000 1.304 -0.000) 1.304 22.322 ( 0.000 -2.147 0.000) 2.147 22.808 ( -0.000 0.667 -0.000) 0.667 22.842 ( -0.000 0.348 -0.000) 0.348 23.060 ( -0.000 3.135 -0.000) 3.135 23.764 ( 0.000 -4.955 0.000) 4.955 23.793 ( -0.000 2.343 -0.000) 2.343 23.874 ( -0.000 1.700 -0.000) 1.700 ======================= Grid point 254 (98/216) ======================= q-point: ( 0.27 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.390 ( -12.667 4.311 1.873) 13.511 0.563 ( -14.245 9.929 5.932) 18.349 0.922 ( -6.495 -3.798 9.517) 12.132 1.174 ( -3.580 7.209 -4.726) 9.334 1.218 ( -4.862 5.219 5.991) 9.315 1.405 ( -6.314 22.592 12.425) 26.545 1.572 ( 3.419 2.690 0.129) 4.352 1.772 ( 3.434 -1.517 0.234) 3.761 1.901 ( -2.009 8.194 -0.994) 8.495 1.922 ( 1.555 7.524 0.594) 7.706 2.015 ( -0.433 -10.809 1.124) 10.876 2.121 ( -5.333 -2.230 -1.022) 5.871 2.363 ( -2.298 -9.961 0.691) 10.246 2.543 ( 0.862 -0.725 -0.496) 1.231 2.957 ( 1.652 3.903 -5.898) 7.263 3.093 ( 10.922 6.287 2.883) 12.928 3.505 ( -10.480 1.731 -2.439) 10.899 4.050 ( 4.171 -0.845 -1.603) 4.548 4.369 ( 0.949 1.748 1.123) 2.284 5.179 ( 2.307 -7.863 -2.265) 8.502 5.869 ( 0.370 1.830 -1.990) 2.728 6.136 ( 4.640 -2.540 -5.064) 7.323 6.454 ( 5.154 9.010 -3.358) 10.909 7.071 ( -0.108 -1.195 -7.544) 7.639 7.910 ( 1.427 2.346 1.063) 2.944 8.150 ( 0.978 -1.572 -0.078) 1.853 9.712 ( -0.491 4.483 2.454) 5.134 9.830 ( -6.880 1.861 0.196) 7.130 9.968 ( -0.934 -3.216 -0.006) 3.349 10.840 ( 0.282 -11.793 0.578) 11.811 10.869 ( -0.206 2.486 -1.133) 2.740 11.279 ( 0.241 -3.424 -1.764) 3.859 11.462 ( 7.295 5.583 2.461) 9.510 11.588 ( 2.693 3.789 1.423) 4.861 22.047 ( -0.161 1.512 0.270) 1.544 22.287 ( 1.873 -2.203 -0.292) 2.906 22.819 ( 2.478 0.787 -1.367) 2.938 22.825 ( -1.843 0.522 -1.333) 2.334 23.053 ( 3.034 3.166 -2.272) 4.938 23.619 ( 6.317 -4.693 -1.559) 8.023 23.818 ( 1.268 3.100 2.786) 4.357 23.995 ( -7.076 0.656 2.800) 7.638 ======================= Grid point 255 (99/216) ======================= q-point: ( 0.36 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.627 ( -10.694 3.994 1.401) 11.502 0.814 ( -5.228 8.733 1.814) 10.339 1.103 ( -7.018 -2.170 14.453) 16.213 1.262 ( -4.172 4.728 -2.596) 6.819 1.369 ( -2.307 0.963 1.117) 2.738 1.506 ( 3.704 2.209 1.191) 4.474 1.702 ( -1.805 6.103 2.098) 6.701 1.783 ( -3.202 4.098 9.405) 10.748 1.881 ( 1.469 -5.280 0.599) 5.513 1.997 ( -3.281 4.402 1.858) 5.796 2.098 ( -6.200 8.740 6.968) 12.783 2.209 ( -6.043 1.040 -1.056) 6.222 2.310 ( -0.356 -8.058 2.287) 8.384 2.524 ( 0.799 0.809 -0.787) 1.383 2.863 ( 5.257 3.193 -8.266) 10.303 3.087 ( 0.888 2.673 6.243) 6.849 3.622 ( -5.797 1.572 -3.626) 7.016 3.932 ( 6.924 -1.006 -3.434) 7.794 4.375 ( 1.624 2.672 1.126) 3.324 5.068 ( 1.762 -8.426 -0.243) 8.612 5.809 ( 3.815 0.930 -10.034) 10.775 5.963 ( 7.837 -2.162 -9.063) 12.175 6.401 ( 6.687 9.328 -3.628) 12.037 6.991 ( -0.309 -2.005 -11.167) 11.349 7.913 ( 1.865 2.586 1.231) 3.417 8.116 ( 1.587 -1.517 0.043) 2.196 9.775 ( -2.235 1.483 1.456) 3.052 9.956 ( -2.231 -1.063 0.251) 2.484 9.988 ( -6.692 2.345 2.047) 7.380 10.748 ( 0.191 -10.794 0.425) 10.804 10.885 ( -0.197 2.948 -1.745) 3.431 11.225 ( 1.069 -3.188 -2.229) 4.034 11.435 ( 5.425 6.064 4.622) 9.358 11.567 ( 4.790 2.530 2.554) 5.989 22.066 ( -0.353 1.456 0.423) 1.557 22.233 ( 2.404 -1.685 -0.194) 2.942 22.745 ( 5.522 0.509 -4.095) 6.894 22.852 ( -2.076 -0.418 -0.998) 2.341 22.999 ( 2.553 2.173 -3.543) 4.878 23.501 ( 3.336 -5.047 1.063) 6.142 23.846 ( 1.651 4.695 2.491) 5.565 24.114 ( -4.886 0.477 2.189) 5.375 ======================= Grid point 256 (100/216) ======================= q-point: ( 0.45 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( -6.242 2.621 3.468) 7.607 0.946 ( -2.221 3.780 5.757) 7.236 1.258 ( 0.167 1.234 3.164) 3.400 1.304 ( -0.366 -0.545 -2.452) 2.538 1.350 ( -3.655 1.700 -0.032) 4.031 1.492 ( 3.072 1.966 -0.572) 3.691 1.756 ( 2.319 -6.028 -0.646) 6.491 1.815 ( -5.515 3.653 5.338) 8.500 1.943 ( 2.043 2.968 3.532) 5.046 2.059 ( 0.765 0.655 3.281) 3.432 2.229 ( -4.885 -0.629 0.935) 5.014 2.339 ( -3.992 1.492 4.374) 6.106 2.441 ( -9.437 5.699 12.460) 16.637 2.522 ( 0.274 3.661 -1.159) 3.850 2.738 ( 4.072 -1.422 -8.142) 9.213 3.168 ( -2.231 0.848 9.320) 9.621 3.672 ( -2.929 0.661 -3.956) 4.967 3.788 ( 6.259 0.023 -4.132) 7.500 4.375 ( 1.302 2.647 -0.498) 2.992 4.998 ( 0.283 -7.286 3.714) 8.183 5.625 ( 7.768 1.777 -17.280) 19.029 5.735 ( 8.554 -1.816 -12.170) 14.986 6.357 ( 4.621 7.543 -2.774) 9.270 6.898 ( 0.027 -2.742 -9.119) 9.522 7.905 ( 2.174 2.037 0.154) 2.983 8.080 ( 1.731 -1.151 0.608) 2.166 9.822 ( -2.147 0.179 0.090) 2.156 9.968 ( -1.751 -2.383 1.158) 3.176 10.155 ( -6.828 5.021 2.661) 8.883 10.664 ( 0.439 -8.487 -0.832) 8.539 10.895 ( -0.158 2.208 -2.133) 3.074 11.172 ( 0.974 -2.290 -1.245) 2.782 11.439 ( 3.568 3.984 4.133) 6.759 11.521 ( 5.473 1.606 3.367) 6.624 22.085 ( -0.301 1.029 0.062) 1.074 22.192 ( 1.273 -0.693 0.782) 1.647 22.591 ( 8.274 -0.966 -6.190) 10.378 22.861 ( 0.429 -2.055 3.006) 3.667 22.986 ( -2.690 2.699 -6.232) 7.305 23.439 ( 1.916 -4.511 3.266) 5.889 23.872 ( 2.433 6.568 0.808) 7.051 24.188 ( -3.219 -1.017 0.997) 3.520 ======================= Grid point 257 (101/216) ======================= q-point: ( 0.55 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( -4.533 -0.671 3.685) 5.880 1.019 ( 2.788 1.224 7.796) 8.370 1.192 ( 0.385 0.064 -4.564) 4.580 1.339 ( -2.185 1.284 -3.460) 4.289 1.427 ( 0.569 0.318 0.895) 1.107 1.462 ( -1.926 1.725 0.867) 2.728 1.680 ( 2.099 -3.713 0.489) 4.293 1.863 ( 5.496 -2.039 -1.780) 6.126 1.983 ( -5.697 2.203 7.445) 9.631 2.071 ( 3.212 3.972 1.171) 5.241 2.320 ( -1.811 1.810 2.123) 3.326 2.389 ( -0.134 -1.015 0.117) 1.030 2.552 ( 1.514 -0.889 -2.775) 3.284 2.595 ( -1.693 3.511 -2.176) 4.464 2.708 ( -4.229 0.911 10.342) 11.210 3.292 ( -3.126 -1.126 10.608) 11.116 3.644 ( 2.472 0.217 -4.299) 4.964 3.733 ( -0.419 1.588 -0.185) 1.653 4.379 ( -1.196 1.126 -1.097) 1.975 4.999 ( -1.503 -4.060 6.269) 7.619 5.346 ( 12.419 2.595 -19.073) 22.907 5.529 ( 3.443 -1.366 -12.632) 13.164 6.326 ( 2.398 4.461 -4.610) 6.848 6.825 ( 1.051 -2.528 -2.090) 3.444 7.880 ( 1.901 0.942 -1.177) 2.426 8.055 ( 1.458 -0.502 1.467) 2.129 9.849 ( -1.425 -0.149 -0.168) 1.442 9.992 ( -1.601 -1.415 2.013) 2.935 10.307 ( -4.989 4.377 1.837) 6.886 10.583 ( 0.943 -5.637 -1.993) 6.053 10.899 ( -1.106 0.832 -2.478) 2.839 11.142 ( 0.262 -1.167 -0.490) 1.292 11.433 ( 3.145 1.700 1.920) 4.058 11.478 ( 4.392 1.010 3.759) 5.868 22.087 ( 0.203 0.368 -0.873) 0.969 22.206 ( -1.479 0.566 2.797) 3.214 22.407 ( 7.516 -1.696 -5.413) 9.417 22.859 ( 1.677 -2.396 6.379) 7.017 23.019 ( -4.625 2.773 -7.936) 9.594 23.407 ( 1.242 -3.982 4.028) 5.799 23.883 ( 3.287 7.767 -1.546) 8.574 24.215 ( -1.986 -3.071 -0.292) 3.669 ======================= Grid point 258 (102/216) ======================= q-point: (-0.36 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( 4.030 -0.943 1.273) 4.330 1.016 ( -1.969 -3.312 0.980) 3.975 1.220 ( -0.682 5.028 3.318) 6.062 1.345 ( -2.316 -0.156 -5.241) 5.732 1.403 ( -1.436 -2.386 -0.782) 2.893 1.556 ( -3.841 2.070 3.837) 5.810 1.636 ( 1.316 -1.813 0.636) 2.329 1.759 ( 3.208 -1.720 -2.518) 4.426 2.006 ( 5.175 0.952 -4.006) 6.613 2.119 ( -1.468 1.521 5.874) 6.242 2.318 ( 3.727 1.430 -0.191) 3.996 2.366 ( 2.372 0.588 -2.043) 3.185 2.449 ( 1.754 -4.273 -1.281) 4.793 2.702 ( -0.832 5.281 3.699) 6.501 2.833 ( -5.558 0.043 5.119) 7.556 3.354 ( -0.039 -3.366 2.827) 4.395 3.581 ( 2.501 0.438 -3.603) 4.407 3.761 ( 1.445 1.619 3.755) 4.337 4.435 ( -4.480 -0.226 2.916) 5.350 5.038 ( 7.723 1.655 -12.279) 14.600 5.065 ( -0.564 -1.042 2.749) 2.994 5.431 ( -1.172 -0.214 -7.253) 7.350 6.281 ( 1.137 1.494 -6.816) 7.070 6.800 ( 2.061 -1.320 6.271) 6.731 7.849 ( 0.962 0.133 -1.759) 2.009 8.048 ( 0.769 -0.040 1.963) 2.109 9.865 ( -0.747 -0.052 0.191) 0.773 10.022 ( -0.933 -0.445 2.568) 2.769 10.368 ( 1.646 0.616 -1.562) 2.351 10.555 ( -3.197 -0.783 0.208) 3.298 10.910 ( -2.719 -0.129 -3.545) 4.469 11.135 ( -0.472 -0.256 -0.509) 0.740 11.401 ( 2.679 0.523 0.302) 2.746 11.446 ( 3.299 0.014 2.238) 3.986 22.083 ( -0.526 0.350 -1.038) 1.215 22.258 ( 5.464 -1.132 -2.889) 6.284 22.283 ( -3.916 0.755 3.783) 5.497 22.863 ( 2.528 -1.961 8.831) 9.393 23.052 ( -4.218 2.327 -8.383) 9.669 23.394 ( 0.061 -3.192 3.700) 4.887 23.871 ( 3.421 7.190 -3.439) 8.674 24.199 ( -0.813 -4.246 -1.758) 4.667 ======================= Grid point 259 (103/216) ======================= q-point: (-0.27 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( 5.912 -1.296 2.063) 6.394 0.986 ( 2.521 -1.960 -3.120) 4.465 1.281 ( -0.617 2.993 -3.963) 5.005 1.380 ( -5.140 2.793 -0.638) 5.884 1.440 ( -5.405 -3.514 1.508) 6.621 1.584 ( 4.573 -0.771 0.999) 4.744 1.663 ( -3.214 3.472 1.418) 4.940 1.717 ( -1.770 -2.431 -1.020) 3.175 1.898 ( 3.697 -0.862 -4.017) 5.527 2.111 ( 6.358 -0.586 0.805) 6.435 2.254 ( 5.867 0.186 2.743) 6.480 2.280 ( 3.425 -0.699 -4.606) 5.782 2.430 ( -1.127 -0.779 0.043) 1.371 2.718 ( 3.529 0.947 1.095) 3.814 2.987 ( -7.591 4.769 -0.352) 8.972 3.267 ( 5.029 -5.263 -6.612) 9.834 3.521 ( 1.752 0.264 -2.196) 2.822 3.750 ( 4.075 0.537 3.746) 5.561 4.486 ( 2.471 0.291 0.611) 2.562 4.943 ( -4.726 -0.031 4.099) 6.256 5.142 ( -4.209 0.316 1.242) 4.399 5.462 ( -4.645 0.240 2.640) 5.348 6.220 ( 0.883 -0.010 -6.708) 6.765 6.824 ( 2.630 -0.339 11.974) 12.264 7.830 ( -0.091 -0.124 -1.602) 1.609 8.058 ( -0.249 0.087 1.961) 1.979 9.874 ( -0.064 0.070 0.030) 0.100 10.048 ( 0.015 0.111 2.837) 2.839 10.281 ( 5.554 -0.797 -2.586) 6.179 10.641 ( -5.130 0.964 1.327) 5.386 10.928 ( -3.820 -0.549 -5.480) 6.702 11.146 ( -1.719 0.357 -1.235) 2.146 11.367 ( 1.442 0.039 -1.138) 1.838 11.400 ( 3.344 -0.689 0.597) 3.466 22.099 ( -1.819 0.586 -0.858) 2.095 22.159 ( 3.432 -1.029 -2.127) 4.167 22.405 ( -5.459 0.898 5.996) 8.158 22.871 ( 3.752 -1.053 10.268) 10.983 23.064 ( -2.852 1.371 -8.353) 8.932 23.413 ( -2.026 -1.751 3.010) 4.028 23.844 ( 2.351 4.402 -4.024) 6.411 24.150 ( 0.565 -3.383 -3.514) 4.910 ======================= Grid point 260 (104/216) ======================= q-point: (-0.18 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( 5.696 0.000 1.085) 5.799 0.871 ( 7.717 -0.000 -3.348) 8.412 1.267 ( -4.267 -0.000 -11.598) 12.358 1.443 ( -0.570 -0.000 -0.795) 0.978 1.465 ( 7.682 0.000 3.030) 8.258 1.575 ( -5.844 0.000 3.207) 6.666 1.720 ( 0.906 0.000 0.841) 1.236 1.748 ( -6.208 -0.000 -2.390) 6.653 1.816 ( 3.782 -0.000 -2.546) 4.559 1.939 ( 12.064 -0.000 -3.793) 12.647 2.178 ( 5.445 0.000 5.368) 7.647 2.251 ( -2.951 -0.000 -2.621) 3.947 2.438 ( -0.376 -0.000 -3.805) 3.824 2.612 ( 6.341 -0.000 -10.660) 12.404 3.053 ( 9.554 -0.000 -3.878) 10.311 3.068 ( -0.900 -0.000 -8.943) 8.988 3.553 ( -6.204 0.000 3.599) 7.172 3.714 ( 4.660 0.000 5.447) 7.169 4.418 ( 3.534 -0.000 -1.516) 3.846 5.183 ( -12.117 0.000 17.415) 21.216 5.210 ( -3.825 -0.000 -0.738) 3.895 5.609 ( -7.284 0.000 10.363) 12.667 6.161 ( 0.802 -0.000 -5.523) 5.581 6.878 ( 2.762 0.000 14.702) 14.960 7.827 ( -0.834 -0.000 -1.058) 1.347 8.084 ( -1.242 0.000 1.612) 2.035 9.862 ( 1.038 -0.000 -1.696) 1.989 10.062 ( 0.874 0.000 2.685) 2.823 10.166 ( 6.616 0.000 -0.602) 6.643 10.728 ( -4.121 -0.000 0.570) 4.160 10.941 ( -4.193 -0.000 -7.746) 8.808 11.174 ( -3.152 -0.000 -2.953) 4.319 11.344 ( -0.307 -0.000 -2.495) 2.514 11.344 ( 3.582 0.000 0.992) 3.716 22.094 ( 2.388 -0.000 -1.434) 2.786 22.141 ( -3.504 -0.000 -0.509) 3.541 22.545 ( -5.460 0.000 7.003) 8.880 22.872 ( 4.886 0.000 9.981) 11.112 23.045 ( -1.714 -0.000 -8.175) 8.353 23.476 ( -4.102 0.000 2.654) 4.885 23.813 ( 0.422 -0.000 -3.335) 3.361 24.082 ( 1.957 -0.000 -5.229) 5.583 ======================= Grid point 265 (105/216) ======================= q-point: ( 0.27 0.09 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.356 ( 0.000 5.210 14.605) 15.506 0.404 ( 0.000 8.911 13.555) 16.222 0.954 ( 0.000 -0.347 15.461) 15.464 1.015 ( -0.000 11.299 -0.420) 11.306 1.238 ( 0.000 1.090 15.293) 15.332 1.324 ( 0.000 18.530 21.274) 28.213 1.552 ( -0.000 7.213 0.135) 7.214 1.818 ( -0.000 -2.362 -2.327) 3.316 1.820 ( 0.000 7.776 2.158) 8.070 1.879 ( -0.000 5.750 -0.049) 5.750 2.084 ( -0.000 -2.797 -1.762) 3.306 2.116 ( 0.000 -11.526 -0.447) 11.535 2.419 ( 0.000 -8.929 1.428) 9.043 2.552 ( -0.000 -0.689 -1.234) 1.413 2.889 ( -0.000 5.607 -6.903) 8.893 3.223 ( -0.000 2.807 -11.293) 11.636 3.269 ( 0.000 9.519 4.130) 10.376 4.073 ( -0.000 -0.631 -3.082) 3.146 4.378 ( 0.000 1.215 2.315) 2.614 5.222 ( -0.000 -6.200 -5.665) 8.398 5.856 ( -0.000 0.271 -1.428) 1.454 6.135 ( -0.000 -1.906 -10.587) 10.757 6.390 ( -0.000 7.389 -6.923) 10.125 6.990 ( -0.000 -0.590 -15.865) 15.876 7.916 ( 0.000 2.071 1.721) 2.693 8.168 ( -0.000 -1.209 -0.366) 1.264 9.714 ( 0.000 5.716 7.797) 9.668 9.747 ( -0.000 -0.004 -1.144) 1.144 9.984 ( 0.000 -2.817 -0.164) 2.822 10.832 ( -0.000 2.711 -1.765) 3.235 10.954 ( 0.000 -12.133 1.928) 12.286 11.286 ( -0.000 -2.879 -3.620) 4.625 11.519 ( 0.000 3.435 1.762) 3.861 11.587 ( 0.000 5.093 2.439) 5.647 22.038 ( 0.000 1.184 0.641) 1.347 22.317 ( -0.000 -2.129 -0.731) 2.251 22.782 ( -0.000 0.993 -3.686) 3.817 22.830 ( -0.000 0.340 -1.753) 1.785 23.036 ( -0.000 2.157 -1.470) 2.610 23.679 ( -0.000 -4.245 -6.920) 8.119 23.867 ( 0.000 1.602 5.555) 5.782 23.945 ( 0.000 0.516 7.568) 7.585 ======================= Grid point 266 (106/216) ======================= q-point: ( 0.36 0.09 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.514 ( -3.255 4.931 13.347) 14.596 0.645 ( -6.743 10.851 5.253) 13.814 1.122 ( -5.329 5.976 -1.768) 8.200 1.150 ( -6.914 -2.930 19.392) 20.795 1.376 ( -0.740 1.687 14.946) 15.059 1.550 ( 3.821 4.486 0.439) 5.908 1.647 ( -1.095 10.583 10.370) 14.857 1.801 ( -1.429 0.170 6.704) 6.856 1.896 ( -1.989 6.817 1.703) 7.302 1.934 ( 1.478 4.038 1.114) 4.442 2.048 ( -4.048 -4.641 4.762) 7.785 2.105 ( -4.617 -0.811 -0.408) 4.705 2.387 ( -1.194 -8.305 2.936) 8.889 2.532 ( 0.940 0.119 -0.822) 1.254 2.846 ( 4.637 5.903 -8.485) 11.329 3.119 ( 3.212 4.269 0.193) 5.346 3.453 ( -8.495 3.852 -3.951) 10.130 4.000 ( 4.110 -1.431 -5.383) 6.922 4.400 ( 1.763 2.218 3.085) 4.189 5.124 ( -0.139 -7.543 -5.208) 9.167 5.803 ( 4.237 1.265 -7.179) 8.431 5.994 ( 4.136 -1.650 -14.180) 14.862 6.362 ( 3.052 7.539 -9.015) 12.142 6.863 ( -1.902 -0.448 -20.701) 20.793 7.935 ( 1.710 2.540 2.147) 3.740 8.147 ( 0.992 -1.170 -0.290) 1.562 9.748 ( -1.376 0.460 0.770) 1.642 9.871 ( -4.745 5.110 7.136) 9.978 9.968 ( -1.225 -3.182 -0.030) 3.410 10.830 ( 1.370 -0.723 -1.450) 2.122 10.878 ( -0.668 -8.702 2.542) 9.091 11.230 ( -0.089 -3.186 -4.767) 5.734 11.517 ( 5.561 5.331 4.606) 8.976 11.623 ( 2.692 3.945 3.167) 5.731 22.055 ( -0.216 1.248 0.816) 1.507 22.278 ( 1.636 -2.174 -0.842) 2.848 22.772 ( -0.116 1.600 -5.106) 5.352 22.794 ( 1.455 0.428 -2.703) 3.099 23.021 ( 2.389 0.497 -1.137) 2.692 23.570 ( 1.597 -4.858 -4.850) 7.047 23.887 ( 3.273 2.824 5.950) 7.355 24.055 ( -4.399 1.160 4.596) 6.467 ======================= Grid point 267 (107/216) ======================= q-point: ( 0.45 0.09 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( -4.888 5.958 8.685) 11.611 0.857 ( -6.704 7.076 4.534) 10.750 1.230 ( -4.452 2.958 -1.008) 5.439 1.341 ( -2.961 -2.109 16.243) 16.645 1.389 ( 6.637 -4.205 2.276) 8.180 1.522 ( 3.574 3.862 1.100) 5.376 1.735 ( -2.460 5.299 2.643) 6.412 1.841 ( 1.274 -7.511 -0.226) 7.621 1.930 ( -1.631 6.357 3.669) 7.519 2.066 ( -3.541 5.044 7.356) 9.596 2.157 ( -3.252 -0.798 -1.463) 3.654 2.321 ( -11.117 5.254 17.961) 21.767 2.365 ( -0.309 -3.685 5.676) 6.774 2.522 ( 1.702 2.619 1.682) 3.547 2.743 ( 4.160 2.433 -7.670) 9.058 3.170 ( -2.651 2.499 5.477) 6.578 3.550 ( -6.174 1.514 -6.088) 8.802 3.854 ( 6.252 -1.508 -7.478) 9.864 4.398 ( 3.279 2.711 2.067) 4.730 5.041 ( -1.661 -7.278 -4.881) 8.920 5.634 ( 8.843 1.564 -12.207) 15.154 5.788 ( 7.334 -1.070 -14.211) 16.027 6.304 ( 2.004 5.668 -10.458) 12.063 6.765 ( -4.469 0.407 -19.309) 19.823 7.933 ( 2.660 2.237 1.415) 3.752 8.118 ( 1.561 -0.752 0.208) 1.746 9.784 ( -2.583 -0.235 -0.174) 2.599 9.965 ( -1.707 -2.337 0.491) 2.936 10.052 ( -5.371 4.699 7.566) 10.401 10.752 ( 2.202 -7.279 0.209) 7.608 10.872 ( -0.797 -1.396 0.278) 1.632 11.173 ( -0.392 -2.932 -4.934) 5.753 11.511 ( 5.316 5.158 5.403) 9.168 11.614 ( 4.811 2.824 3.751) 6.722 22.075 ( -0.296 1.035 0.814) 1.350 22.229 ( 1.756 -1.622 -0.333) 2.413 22.679 ( 7.160 0.731 -4.811) 8.656 22.802 ( -3.739 1.091 -5.437) 6.688 22.966 ( 1.732 -2.096 -1.032) 2.908 23.506 ( 0.170 -3.219 -0.373) 3.245 23.897 ( 3.851 3.982 4.287) 7.005 24.148 ( -3.232 0.561 2.126) 3.908 ======================= Grid point 268 (108/216) ======================= q-point: ( 0.55 0.09 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( -4.383 3.586 5.222) 7.703 1.044 ( -5.256 4.421 7.644) 10.276 1.230 ( 7.205 -4.674 -1.745) 8.763 1.293 ( -2.521 0.609 -0.511) 2.644 1.449 ( -0.885 -1.637 9.870) 10.044 1.475 ( 5.185 3.150 -1.348) 6.215 1.750 ( 1.617 -5.210 0.087) 5.456 1.873 ( -2.280 6.313 2.302) 7.096 1.994 ( 0.072 -1.299 3.742) 3.961 2.102 ( 2.420 1.016 1.939) 3.263 2.259 ( -4.710 4.365 3.505) 7.316 2.393 ( -1.086 -1.118 2.404) 2.866 2.521 ( -0.692 4.257 0.760) 4.380 2.572 ( 2.137 3.014 -0.439) 3.720 2.738 ( -4.021 -0.935 14.445) 15.023 3.304 ( -4.694 0.654 9.186) 10.336 3.601 ( -4.559 0.219 -5.769) 7.356 3.707 ( 3.034 0.413 -6.678) 7.347 4.379 ( 2.543 2.126 1.509) 3.642 4.985 ( -3.568 -4.930 -8.883) 10.768 5.399 ( 11.905 2.518 -11.897) 17.018 5.562 ( 7.165 -2.069 -8.918) 11.626 6.238 ( -0.865 2.445 -14.202) 14.437 6.739 ( -5.497 1.594 -12.298) 13.564 7.906 ( 2.938 1.098 -0.031) 3.137 8.093 ( 1.743 -0.006 1.116) 2.070 9.820 ( -2.264 -0.237 -0.185) 2.284 9.983 ( -2.202 -1.773 0.710) 2.915 10.225 ( -4.645 4.440 7.074) 9.557 10.659 ( 2.781 -6.181 0.276) 6.784 10.870 ( -0.792 -1.370 -1.331) 2.068 11.129 ( -0.992 -2.002 -4.470) 4.997 11.499 ( 5.032 3.383 3.744) 7.126 11.578 ( 5.545 1.937 4.257) 7.254 22.086 ( 0.271 0.367 0.167) 0.486 22.207 ( -0.161 -0.457 1.246) 1.337 22.511 ( 8.754 -0.644 -4.704) 9.959 22.839 ( -4.930 1.437 -6.349) 8.166 22.934 ( -0.657 -2.583 -0.166) 2.671 23.491 ( 1.042 -2.133 3.728) 4.420 23.888 ( 4.696 5.531 1.478) 7.404 24.196 ( -2.340 -1.508 -0.061) 2.784 ======================= Grid point 269 (109/216) ======================= q-point: ( 0.64 0.09 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( -2.487 -1.522 2.752) 4.009 1.075 ( 5.114 -1.491 -0.789) 5.385 1.209 ( -3.267 2.711 5.616) 7.040 1.319 ( -1.058 -2.568 2.430) 3.690 1.413 ( 3.621 3.467 -2.140) 5.451 1.515 ( -2.594 -0.201 5.295) 5.900 1.694 ( 2.391 -2.763 1.546) 3.967 1.837 ( 5.572 -1.524 -1.519) 5.973 2.050 ( 2.724 -0.026 -1.064) 2.925 2.107 ( -2.271 3.394 5.775) 7.074 2.332 ( 1.868 3.527 -0.769) 4.064 2.389 ( 0.965 -0.034 0.378) 1.037 2.491 ( 0.712 -2.442 -2.403) 3.499 2.647 ( -1.455 7.578 6.970) 10.398 2.857 ( -0.005 -1.868 8.670) 8.869 3.386 ( -1.025 -3.062 0.947) 3.366 3.576 ( 1.039 0.310 -4.880) 4.999 3.747 ( -4.010 3.305 2.678) 5.846 4.408 ( -2.462 0.588 6.124) 6.626 4.948 ( -5.800 -1.256 -14.042) 15.244 5.127 ( 11.869 0.717 -11.356) 16.442 5.445 ( 3.215 -1.618 3.229) 4.836 6.170 ( -3.339 0.236 -16.645) 16.978 6.779 ( -5.128 1.859 -4.381) 6.996 7.864 ( 2.262 0.094 -0.969) 2.462 8.079 ( 1.585 0.471 1.697) 2.369 9.849 ( -1.542 -0.104 0.215) 1.561 10.015 ( -2.039 -0.542 1.165) 2.410 10.361 ( -2.149 2.920 5.533) 6.615 10.577 ( 2.277 -3.774 1.088) 4.540 10.859 ( -1.607 -1.884 -2.964) 3.862 11.106 ( -1.413 -0.889 -4.319) 4.631 11.459 ( 4.855 1.650 1.534) 5.352 11.534 ( 5.235 1.014 3.754) 6.521 22.077 ( 0.481 -0.114 -0.462) 0.677 22.249 ( -2.920 0.469 3.102) 4.286 22.346 ( 7.326 -0.763 -3.002) 7.953 22.886 ( -5.272 2.017 -7.458) 9.354 22.938 ( -1.578 -2.617 1.918) 3.608 23.483 ( 2.522 -2.058 6.440) 7.216 23.861 ( 5.029 6.871 -1.433) 8.635 24.197 ( -1.640 -3.921 -2.213) 4.791 ======================= Grid point 270 (110/216) ======================= q-point: (-0.27 0.09 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( 1.745 -0.796 0.072) 1.919 1.011 ( 1.577 -2.883 -1.238) 3.512 1.280 ( 0.451 1.938 1.063) 2.256 1.341 ( 0.820 0.358 6.623) 6.683 1.407 ( -2.816 -1.439 2.202) 3.853 1.608 ( -2.629 2.872 2.881) 4.843 1.649 ( 2.508 -0.886 1.290) 2.957 1.737 ( 3.149 -2.117 -0.492) 3.826 1.946 ( 4.655 -1.048 -3.630) 5.995 2.189 ( 1.355 1.048 3.544) 3.937 2.277 ( 4.049 2.077 -3.111) 5.512 2.385 ( 2.446 0.571 3.217) 4.082 2.441 ( 2.114 -2.538 -0.504) 3.341 2.762 ( 1.485 3.556 3.783) 5.400 2.868 ( -1.103 2.443 -0.644) 2.757 3.321 ( 1.961 -5.422 -6.314) 8.550 3.526 ( 1.773 0.528 -3.447) 3.912 3.811 ( 1.769 2.561 2.851) 4.221 4.526 ( -0.908 0.238 7.669) 7.726 4.919 ( -0.264 0.470 -0.860) 1.015 5.001 ( -8.217 -0.834 -10.451) 13.320 5.461 ( -0.506 -0.656 8.679) 8.719 6.113 ( -4.463 -0.490 -15.863) 16.486 6.858 ( -4.149 1.302 1.717) 4.676 7.829 ( 1.023 -0.290 -1.113) 1.539 8.075 ( 0.927 0.496 1.734) 2.028 9.868 ( -0.654 -0.026 0.231) 0.694 10.052 ( -1.267 0.442 1.634) 2.114 10.373 ( 4.863 -0.680 2.102) 5.341 10.591 ( -2.910 0.423 4.536) 5.406 10.850 ( -2.622 -2.042 -4.604) 5.678 11.095 ( -1.796 -0.034 -4.721) 5.051 11.401 ( 3.883 0.468 -0.238) 3.919 11.480 ( 4.924 0.135 2.288) 5.431 22.072 ( -0.569 -0.064 -0.524) 0.776 22.219 ( 4.990 -0.859 -1.916) 5.414 22.355 ( -4.778 1.380 5.504) 7.418 22.924 ( -4.569 2.397 -9.029) 10.399 22.967 ( -1.134 -2.368 5.252) 5.871 23.471 ( 2.771 -2.120 7.021) 7.840 23.824 ( 4.389 7.004 -3.089) 8.824 24.155 ( -0.835 -5.397 -4.294) 6.947 ======================= Grid point 271 (111/216) ======================= q-point: (-0.18 0.09 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( 2.324 -1.576 -3.616) 4.578 0.940 ( 5.764 -0.777 3.922) 7.015 1.236 ( 5.611 1.052 -1.227) 5.839 1.395 ( -2.775 1.631 1.172) 3.426 1.508 ( -5.238 -1.593 8.504) 10.114 1.598 ( 5.055 0.268 1.045) 5.169 1.655 ( -2.064 1.904 -1.356) 3.118 1.725 ( -1.183 -0.781 0.397) 1.472 1.871 ( 2.599 -1.502 0.329) 3.020 2.108 ( 9.783 0.864 -1.354) 9.914 2.215 ( 2.392 -1.014 -2.476) 3.589 2.335 ( 5.899 -0.889 6.287) 8.666 2.413 ( -0.168 -0.614 -1.906) 2.010 2.648 ( 8.294 -0.172 -11.184) 13.924 2.949 ( -2.715 5.351 -4.167) 7.305 3.168 ( 5.215 -4.602 -5.293) 8.741 3.504 ( -1.829 -0.388 -0.186) 1.879 3.804 ( 3.001 0.943 3.627) 4.801 4.480 ( 6.043 0.516 -1.240) 6.191 5.093 ( -8.758 0.906 -4.259) 9.781 5.111 ( -12.768 -1.175 15.943) 20.459 5.569 ( -5.336 -0.090 9.083) 10.535 6.072 ( -4.011 -0.382 -13.286) 13.884 6.949 ( -2.837 0.561 5.512) 6.224 7.813 ( -0.189 -0.219 -0.765) 0.818 8.083 ( -0.094 0.279 1.390) 1.421 9.868 ( 0.688 -0.039 -0.642) 0.942 10.082 ( -0.189 0.661 1.802) 1.929 10.283 ( 6.762 -0.602 2.279) 7.161 10.686 ( -3.260 0.758 4.652) 5.731 10.841 ( -3.079 -1.896 -6.026) 7.028 11.095 ( -2.522 0.634 -5.317) 5.919 11.345 ( 2.199 -0.394 -1.588) 2.741 11.417 ( 4.458 -0.151 1.341) 4.658 22.090 ( -2.042 0.165 -0.382) 2.084 22.137 ( 3.502 -0.511 -0.993) 3.676 22.500 ( -6.120 1.050 7.103) 9.434 22.937 ( -3.264 1.469 -8.941) 9.631 22.999 ( 1.365 -1.076 7.025) 7.237 23.473 ( 0.461 -1.488 5.300) 5.525 23.794 ( 2.717 5.059 -2.905) 6.435 24.079 ( 0.333 -4.679 -5.907) 7.543 ======================= Grid point 272 (112/216) ======================= q-point: (-0.09 0.09 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( 5.981 -0.000 -4.428) 7.442 0.867 ( 9.210 0.000 8.063) 12.241 1.143 ( 2.685 -0.000 -5.178) 5.832 1.436 ( -0.197 -0.000 -0.270) 0.334 1.517 ( 6.837 0.000 3.426) 7.647 1.640 ( -3.327 0.000 5.823) 6.707 1.717 ( 1.705 -0.000 -0.878) 1.918 1.725 ( -5.888 -0.000 0.063) 5.888 1.805 ( 5.123 0.000 0.459) 5.144 1.888 ( 14.206 0.000 -3.287) 14.581 2.182 ( -1.726 -0.000 -1.703) 2.425 2.254 ( 12.974 -0.000 -19.797) 23.670 2.325 ( 2.655 0.000 8.891) 9.279 2.493 ( 0.042 -0.000 -3.308) 3.308 2.915 ( 1.895 -0.000 -10.970) 11.133 3.055 ( 5.203 0.000 1.749) 5.489 3.599 ( -8.710 -0.000 2.332) 9.017 3.792 ( 2.870 0.000 4.668) 5.479 4.396 ( 3.243 -0.000 -1.418) 3.539 5.186 ( -5.129 -0.000 -1.647) 5.387 5.455 ( -13.831 0.000 18.774) 23.319 5.753 ( -9.463 0.000 8.022) 12.406 6.036 ( -2.662 -0.000 -11.230) 11.542 7.032 ( -1.568 0.000 6.767) 6.946 7.818 ( -0.987 -0.000 -0.264) 1.021 8.102 ( -1.123 0.000 0.874) 1.423 9.831 ( 2.880 -0.000 -2.015) 3.515 10.092 ( 0.769 0.000 1.416) 1.612 10.196 ( 6.285 0.000 3.445) 7.167 10.755 ( -1.328 0.000 2.690) 3.000 10.830 ( -2.597 -0.000 -6.746) 7.228 11.109 ( -3.405 -0.000 -4.917) 5.981 11.310 ( 0.131 -0.000 -1.958) 1.962 11.365 ( 2.971 0.000 1.372) 3.273 22.080 ( 2.543 0.000 -0.573) 2.607 22.136 ( -3.727 -0.000 -0.201) 3.732 22.655 ( -5.468 0.000 7.999) 9.690 22.922 ( -2.219 -0.000 -8.691) 8.969 22.998 ( 4.663 0.000 6.819) 8.261 23.518 ( -3.120 0.000 3.023) 4.345 23.776 ( 0.290 -0.000 -1.726) 1.750 23.994 ( 1.960 -0.000 -6.182) 6.485 ======================= Grid point 273 (113/216) ======================= q-point: ( 0.00 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( 4.967 0.000 -0.000) 4.967 0.938 ( 7.865 0.000 -0.000) 7.865 1.108 ( 5.886 0.000 -0.000) 5.886 1.434 ( -0.023 -0.000 0.000) 0.023 1.544 ( 4.633 0.000 -0.000) 4.633 1.681 ( -2.708 -0.000 0.000) 2.708 1.709 ( 1.987 0.000 -0.000) 1.987 1.810 ( -8.945 -0.000 0.000) 8.945 1.811 ( 5.645 0.000 -0.000) 5.645 1.817 ( 17.010 0.000 -0.000) 17.010 2.055 ( 21.519 0.000 -0.000) 21.519 2.169 ( -2.383 -0.000 0.000) 2.383 2.411 ( 2.728 0.000 -0.000) 2.728 2.473 ( -1.556 -0.000 0.000) 1.556 2.814 ( 2.538 0.000 -0.000) 2.538 3.070 ( 4.172 0.000 -0.000) 4.172 3.616 ( -9.290 -0.000 0.000) 9.290 3.829 ( 1.815 0.000 -0.000) 1.815 4.384 ( 3.222 0.000 -0.000) 3.222 5.173 ( -5.700 -0.000 0.000) 5.700 5.641 ( -15.564 -0.000 0.000) 15.564 5.814 ( -10.091 -0.000 0.000) 10.091 5.906 ( -2.583 -0.000 0.000) 2.583 7.079 ( -3.258 -0.000 0.000) 3.258 7.817 ( -1.093 -0.000 0.000) 1.093 8.108 ( -1.063 -0.000 0.000) 1.063 9.815 ( 3.759 0.000 -0.000) 3.759 10.102 ( 0.721 0.000 -0.000) 0.721 10.228 ( 5.786 0.000 -0.000) 5.786 10.775 ( -1.647 -0.000 0.000) 1.647 10.782 ( 0.385 0.000 -0.000) 0.385 11.066 ( -4.022 -0.000 0.000) 4.022 11.294 ( 0.324 0.000 -0.000) 0.324 11.376 ( 2.675 0.000 -0.000) 2.675 22.076 ( 2.620 0.000 -0.000) 2.620 22.135 ( -3.808 -0.000 0.000) 3.808 22.750 ( -7.444 -0.000 0.000) 7.444 22.821 ( -0.456 -0.000 0.000) 0.456 23.050 ( 4.015 0.000 -0.000) 4.015 23.546 ( -2.144 -0.000 0.000) 2.144 23.764 ( 0.249 0.000 -0.000) 0.249 23.940 ( 1.975 0.000 -0.000) 1.975 ======================= Grid point 277 (114/216) ======================= q-point: ( 0.36 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.532 ( 0.000 10.378 9.881) 14.330 0.560 ( 0.000 10.334 8.200) 13.192 1.045 ( 0.000 1.846 4.161) 4.552 1.248 ( 0.000 0.499 22.261) 22.267 1.511 ( 0.000 -1.681 19.843) 19.914 1.561 ( 0.000 4.278 2.168) 4.796 1.617 ( 0.000 8.794 9.084) 12.643 1.847 ( 0.000 1.837 12.955) 13.084 1.859 ( 0.000 2.496 1.802) 3.078 1.898 ( 0.000 8.899 5.084) 10.249 2.048 ( -0.000 -0.120 -0.224) 0.254 2.134 ( 0.000 -9.751 2.910) 10.176 2.452 ( 0.000 -4.697 2.843) 5.491 2.530 ( -0.000 0.052 -1.636) 1.637 2.787 ( -0.000 5.439 -5.602) 7.808 3.069 ( -0.000 7.154 -8.543) 11.142 3.320 ( 0.000 5.503 2.462) 6.028 3.999 ( -0.000 -0.899 -7.349) 7.404 4.427 ( 0.000 1.933 4.213) 4.635 5.135 ( -0.000 -8.171 -6.922) 10.709 5.783 ( -0.000 1.878 -8.034) 8.250 5.910 ( -0.000 -0.749 -20.250) 20.264 6.255 ( -0.000 5.968 -11.125) 12.624 6.666 ( -0.000 0.218 -28.004) 28.005 7.946 ( 0.000 2.446 2.288) 3.349 8.159 ( -0.000 -0.756 -0.863) 1.148 9.729 ( -0.000 -0.096 -1.055) 1.059 9.871 ( 0.000 4.425 13.360) 14.074 9.978 ( -0.000 -2.193 -0.880) 2.363 10.829 ( 0.000 0.602 1.770) 1.870 10.990 ( 0.000 -11.828 2.866) 12.170 11.212 ( -0.000 -2.776 -6.415) 6.990 11.551 ( 0.000 5.642 2.645) 6.231 11.629 ( 0.000 5.347 3.073) 6.167 22.052 ( 0.000 0.853 1.336) 1.585 22.301 ( -0.000 -2.049 -1.431) 2.499 22.715 ( -0.000 1.039 -4.930) 5.039 22.794 ( -0.000 0.302 -3.111) 3.126 23.044 ( 0.000 -1.106 2.232) 2.491 23.577 ( -0.000 -6.131 -7.080) 9.366 23.941 ( 0.000 3.435 4.530) 5.685 24.040 ( 0.000 1.486 4.900) 5.121 ======================= Grid point 278 (115/216) ======================= q-point: ( 0.45 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.671 ( -0.275 11.500 6.280) 13.106 0.762 ( -5.150 5.672 11.976) 14.217 1.125 ( -4.607 2.539 2.017) 5.634 1.426 ( -0.851 2.377 16.958) 17.145 1.539 ( 4.152 0.049 -0.683) 4.209 1.600 ( 2.476 -3.041 11.182) 11.850 1.696 ( -1.742 1.218 4.450) 4.932 1.865 ( -0.141 4.357 1.049) 4.483 1.926 ( 1.121 -5.804 -0.747) 5.958 2.008 ( -1.673 8.271 7.764) 11.467 2.116 ( -2.968 -1.069 2.558) 4.062 2.272 ( -9.363 3.048 24.002) 25.943 2.450 ( 0.899 -3.176 4.914) 5.920 2.538 ( -0.643 1.669 3.955) 4.340 2.733 ( 6.035 5.630 -5.537) 9.939 3.107 ( -4.810 3.545 -1.042) 6.065 3.401 ( -4.591 2.575 -3.210) 6.166 3.890 ( 4.010 -2.073 -9.961) 10.936 4.452 ( 3.018 2.511 3.861) 5.506 5.015 ( -1.310 -8.139 -10.847) 13.624 5.680 ( 7.002 2.044 -9.036) 11.613 5.745 ( 2.112 1.014 -19.021) 19.165 6.200 ( 1.377 4.394 -13.343) 14.116 6.500 ( -5.073 1.644 -28.107) 28.608 7.967 ( 2.085 2.555 2.173) 3.949 8.141 ( 0.862 -0.433 -0.604) 1.139 9.743 ( -2.311 -0.278 -0.523) 2.386 9.960 ( -1.062 -2.055 -0.757) 2.434 10.028 ( -2.523 4.054 13.025) 13.873 10.825 ( 2.070 -1.235 0.934) 2.585 10.922 ( -0.718 -10.526 3.073) 10.989 11.144 ( -0.520 -2.742 -7.157) 7.682 11.583 ( 4.093 5.641 4.219) 8.147 11.671 ( 2.533 4.292 3.207) 5.927 22.071 ( -0.241 0.788 1.410) 1.633 22.263 ( 1.187 -2.058 -1.356) 2.735 22.693 ( -0.091 1.476 -5.146) 5.355 22.748 ( 2.451 0.372 -3.556) 4.335 23.021 ( 2.480 -3.039 0.740) 3.992 23.494 ( -2.318 -5.116 -5.350) 7.757 23.970 ( 3.684 3.603 5.215) 7.332 24.111 ( -2.175 2.279 2.862) 4.256 ======================= Grid point 279 (116/216) ======================= q-point: ( 0.55 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( -2.503 7.927 5.237) 9.825 0.962 ( -6.050 2.533 9.566) 11.598 1.229 ( -4.341 1.466 0.931) 4.676 1.424 ( 8.322 -4.965 2.268) 9.952 1.518 ( 4.330 5.524 4.985) 8.609 1.591 ( 2.854 -6.203 11.532) 13.402 1.775 ( -1.948 5.649 2.779) 6.590 1.834 ( 0.174 -6.752 -0.427) 6.768 1.965 ( -2.280 6.036 1.631) 6.655 2.129 ( -2.210 -1.040 -1.792) 3.030 2.191 ( -2.377 5.150 9.608) 11.157 2.417 ( 0.259 -1.662 0.466) 1.745 2.493 ( -0.444 1.610 1.861) 2.501 2.622 ( 5.853 5.289 6.644) 10.314 2.779 ( -6.826 1.436 20.889) 22.023 3.257 ( -7.938 2.457 7.229) 11.014 3.452 ( -5.779 -0.160 -7.336) 9.340 3.716 ( 4.902 -1.820 -11.575) 12.702 4.435 ( 4.331 2.720 3.100) 5.981 4.878 ( -2.004 -6.441 -18.315) 19.518 5.504 ( 11.475 2.565 -6.625) 13.496 5.590 ( 2.361 0.384 -10.777) 11.039 6.085 ( -0.276 0.194 -19.931) 19.934 6.471 ( -9.356 4.703 -19.852) 22.445 7.951 ( 3.421 1.576 1.031) 3.905 8.122 ( 1.325 0.425 0.332) 1.430 9.781 ( -2.716 -0.211 0.070) 2.725 9.963 ( -2.061 -1.780 -0.793) 2.836 10.197 ( -3.192 3.676 11.852) 12.814 10.758 ( 3.433 -4.470 0.833) 5.698 10.886 ( -0.937 -6.543 0.995) 6.685 11.087 ( -1.278 -2.237 -6.760) 7.234 11.580 ( 5.362 4.730 3.945) 8.166 11.668 ( 4.475 3.183 3.505) 6.515 22.089 ( -0.095 0.402 1.183) 1.253 22.223 ( 0.697 -1.417 -0.442) 1.640 22.614 ( 7.408 0.925 -3.966) 8.454 22.718 ( -2.324 1.143 -5.681) 6.244 22.955 ( 0.060 -5.478 -0.747) 5.529 23.496 ( -3.398 -1.533 -0.880) 3.830 23.961 ( 5.538 3.571 4.428) 7.939 24.168 ( -1.595 1.002 0.639) 1.990 ======================= Grid point 280 (117/216) ======================= q-point: ( 0.64 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( -3.635 2.049 4.487) 6.128 1.128 ( -6.496 0.819 2.700) 7.082 1.241 ( 9.977 -4.747 2.688) 11.371 1.301 ( -2.874 0.053 1.062) 3.065 1.478 ( 7.435 4.633 3.123) 9.300 1.586 ( 2.103 -4.434 8.901) 10.164 1.762 ( 0.488 -5.192 1.735) 5.496 1.887 ( 1.451 4.383 0.077) 4.618 2.044 ( -4.729 0.312 2.676) 5.443 2.103 ( 3.034 1.906 -1.779) 4.001 2.318 ( -0.198 4.872 3.302) 5.888 2.397 ( 0.149 -0.416 -1.643) 1.701 2.481 ( 0.768 1.804 -1.718) 2.607 2.676 ( 3.271 6.898 13.417) 15.437 2.964 ( 0.616 -2.572 12.768) 13.039 3.390 ( -1.025 -2.464 -0.705) 2.760 3.521 ( -4.953 -0.121 -4.588) 6.752 3.635 ( -5.865 3.512 0.060) 6.837 4.438 ( 1.082 2.112 7.509) 7.875 4.738 ( -5.749 -4.393 -21.873) 23.038 5.250 ( 13.790 1.374 -9.685) 16.907 5.542 ( 2.125 -0.456 4.428) 4.932 5.953 ( -4.613 -1.682 -24.126) 24.620 6.560 ( -10.667 5.184 -12.076) 16.926 7.905 ( 3.481 0.326 -0.150) 3.499 8.110 ( 1.706 1.106 1.170) 2.346 9.822 ( -2.211 -0.019 0.650) 2.305 9.986 ( -2.545 -0.679 -0.404) 2.665 10.353 ( -2.767 2.838 10.286) 11.023 10.671 ( 3.809 -4.185 1.234) 5.792 10.851 ( -1.043 -5.246 -1.684) 5.608 11.050 ( -1.694 -1.326 -6.133) 6.499 11.543 ( 6.127 3.157 2.298) 7.266 11.636 ( 5.414 2.058 3.433) 6.733 22.090 ( 0.754 -0.396 0.289) 0.899 22.228 ( -1.813 -0.182 1.553) 2.394 22.457 ( 8.693 -0.061 -2.872) 9.156 22.736 ( -3.804 2.124 -6.989) 8.236 22.935 ( -3.344 -5.395 -0.194) 6.351 23.542 ( -1.250 0.854 3.123) 3.470 23.916 ( 6.913 3.768 2.317) 8.207 24.184 ( -1.094 -1.736 -1.571) 2.585 ======================= Grid point 281 (118/216) ======================= q-point: ( 0.73 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( -0.623 -3.801 2.274) 4.473 1.063 ( 5.763 -2.587 -0.271) 6.323 1.236 ( -4.861 -1.002 -0.447) 4.984 1.358 ( -2.864 1.469 -2.120) 3.854 1.455 ( 4.296 3.204 9.925) 11.279 1.596 ( 0.278 -0.296 5.620) 5.634 1.726 ( 2.165 -3.556 2.996) 5.129 1.824 ( 5.536 -0.961 -0.215) 5.623 2.003 ( 4.726 -1.034 -4.328) 6.491 2.183 ( -3.643 3.105 3.946) 6.203 2.310 ( 4.418 3.056 -1.523) 5.584 2.398 ( -0.506 0.905 0.401) 1.112 2.488 ( 1.694 1.703 1.523) 2.844 2.788 ( 1.816 6.292 12.174) 13.824 2.921 ( 6.868 -1.506 -0.690) 7.064 3.326 ( -0.168 -5.277 -7.666) 9.309 3.517 ( 0.179 0.418 -2.652) 2.691 3.793 ( -2.709 5.087 2.577) 6.314 4.567 ( -3.577 0.800 14.221) 14.686 4.714 ( -12.491 -2.825 -14.860) 19.617 4.998 ( 8.954 -0.401 -5.310) 10.418 5.553 ( 2.168 -0.733 8.679) 8.975 5.868 ( -8.422 -1.595 -23.993) 25.478 6.703 ( -10.402 3.996 -5.680) 12.507 7.853 ( 2.484 -0.331 -0.587) 2.574 8.101 ( 1.688 1.142 1.337) 2.438 9.856 ( -1.348 -0.029 0.752) 1.544 10.025 ( -2.365 0.658 0.261) 2.469 10.457 ( 1.279 0.851 7.048) 7.214 10.611 ( 1.059 -1.691 3.620) 4.134 10.814 ( -1.798 -4.673 -3.286) 5.989 11.026 ( -1.760 -0.355 -6.273) 6.525 11.475 ( 6.062 1.697 0.729) 6.337 11.580 ( 5.756 0.922 2.450) 6.323 22.073 ( 0.531 -0.645 -0.159) 0.850 22.284 ( -0.183 -0.671 0.814) 1.071 22.329 ( 2.824 1.408 1.270) 3.402 22.767 ( -4.295 2.615 -7.689) 9.188 22.964 ( -4.743 -4.557 1.023) 6.656 23.583 ( 2.071 1.515 6.860) 7.325 23.843 ( 6.847 4.717 -0.886) 8.362 24.153 ( -0.859 -4.881 -3.606) 6.129 ======================= Grid point 282 (119/216) ======================= q-point: (-0.18 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( 1.989 -5.007 -1.764) 5.669 1.002 ( 2.049 1.363 0.088) 2.462 1.299 ( -0.884 -0.456 2.069) 2.295 1.368 ( -0.610 0.803 -1.218) 1.581 1.528 ( -1.612 0.371 9.447) 9.591 1.630 ( 0.506 2.055 0.257) 2.132 1.684 ( 3.609 -1.349 4.204) 5.703 1.738 ( 3.298 -0.594 0.169) 3.356 1.914 ( 1.504 -1.857 -0.801) 2.521 2.198 ( 6.277 3.480 -1.897) 7.424 2.270 ( 2.192 -0.526 1.628) 2.781 2.414 ( -0.120 -0.288 0.538) 0.622 2.459 ( 4.450 0.677 3.232) 5.541 2.728 ( 10.657 -1.100 -8.983) 13.981 2.883 ( 0.888 4.772 4.179) 6.405 3.215 ( 1.978 -3.825 -7.069) 8.277 3.493 ( 0.369 -0.573 -1.147) 1.334 3.843 ( 1.439 3.217 1.552) 3.851 4.591 ( 8.588 0.863 1.391) 8.743 4.845 ( -15.227 -0.482 -8.417) 17.405 5.049 ( -10.875 -2.177 15.698) 19.220 5.589 ( -0.353 -0.631 7.257) 7.292 5.847 ( -9.685 -0.661 -19.617) 21.888 6.860 ( -8.730 2.351 -0.857) 9.081 7.817 ( 1.035 -0.428 -0.491) 1.223 8.095 ( 1.069 0.804 1.037) 1.693 9.872 ( -0.158 -0.112 0.285) 0.345 10.069 ( -1.521 1.306 0.754) 2.142 10.415 ( 6.491 -0.631 3.053) 7.201 10.674 ( -2.775 0.406 6.214) 6.818 10.788 ( -2.483 -4.083 -3.478) 5.910 11.010 ( -2.007 0.585 -6.391) 6.725 11.396 ( 4.942 0.419 -0.421) 4.977 11.507 ( 5.563 0.163 1.279) 5.711 22.067 ( -0.681 -0.486 -0.204) 0.861 22.201 ( 4.953 -0.241 -0.709) 5.009 22.436 ( -6.212 1.648 5.350) 8.363 22.799 ( -3.955 2.452 -7.536) 8.857 23.019 ( -4.366 -3.106 2.060) 5.740 23.589 ( 5.213 -0.170 8.592) 10.051 23.779 ( 4.725 7.012 -3.484) 9.145 24.085 ( -0.735 -7.220 -4.700) 8.646 ======================= Grid point 283 (120/216) ======================= q-point: (-0.09 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( 2.676 -3.498 -2.849) 5.246 1.000 ( 2.812 2.106 2.373) 4.239 1.233 ( 8.592 1.096 0.181) 8.664 1.405 ( -2.782 -0.253 0.300) 2.810 1.599 ( 1.737 0.439 0.812) 1.967 1.639 ( -1.178 1.263 -0.324) 1.757 1.675 ( -1.332 -0.166 9.252) 9.349 1.721 ( -0.810 -0.821 -0.425) 1.229 1.888 ( 2.462 -1.319 1.068) 2.990 2.069 ( 11.988 3.211 -3.559) 12.911 2.195 ( 3.331 -3.492 -0.704) 4.877 2.377 ( 10.185 -0.344 -1.424) 10.290 2.428 ( 4.105 -0.234 2.796) 4.972 2.481 ( 3.599 -0.533 -6.600) 7.536 2.878 ( 2.323 0.857 -4.322) 4.981 3.129 ( 3.273 -0.226 -0.755) 3.366 3.507 ( -4.179 -1.019 0.286) 4.311 3.845 ( 1.804 1.322 1.620) 2.761 4.463 ( 6.689 0.309 -0.757) 6.739 5.037 ( -11.742 1.134 -2.142) 11.990 5.355 ( -14.286 -1.962 13.703) 19.892 5.670 ( -5.644 -0.356 4.002) 6.928 5.870 ( -7.510 0.154 -11.952) 14.116 6.995 ( -6.107 0.901 1.309) 6.310 7.806 ( -0.292 -0.211 -0.193) 0.409 8.097 ( 0.033 0.367 0.513) 0.632 9.860 ( 1.601 -0.136 -0.290) 1.633 10.099 ( -0.347 0.919 0.623) 1.163 10.321 ( 6.975 0.120 1.980) 7.251 10.749 ( -2.049 0.255 1.457) 2.527 10.780 ( -2.160 -3.396 -0.412) 4.046 11.016 ( -2.947 1.401 -4.291) 5.390 11.327 ( 2.877 -0.513 -0.747) 3.017 11.432 ( 4.548 -0.039 0.559) 4.582 22.087 ( -2.283 -0.197 -0.103) 2.294 22.128 ( 3.724 -0.076 -0.261) 3.734 22.599 ( -7.409 1.108 5.493) 9.290 22.819 ( -2.641 1.553 -6.200) 6.916 23.067 ( -1.245 -1.232 2.296) 2.888 23.551 ( 3.625 -1.253 4.192) 5.682 23.760 ( 2.671 6.816 -1.624) 7.499 24.001 ( -0.051 -6.760 -3.682) 7.698 ======================= Grid point 289 (121/216) ======================= q-point: ( 0.45 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.657 ( 0.000 13.800 7.808) 15.855 0.659 ( 0.000 11.212 5.978) 12.707 1.122 ( 0.000 -1.024 5.986) 6.073 1.450 ( 0.000 9.655 2.918) 10.087 1.608 ( -0.000 -0.767 -3.481) 3.565 1.669 ( 0.000 -6.423 12.959) 14.463 1.743 ( 0.000 2.866 9.662) 10.078 1.885 ( 0.000 -3.492 3.364) 4.849 1.936 ( -0.000 -0.907 -1.539) 1.786 2.074 ( 0.000 4.656 20.106) 20.638 2.128 ( 0.000 -3.396 2.949) 4.498 2.342 ( 0.000 0.148 20.714) 20.714 2.463 ( -0.000 6.152 -3.018) 6.852 2.537 ( 0.000 3.722 9.603) 10.299 2.798 ( 0.000 -2.361 9.388) 9.680 2.990 ( -0.000 4.512 -2.450) 5.134 3.338 ( -0.000 2.746 0.314) 2.764 3.859 ( -0.000 -1.375 -12.162) 12.240 4.492 ( 0.000 1.798 4.357) 4.714 4.989 ( -0.000 -9.798 -14.472) 17.477 5.568 ( -0.000 1.491 -26.119) 26.162 5.667 ( -0.000 5.342 -6.652) 8.531 6.084 ( -0.000 4.242 -12.080) 12.803 6.215 ( -0.000 1.419 -32.941) 32.972 7.980 ( 0.000 2.515 2.414) 3.486 8.143 ( -0.000 -0.142 -1.443) 1.450 9.722 ( 0.000 -0.086 0.319) 0.330 9.952 ( -0.000 -0.844 -2.506) 2.644 10.089 ( 0.000 2.714 16.052) 16.279 10.879 ( 0.000 -3.496 4.742) 5.892 11.030 ( 0.000 -11.422 2.469) 11.686 11.101 ( -0.000 -2.578 -8.959) 9.322 11.593 ( 0.000 6.884 2.982) 7.502 11.669 ( 0.000 5.775 2.285) 6.211 22.077 ( 0.000 0.381 2.064) 2.098 22.276 ( -0.000 -1.847 -2.111) 2.805 22.653 ( -0.000 0.360 -3.351) 3.371 22.743 ( -0.000 0.208 -3.772) 3.777 23.089 ( 0.000 -4.010 3.815) 5.534 23.477 ( -0.000 -7.664 -6.826) 10.264 23.998 ( 0.000 4.999 3.418) 6.056 24.086 ( 0.000 3.794 1.681) 4.149 ======================= Grid point 290 (122/216) ======================= q-point: ( 0.55 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.741 ( 0.632 11.791 4.052) 12.484 0.931 ( -6.738 7.580 10.523) 14.614 1.170 ( -2.444 -0.214 3.692) 4.433 1.490 ( 3.202 6.511 -2.942) 7.830 1.594 ( -0.303 0.053 1.846) 1.871 1.701 ( 1.422 -1.735 9.182) 9.452 1.828 ( 1.588 -3.542 6.066) 7.201 1.884 ( -2.319 1.701 2.517) 3.821 1.916 ( -0.222 -3.775 0.630) 3.834 2.109 ( 1.355 -1.498 4.759) 5.170 2.226 ( 1.220 3.511 14.370) 14.843 2.410 ( -1.098 -0.951 -2.627) 3.002 2.481 ( 2.064 6.610 -2.335) 7.308 2.776 ( 6.541 -0.990 12.563) 14.198 2.819 ( -7.542 3.695 30.104) 31.254 3.113 ( -10.864 0.817 2.650) 11.212 3.368 ( -1.292 1.096 -0.335) 1.727 3.710 ( 3.658 -2.714 -15.100) 15.772 4.500 ( 2.953 1.529 2.135) 3.952 4.784 ( 1.142 -7.796 -21.232) 22.647 5.445 ( -3.700 3.567 -19.505) 20.170 5.600 ( 7.869 3.955 -4.019) 9.681 5.958 ( 1.844 -0.205 -21.214) 21.295 6.123 ( -8.634 5.637 -20.434) 22.888 7.996 ( 2.554 2.148 1.911) 3.845 8.130 ( 0.457 0.539 -0.903) 1.147 9.746 ( -2.019 -0.021 1.069) 2.285 9.936 ( -1.245 -0.920 -2.576) 3.006 10.235 ( -1.402 2.292 15.068) 15.305 10.853 ( 2.867 -3.986 2.611) 5.561 10.954 ( -0.612 -10.945 -0.005) 10.962 11.032 ( -1.306 -2.143 -7.123) 7.552 11.637 ( 3.613 5.996 3.203) 7.699 11.711 ( 2.134 4.709 2.196) 5.617 22.096 ( -0.176 0.197 2.018) 2.036 22.239 ( 0.586 -1.768 -1.867) 2.637 22.633 ( 0.442 0.741 -3.064) 3.184 22.695 ( 2.642 0.301 -3.689) 4.547 23.034 ( 3.728 -6.276 0.984) 7.365 23.423 ( -5.620 -4.960 -4.284) 8.634 24.036 ( 3.354 4.512 3.857) 6.818 24.137 ( -0.746 3.672 0.789) 3.829 ======================= Grid point 291 (123/216) ======================= q-point: ( 0.64 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( -3.973 6.749 2.475) 8.213 1.098 ( -1.688 0.592 8.758) 8.939 1.247 ( -3.840 0.976 1.222) 4.146 1.421 ( 5.874 -0.607 -2.392) 6.372 1.614 ( 5.803 1.124 7.955) 9.910 1.733 ( 0.838 -1.876 5.842) 6.192 1.816 ( -0.775 -3.396 2.694) 4.404 1.844 ( 1.022 -1.758 3.191) 3.784 1.986 ( -1.175 3.994 1.627) 4.470 2.111 ( 0.522 -0.268 -0.759) 0.959 2.307 ( 0.374 3.389 2.971) 4.522 2.374 ( 0.677 1.335 -4.646) 4.881 2.489 ( 3.011 4.986 4.163) 7.159 2.807 ( 3.301 2.107 15.792) 16.271 3.083 ( -0.915 -1.576 15.442) 15.550 3.332 ( -9.507 -1.544 -5.567) 11.124 3.415 ( -2.930 1.284 9.719) 10.232 3.548 ( -0.748 0.201 -7.814) 7.852 4.499 ( 1.968 2.580 6.359) 7.139 4.547 ( -2.487 -7.112 -25.058) 26.166 5.364 ( 7.857 2.998 -11.645) 14.364 5.503 ( -1.498 2.124 -8.433) 8.825 5.795 ( 0.895 -2.463 -13.311) 13.567 6.216 ( -12.498 7.064 -15.430) 21.076 7.963 ( 4.005 0.787 0.596) 4.125 8.126 ( 0.955 1.602 0.276) 1.886 9.792 ( -2.365 0.112 1.552) 2.831 9.941 ( -2.355 -0.373 -2.196) 3.241 10.381 ( -2.021 1.612 13.303) 13.552 10.775 ( 3.962 -4.237 1.250) 5.934 10.874 ( -1.041 -7.856 -4.158) 8.949 10.998 ( -1.601 -2.790 -4.035) 5.160 11.624 ( 5.779 4.730 2.221) 7.791 11.711 ( 3.980 3.421 2.324) 5.740 22.108 ( 0.369 -0.420 1.325) 1.438 22.216 ( -0.715 -0.915 -0.519) 1.272 22.568 ( 7.257 0.977 -2.315) 7.680 22.645 ( -0.714 0.731 -4.207) 4.329 22.943 ( -0.905 -7.841 -0.880) 7.942 23.484 ( -5.965 -0.369 -0.613) 6.008 24.021 ( 5.989 3.313 3.648) 7.755 24.167 ( -0.121 1.686 -0.758) 1.853 ======================= Grid point 292 (124/216) ======================= q-point: ( 0.73 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( -5.726 0.640 3.641) 6.816 1.141 ( -1.384 -3.438 -0.280) 3.716 1.267 ( 8.832 -4.523 0.395) 9.930 1.305 ( -1.833 0.324 0.092) 1.864 1.553 ( 7.423 5.382 4.920) 10.405 1.705 ( 3.791 -4.684 6.753) 9.051 1.805 ( -0.748 -6.589 4.330) 7.919 1.890 ( 2.226 2.429 0.740) 3.376 2.038 ( 1.482 -1.320 -4.036) 4.497 2.085 ( -4.125 5.229 0.524) 6.680 2.332 ( 1.879 3.970 -0.462) 4.417 2.362 ( -0.769 2.388 -2.330) 3.424 2.517 ( 3.452 4.960 5.035) 7.866 2.900 ( 3.806 4.472 15.574) 16.644 3.049 ( 6.980 -1.940 -1.002) 7.314 3.301 ( -0.249 -4.284 -8.670) 9.674 3.488 ( -3.091 -0.365 2.011) 3.705 3.694 ( -5.196 6.594 3.377) 9.049 4.425 ( -10.617 -6.253 -17.793) 21.643 4.633 ( -4.659 0.798 18.640) 19.230 5.135 ( 12.474 0.836 -6.233) 13.969 5.491 ( -9.212 -0.072 -22.500) 24.313 5.706 ( 2.744 -2.180 0.867) 3.611 6.402 ( -14.667 6.590 -9.039) 18.446 7.903 ( 3.775 -0.137 -0.107) 3.779 8.124 ( 1.629 1.840 0.710) 2.559 9.838 ( -1.837 0.025 1.305) 2.253 9.973 ( -2.915 0.824 -1.144) 3.239 10.510 ( -1.328 0.849 11.088) 11.200 10.689 ( 3.641 -3.097 0.999) 4.883 10.805 ( -1.950 -6.304 -5.216) 8.412 10.971 ( -1.065 -2.086 -3.969) 4.608 11.567 ( 6.865 3.265 1.014) 7.669 11.674 ( 5.342 2.036 1.797) 5.993 22.094 ( 1.056 -1.067 0.239) 1.520 22.249 ( -3.300 0.154 1.335) 3.563 22.427 ( 8.419 0.527 -1.253) 8.528 22.650 ( -2.341 1.776 -4.493) 5.369 22.930 ( -4.972 -6.758 -0.431) 8.401 23.577 ( -3.318 3.395 1.653) 5.027 23.952 ( 8.003 1.926 2.449) 8.588 24.155 ( 0.242 -1.708 -2.105) 2.721 ======================= Grid point 293 (125/216) ======================= q-point: (-0.18 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( 2.075 -6.700 1.167) 7.111 1.064 ( 6.000 -2.738 0.130) 6.596 1.225 ( -7.950 -0.456 -0.668) 7.991 1.330 ( -1.690 -0.016 -1.170) 2.056 1.561 ( 3.212 7.439 3.637) 8.882 1.658 ( 2.885 -1.416 2.141) 3.862 1.784 ( 0.209 -7.005 3.919) 8.030 1.829 ( 6.536 0.623 0.600) 6.593 1.947 ( 2.450 -2.056 -2.543) 4.086 2.213 ( -1.525 4.678 0.458) 4.942 2.300 ( 3.052 2.572 0.105) 3.993 2.399 ( -1.588 1.515 -0.165) 2.201 2.519 ( 4.230 4.316 1.963) 6.354 2.857 ( 10.894 1.056 -4.720) 11.920 2.979 ( 5.714 0.800 12.274) 13.562 3.194 ( -0.213 -3.106 -9.905) 10.383 3.506 ( 1.235 -0.220 0.506) 1.352 3.812 ( -1.689 6.195 0.294) 6.428 4.524 ( -17.717 -4.121 -6.885) 19.450 4.766 ( 9.117 0.714 5.781) 10.818 5.036 ( -5.573 -2.489 11.524) 13.041 5.503 ( -13.734 -0.546 -20.655) 24.810 5.666 ( 2.732 -1.264 3.165) 4.368 6.636 ( -13.662 4.786 -2.884) 14.760 7.847 ( 2.577 -0.493 -0.189) 2.630 8.115 ( 1.723 1.484 0.499) 2.328 9.867 ( -1.028 -0.154 0.513) 1.160 10.025 ( -2.614 1.784 -0.105) 3.166 10.538 ( 5.493 -0.449 3.238) 6.392 10.679 ( -2.334 -1.510 5.322) 6.005 10.763 ( -2.773 -4.883 -3.938) 6.858 10.945 ( -0.869 -0.618 -3.915) 4.058 11.481 ( 6.756 1.777 0.170) 6.988 11.604 ( 5.999 0.863 0.825) 6.116 22.072 ( 0.510 -1.017 -0.030) 1.138 22.283 ( 4.499 -0.455 -0.234) 4.528 22.362 ( -3.500 2.008 1.872) 4.448 22.681 ( -3.050 2.386 -3.569) 5.266 22.971 ( -6.207 -5.286 0.177) 8.155 23.661 ( 0.117 6.611 3.210) 7.350 23.836 ( 8.864 0.715 -0.126) 8.894 24.106 ( -0.087 -5.677 -2.184) 6.083 ======================= Grid point 294 (126/216) ======================= q-point: (-0.09 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( 3.143 -6.424 -0.000) 7.152 1.004 ( 1.533 2.491 0.000) 2.925 1.326 ( 2.845 0.932 0.000) 2.994 1.348 ( -6.352 -1.339 -0.000) 6.492 1.595 ( 0.539 4.205 0.000) 4.239 1.627 ( 0.863 0.096 0.000) 0.869 1.738 ( 4.211 0.451 0.000) 4.235 1.739 ( 1.793 -3.830 -0.000) 4.229 1.912 ( -0.392 -1.793 -0.000) 1.836 2.177 ( 7.874 4.680 0.000) 9.160 2.285 ( 2.709 -1.850 -0.000) 3.281 2.425 ( -0.291 1.123 0.000) 1.160 2.491 ( 2.907 1.588 0.000) 3.312 2.629 ( 14.295 -1.248 0.000) 14.349 2.927 ( 5.326 0.085 0.000) 5.326 3.152 ( 0.625 0.178 0.000) 0.650 3.486 ( -0.170 -1.433 -0.000) 1.443 3.854 ( 1.040 3.482 0.000) 3.634 4.597 ( 10.858 0.502 0.000) 10.870 4.780 ( -17.953 -0.307 -0.000) 17.955 5.226 ( -11.879 -3.702 -0.000) 12.442 5.646 ( -0.241 -0.861 -0.000) 0.895 5.647 ( -13.132 0.556 -0.000) 13.144 6.851 ( -10.452 2.649 -0.000) 10.782 7.814 ( 1.029 -0.451 0.000) 1.123 8.103 ( 1.119 0.907 0.000) 1.441 9.875 ( 0.119 -0.182 -0.000) 0.217 10.075 ( -1.628 1.711 0.000) 2.362 10.441 ( 7.045 -0.120 0.000) 7.046 10.726 ( -2.560 -2.521 -0.000) 3.593 10.769 ( -2.984 -2.801 -0.000) 4.093 10.948 ( -1.707 1.156 0.000) 2.062 11.392 ( 5.359 0.399 0.000) 5.374 11.516 ( 5.729 0.170 0.000) 5.731 22.066 ( -0.735 -0.662 -0.000) 0.989 22.196 ( 4.981 0.018 0.000) 4.981 22.484 ( -7.459 1.772 -0.000) 7.667 22.735 ( -3.030 2.421 0.000) 3.879 23.033 ( -5.442 -3.401 -0.000) 6.417 23.685 ( 8.486 -1.224 0.000) 8.574 23.726 ( 2.368 9.387 0.000) 9.681 24.045 ( -0.721 -8.451 -0.000) 8.481 ======================= Grid point 301 (127/216) ======================= q-point: ( 0.55 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( 0.000 11.925 4.815) 12.861 0.757 ( -0.000 14.948 5.681) 15.991 1.206 ( -0.000 -0.893 5.549) 5.621 1.433 ( -0.000 8.194 -3.485) 8.904 1.582 ( 0.000 -0.488 0.515) 0.709 1.746 ( 0.000 0.713 -1.099) 1.310 1.865 ( -0.000 1.807 6.176) 6.435 1.911 ( -0.000 -1.123 -1.284) 1.706 1.962 ( -0.000 -7.153 7.128) 10.098 2.156 ( 0.000 -1.128 1.446) 1.834 2.350 ( 0.000 4.819 -1.159) 4.956 2.372 ( -0.000 -1.254 -5.519) 5.659 2.487 ( -0.000 3.513 24.994) 25.240 2.941 ( -0.000 0.405 22.639) 22.643 3.006 ( 0.000 -7.734 14.127) 16.106 3.016 ( 0.000 2.914 16.358) 16.615 3.365 ( 0.000 3.021 6.257) 6.948 3.642 ( -0.000 -2.286 -18.109) 18.252 4.519 ( 0.000 -2.035 -2.888) 3.533 4.712 ( -0.000 -8.068 -22.947) 24.324 5.210 ( -0.000 6.643 -19.998) 21.072 5.582 ( 0.000 8.071 -9.719) 12.633 5.782 ( 0.000 0.960 -21.192) 21.214 5.919 ( 0.000 2.797 -10.439) 10.807 8.016 ( -0.000 2.256 2.483) 3.355 8.118 ( -0.000 0.526 -1.964) 2.033 9.740 ( 0.000 0.080 2.187) 2.188 9.904 ( 0.000 0.107 -3.917) 3.919 10.326 ( 0.000 1.085 16.523) 16.559 10.953 ( 0.000 -6.897 5.113) 8.586 10.954 ( 0.000 -2.210 -11.441) 11.652 11.056 ( 0.000 -10.861 0.931) 10.901 11.635 ( 0.000 7.283 2.792) 7.800 11.692 ( 0.000 6.270 0.791) 6.320 22.111 ( -0.000 -0.143 2.701) 2.705 22.241 ( 0.000 -1.520 -2.709) 3.106 22.620 ( 0.000 -0.126 -1.205) 1.212 22.689 ( 0.000 0.045 -3.581) 3.581 23.150 ( 0.000 -6.207 4.473) 7.651 23.382 ( 0.000 -8.508 -6.301) 10.588 24.040 ( -0.000 6.070 2.429) 6.538 24.096 ( -0.000 5.532 -0.069) 5.532 ======================= Grid point 302 (128/216) ======================= q-point: ( 0.64 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( 1.783 11.058 2.408) 11.457 1.058 ( -9.989 9.790 6.539) 15.440 1.225 ( 1.114 -1.101 4.352) 4.625 1.429 ( 2.433 4.871 -5.377) 7.652 1.619 ( -1.850 2.339 2.293) 3.761 1.776 ( -0.757 4.264 1.256) 4.510 1.856 ( 0.010 -6.653 0.072) 6.653 1.908 ( -1.729 -2.946 0.311) 3.430 1.997 ( 0.822 0.006 9.318) 9.354 2.169 ( 2.284 0.372 4.019) 4.638 2.298 ( 1.595 -0.547 -7.505) 7.693 2.340 ( 2.599 6.153 -4.683) 8.157 2.621 ( 7.230 0.628 22.095) 23.256 2.940 ( 0.931 -3.964 8.601) 9.516 3.108 ( -8.284 -5.484 1.582) 10.060 3.281 ( 0.092 1.773 19.369) 19.451 3.460 ( -1.505 3.163 8.858) 9.525 3.476 ( 0.434 -2.134 -7.148) 7.472 4.414 ( 0.568 -8.091 -24.221) 25.543 4.512 ( -2.032 -0.770 -4.676) 5.156 5.197 ( -2.070 6.579 -13.656) 15.299 5.508 ( 5.434 6.486 -11.527) 14.300 5.722 ( -3.281 0.994 -4.611) 5.746 5.907 ( -5.288 3.790 -11.345) 13.078 8.020 ( 3.234 1.371 1.340) 3.759 8.116 ( -0.258 1.623 -0.863) 1.856 9.774 ( -1.514 0.229 2.779) 3.173 9.889 ( -1.524 0.147 -3.715) 4.018 10.454 ( -0.870 0.328 15.007) 15.036 10.845 ( 0.437 -2.770 -10.496) 10.864 10.897 ( 2.502 -7.781 1.338) 8.282 11.005 ( -1.999 -7.904 0.673) 8.181 11.674 ( 3.922 6.116 1.854) 7.498 11.733 ( 1.503 5.081 0.928) 5.380 22.128 ( 0.077 -0.476 2.382) 2.431 22.209 ( -0.122 -1.269 -2.245) 2.581 22.605 ( 1.026 0.152 -0.722) 1.264 22.646 ( 2.473 0.255 -2.923) 3.837 23.046 ( 5.432 -8.858 0.593) 10.408 23.374 ( -8.338 -4.370 -2.369) 9.707 24.082 ( 2.862 5.004 2.545) 6.301 24.137 ( 0.216 4.784 -0.525) 4.817 ======================= Grid point 303 (129/216) ======================= q-point: ( 0.73 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( -4.657 5.722 0.791) 7.420 1.201 ( 2.840 -1.985 4.263) 5.493 1.267 ( -4.296 1.536 1.949) 4.961 1.372 ( 3.835 2.077 -3.576) 5.640 1.705 ( 5.194 -0.822 4.054) 6.640 1.755 ( -2.638 4.343 -1.072) 5.193 1.863 ( -1.665 -5.009 3.606) 6.393 1.892 ( -0.507 -4.366 0.799) 4.467 2.025 ( 2.375 1.978 3.384) 4.583 2.102 ( 6.460 -0.938 -0.810) 6.578 2.264 ( -2.881 2.567 -3.343) 5.105 2.336 ( 2.075 6.833 -1.948) 7.403 2.615 ( 7.487 2.077 8.561) 11.562 3.004 ( -2.069 -1.949 10.189) 10.578 3.129 ( 4.156 -0.316 -6.081) 7.372 3.242 ( -3.706 -2.848 -6.449) 7.964 3.507 ( 0.780 0.345 11.250) 11.283 3.621 ( -0.617 5.467 4.311) 6.989 4.220 ( -7.522 -9.520 -15.699) 19.841 4.648 ( -10.173 0.542 12.810) 16.367 5.122 ( -0.500 2.332 -19.826) 19.969 5.356 ( 9.885 2.173 -5.113) 11.339 5.776 ( 0.992 0.046 4.312) 4.425 6.031 ( -15.381 7.457 -9.005) 19.320 7.968 ( 4.324 0.257 0.196) 4.336 8.129 ( 0.684 2.321 0.102) 2.422 9.820 ( -1.662 0.045 1.766) 2.426 9.907 ( -2.961 0.892 -2.020) 3.694 10.573 ( -1.333 -0.439 12.905) 12.981 10.747 ( 0.079 -2.090 -9.895) 10.114 10.799 ( 2.189 -6.939 -0.333) 7.284 10.977 ( -1.136 -6.124 -0.141) 6.231 11.645 ( 6.155 4.833 0.702) 7.857 11.734 ( 3.654 3.522 0.796) 5.137 22.124 ( 1.064 -1.247 0.683) 1.776 22.210 ( -2.114 -0.216 -0.308) 2.147 22.547 ( 7.471 0.931 -0.666) 7.559 22.601 ( -0.020 0.488 -1.650) 1.721 22.933 ( -1.332 -9.104 -0.400) 9.209 23.478 ( -7.243 0.202 -0.203) 7.249 24.062 ( 5.787 3.009 1.795) 6.766 24.152 ( 0.909 2.314 -0.886) 2.639 ======================= Grid point 304 (130/216) ======================= q-point: ( 0.82 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( -8.931 1.007 -0.000) 8.987 1.134 ( 2.611 -5.961 -0.000) 6.508 1.265 ( 8.838 -2.889 0.000) 9.298 1.309 ( -1.438 -1.215 -0.000) 1.883 1.589 ( 6.737 4.763 0.000) 8.251 1.752 ( 4.875 -2.582 -0.000) 5.517 1.858 ( -0.871 -8.294 -0.000) 8.339 1.897 ( 1.267 1.600 0.000) 2.041 1.997 ( 3.651 -1.775 -0.000) 4.059 2.090 ( -5.936 5.829 0.000) 8.319 2.331 ( 4.045 5.267 0.000) 6.641 2.339 ( -3.267 3.243 0.000) 4.603 2.567 ( 5.764 5.054 0.000) 7.667 2.986 ( 9.427 2.645 0.000) 9.791 3.102 ( -4.794 -3.016 -0.000) 5.664 3.181 ( 6.344 -1.888 0.000) 6.619 3.540 ( 2.529 1.181 0.000) 2.791 3.697 ( -4.581 7.030 0.000) 8.391 4.282 ( -15.073 -8.777 -0.000) 17.442 4.902 ( -1.898 1.708 0.000) 2.553 5.032 ( -2.526 -1.125 -0.000) 2.766 5.231 ( -2.027 -0.712 -0.000) 2.148 5.743 ( 3.743 -0.847 0.000) 3.837 6.329 ( -16.758 7.021 -0.000) 18.169 7.902 ( 3.866 -0.290 0.000) 3.876 8.129 ( 1.591 2.090 0.000) 2.627 9.850 ( -1.505 -0.180 -0.000) 1.516 9.962 ( -3.223 1.698 0.000) 3.643 10.635 ( 3.518 -0.046 0.000) 3.518 10.688 ( -2.406 -2.567 -0.000) 3.518 10.730 ( -1.248 -5.259 -0.000) 5.405 10.944 ( -0.297 -3.874 -0.000) 3.885 11.574 ( 7.138 3.348 0.000) 7.884 11.687 ( 5.326 2.017 0.000) 5.695 22.096 ( 1.158 -1.344 -0.000) 1.774 22.260 ( -3.972 0.339 -0.000) 3.987 22.419 ( 8.225 0.784 0.000) 8.262 22.616 ( -1.583 1.550 0.000) 2.216 22.926 ( -5.498 -7.214 -0.000) 9.070 23.589 ( -4.045 4.373 0.000) 5.957 23.974 ( 8.148 1.118 0.000) 8.225 24.136 ( 0.878 -1.623 -0.000) 1.845 ======================= Grid point 310 (131/216) ======================= q-point: ( 0.27 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( -3.600 0.000 10.689) 11.279 0.918 ( 6.924 0.000 3.623) 7.815 1.417 ( -5.467 0.000 4.379) 7.005 1.437 ( 8.253 0.000 -0.784) 8.291 1.495 ( -4.008 0.000 10.282) 11.035 1.539 ( -6.061 -0.000 -1.976) 6.375 1.700 ( -1.169 -0.000 -1.561) 1.950 1.786 ( -5.494 0.000 2.713) 6.128 1.877 ( 2.776 0.000 5.397) 6.069 1.999 ( 7.153 0.000 4.543) 8.474 2.104 ( 6.965 -0.000 -3.741) 7.906 2.336 ( -3.295 0.000 8.189) 8.827 2.439 ( -1.170 -0.000 -2.875) 3.104 2.651 ( 3.296 -0.000 -4.308) 5.424 3.139 ( -6.810 -0.000 -0.001) 6.810 3.188 ( 8.653 0.000 11.306) 14.237 3.513 ( -0.410 -0.000 -1.281) 1.345 3.646 ( 5.543 -0.000 -4.013) 6.843 4.445 ( 3.731 0.000 2.889) 4.718 4.995 ( -6.294 -0.000 -7.085) 9.477 5.159 ( -3.646 -0.000 -8.963) 9.676 5.520 ( -2.459 -0.000 -0.161) 2.464 6.191 ( 4.778 0.000 -1.312) 4.955 6.608 ( 8.158 -0.000 -22.244) 23.693 7.850 ( -0.816 0.000 2.091) 2.245 8.056 ( -1.313 -0.000 -2.224) 2.583 9.868 ( 0.654 -0.000 -0.621) 0.902 10.016 ( 0.942 -0.000 -3.566) 3.688 10.235 ( 4.713 0.000 8.669) 9.867 10.741 ( -6.244 0.000 2.059) 6.575 11.037 ( -5.275 0.000 5.217) 7.419 11.168 ( -1.634 -0.000 -3.611) 3.963 11.354 ( 2.183 0.000 2.230) 3.121 11.376 ( -0.713 0.000 1.874) 2.005 22.123 ( 2.325 0.000 2.515) 3.425 22.151 ( -3.148 -0.000 0.932) 3.283 22.455 ( -5.609 -0.000 -5.341) 7.746 22.724 ( 3.727 -0.000 -10.193) 10.853 23.154 ( -1.069 0.000 6.894) 6.976 23.440 ( -3.904 -0.000 -2.380) 4.572 23.871 ( 0.687 0.000 4.645) 4.696 24.133 ( 2.116 0.000 1.702) 2.715 ======================= Grid point 314 (132/216) ======================= q-point: ( 0.64 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( -0.000 12.952 2.844) 13.260 0.809 ( -0.000 14.414 1.177) 14.462 1.285 ( -0.000 1.249 5.543) 5.682 1.366 ( -0.000 5.003 -5.451) 7.399 1.624 ( -0.000 0.845 4.851) 4.924 1.699 ( -0.000 1.202 -4.754) 4.904 1.902 ( -0.813 -1.828 0.034) 2.001 1.902 ( 0.813 -1.948 0.155) 2.116 2.081 ( -0.000 2.346 8.333) 8.657 2.163 ( -0.000 5.283 -1.670) 5.540 2.286 ( -0.000 1.655 -3.512) 3.883 2.286 ( -0.000 -3.685 -4.433) 5.764 2.919 ( 0.000 -1.013 29.900) 29.917 3.031 ( -0.000 -4.722 4.265) 6.363 3.086 ( -0.000 -8.464 -1.203) 8.549 3.325 ( -0.000 -3.020 -23.688) 23.879 3.468 ( -0.000 2.449 24.875) 24.995 3.554 ( -0.000 2.939 13.299) 13.619 4.363 ( -0.000 -7.201 -14.288) 16.000 4.384 ( -0.000 -7.015 -18.380) 19.673 5.102 ( -0.000 11.356 5.498) 12.617 5.303 ( -0.000 9.861 -20.353) 22.616 5.709 ( -0.000 1.340 3.171) 3.443 5.789 ( 0.000 1.870 -7.451) 7.682 8.052 ( -0.000 1.780 2.479) 3.051 8.087 ( -0.000 1.183 -2.319) 2.603 9.784 ( 0.000 0.321 3.709) 3.723 9.843 ( 0.000 0.429 -4.351) 4.372 10.559 ( 0.000 -0.354 15.541) 15.545 10.772 ( -0.000 -1.461 -13.722) 13.799 11.018 ( -0.000 -8.991 3.608) 9.688 11.053 ( -0.000 -10.164 -1.305) 10.247 11.671 ( -0.000 7.163 2.050) 7.451 11.692 ( -0.000 6.767 -0.794) 6.814 22.153 ( -0.000 -0.651 3.080) 3.148 22.198 ( -0.000 -1.112 -3.078) 3.273 22.618 ( -0.000 -0.253 0.874) 0.910 22.644 ( -0.000 -0.145 -2.559) 2.563 23.218 ( -0.000 -7.742 5.021) 9.228 23.295 ( 0.000 -8.536 -5.651) 10.237 24.069 ( -0.000 6.565 1.644) 6.768 24.088 ( -0.000 6.419 -0.971) 6.492 ======================= Grid point 315 (133/216) ======================= q-point: ( 0.73 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( 2.354 10.773 0.000) 11.028 1.105 ( -12.091 9.364 0.000) 15.293 1.285 ( 4.386 1.462 0.000) 4.623 1.362 ( 0.787 2.739 0.000) 2.849 1.641 ( -0.312 3.362 0.000) 3.377 1.778 ( -4.243 5.109 0.000) 6.641 1.855 ( -0.613 -7.287 -0.000) 7.313 1.908 ( -1.753 -2.637 -0.000) 3.166 2.125 ( 4.673 -2.550 -0.000) 5.324 2.155 ( 1.695 5.714 0.000) 5.960 2.251 ( 2.393 -2.283 -0.000) 3.307 2.275 ( -0.093 7.699 0.000) 7.700 2.858 ( 13.560 -7.199 -0.000) 15.352 3.036 ( -0.892 -3.274 -0.000) 3.393 3.089 ( -5.423 -3.656 -0.000) 6.541 3.195 ( -1.402 -2.362 -0.000) 2.747 3.585 ( 2.003 2.578 0.000) 3.264 3.625 ( 0.735 3.817 0.000) 3.887 4.161 ( -0.015 -9.986 -0.000) 9.986 4.462 ( -15.291 -2.930 -0.000) 15.569 5.091 ( 8.517 7.065 0.000) 11.066 5.399 ( -1.590 9.345 0.000) 9.479 5.738 ( -5.490 3.121 0.000) 6.315 5.797 ( -1.349 1.240 0.000) 1.832 8.031 ( 3.759 0.814 0.000) 3.846 8.109 ( -0.810 2.274 0.000) 2.414 9.811 ( -0.498 0.096 -0.000) 0.507 9.845 ( -2.458 0.753 -0.000) 2.571 10.658 ( -0.199 -1.266 -0.000) 1.282 10.668 ( -0.899 -1.527 -0.000) 1.772 10.912 ( 3.577 -8.123 -0.000) 8.875 11.011 ( -2.266 -8.385 -0.000) 8.686 11.688 ( 4.287 6.107 0.000) 7.461 11.739 ( 1.073 5.251 0.000) 5.360 22.155 ( 0.939 -1.239 -0.000) 1.555 22.184 ( -1.169 -0.559 -0.000) 1.296 22.606 ( 1.224 -0.364 0.000) 1.276 22.618 ( 2.414 0.545 0.000) 2.475 23.051 ( 6.275 -9.910 -0.000) 11.729 23.356 ( -9.487 -4.009 -0.000) 10.299 24.105 ( 2.734 4.934 0.000) 5.641 24.129 ( 0.481 5.407 0.000) 5.428 ======================= Grid point 322 (134/216) ======================= q-point: ( 0.27 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( -0.491 -1.823 4.899) 5.250 1.024 ( 2.014 -1.481 2.509) 3.542 1.298 ( -5.782 7.441 -0.761) 9.454 1.417 ( -5.868 -5.451 0.685) 8.038 1.488 ( -5.374 0.635 10.056) 11.419 1.568 ( 2.974 -0.592 -1.138) 3.239 1.627 ( -3.499 1.319 -2.449) 4.470 1.763 ( -1.305 -0.839 4.720) 4.968 1.967 ( 4.152 0.265 4.515) 6.140 2.086 ( 1.811 -0.233 -2.871) 3.403 2.217 ( 7.561 -1.041 -1.283) 7.739 2.377 ( 0.571 1.393 4.544) 4.787 2.411 ( 0.316 -2.566 0.333) 2.607 2.667 ( 3.667 1.541 -4.560) 6.051 2.951 ( -10.268 1.994 -4.491) 11.383 3.301 ( 0.277 -2.903 -3.016) 4.195 3.558 ( 3.347 0.177 2.491) 4.176 3.692 ( 4.009 0.216 -4.273) 5.863 4.487 ( -2.235 -0.245 1.981) 2.996 5.014 ( 7.085 1.186 11.969) 13.959 5.028 ( -2.467 -0.087 -10.982) 11.256 5.526 ( -1.154 0.419 9.041) 9.124 6.259 ( 5.573 2.205 -1.539) 6.188 6.608 ( 8.745 -2.960 -17.198) 19.520 7.859 ( -0.047 0.189 2.365) 2.373 8.027 ( -0.300 -0.271 -2.335) 2.370 9.869 ( 0.038 0.047 -0.318) 0.324 10.001 ( 0.200 -0.442 -3.596) 3.629 10.361 ( 2.928 -0.363 8.146) 8.664 10.646 ( -6.505 0.861 1.675) 6.772 10.990 ( -4.232 0.128 2.901) 5.132 11.125 ( 0.085 0.566 -3.910) 3.952 11.376 ( 1.177 1.053 0.354) 1.618 11.405 ( 0.587 -1.850 0.940) 2.157 22.115 ( -1.725 0.813 1.474) 2.410 22.197 ( 3.602 -1.263 2.907) 4.798 22.332 ( -4.885 0.709 -3.690) 6.163 22.715 ( 4.248 -1.221 -10.995) 11.850 23.173 ( -2.146 1.346 6.629) 7.096 23.380 ( -2.637 -1.773 -1.790) 3.647 23.910 ( 1.808 4.485 4.921) 6.899 24.176 ( 0.824 -2.997 0.177) 3.113 ======================= Grid point 323 (135/216) ======================= q-point: ( 0.36 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( 5.001 -0.000 5.132) 7.166 1.022 ( -7.344 0.000 9.115) 11.705 1.438 ( -3.410 -0.000 0.564) 3.457 1.445 ( 5.771 0.000 1.517) 5.967 1.525 ( -5.284 0.000 0.733) 5.335 1.655 ( -3.693 -0.000 4.078) 5.501 1.700 ( -6.047 0.000 7.030) 9.273 1.825 ( -2.832 -0.000 2.678) 3.898 1.947 ( 1.064 -0.000 3.066) 3.246 2.066 ( -0.921 0.000 4.165) 4.266 2.089 ( 7.153 -0.000 2.652) 7.629 2.362 ( 0.125 -0.000 -7.167) 7.168 2.473 ( -4.798 0.000 9.731) 10.849 2.560 ( 5.380 -0.000 -6.466) 8.412 3.078 ( -8.965 -0.000 -6.541) 11.097 3.279 ( -1.203 0.000 -0.264) 1.232 3.517 ( 3.433 0.000 1.238) 3.649 3.585 ( 5.542 -0.000 -4.441) 7.102 4.525 ( 1.849 -0.000 8.164) 8.371 4.986 ( -3.244 -0.000 -13.180) 13.574 5.011 ( 4.587 0.000 9.779) 10.801 5.574 ( 2.019 -0.000 5.140) 5.522 6.131 ( 7.894 -0.000 -6.504) 10.228 6.255 ( 13.174 0.000 -25.230) 28.462 7.887 ( -0.922 0.000 2.872) 3.016 8.020 ( -1.296 0.000 -2.748) 3.038 9.861 ( 0.899 0.000 -0.003) 0.899 9.962 ( 0.936 -0.000 -3.798) 3.912 10.395 ( 2.190 0.000 12.661) 12.849 10.770 ( -6.428 -0.000 0.854) 6.485 11.085 ( -5.749 0.000 1.339) 5.902 11.098 ( -0.959 -0.000 -4.921) 5.013 11.389 ( 0.458 -0.000 2.077) 2.127 11.398 ( -0.916 0.000 1.167) 1.483 22.164 ( 2.298 -0.000 2.905) 3.704 22.168 ( -2.552 0.000 1.330) 2.878 22.396 ( -5.546 -0.000 -2.634) 6.140 22.583 ( 1.801 -0.000 -9.149) 9.324 23.243 ( -0.785 -0.000 5.398) 5.454 23.404 ( -2.983 -0.000 -2.598) 3.956 23.945 ( 1.118 0.000 5.370) 5.485 24.133 ( 2.234 -0.000 -1.658) 2.782 ======================= Grid point 334 (136/216) ======================= q-point: ( 0.27 -0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( 1.179 -1.521 -1.652) 2.536 0.988 ( -7.225 -1.162 -2.437) 7.713 1.219 ( 2.161 4.366 2.371) 5.418 1.408 ( -2.345 -4.787 1.811) 5.630 1.467 ( -4.519 1.654 7.789) 9.156 1.508 ( -2.821 2.454 -1.580) 4.059 1.630 ( 0.448 -3.107 -0.092) 3.141 1.805 ( 1.570 -0.558 3.279) 3.678 2.022 ( -1.811 2.193 -6.705) 7.284 2.046 ( 2.648 2.768 0.713) 3.896 2.305 ( 2.736 -0.713 -1.014) 3.004 2.375 ( 0.249 -1.444 -1.288) 1.951 2.514 ( 3.685 -2.366 6.238) 7.622 2.665 ( 1.043 2.954 -1.232) 3.366 2.755 ( -8.513 2.040 -3.697) 9.503 3.239 ( -2.647 -2.243 -12.127) 12.614 3.625 ( 3.280 0.631 2.462) 4.150 3.715 ( 2.474 0.308 -2.346) 3.423 4.447 ( -3.925 0.570 3.796) 5.490 4.915 ( -1.023 -2.390 -12.102) 12.378 5.309 ( 12.498 1.801 20.923) 24.438 5.597 ( 0.676 0.516 12.271) 12.301 6.297 ( 6.694 6.649 -4.603) 10.498 6.694 ( 8.034 -6.761 -7.463) 12.882 7.878 ( 0.891 1.003 2.042) 2.443 8.020 ( 0.736 -0.912 -1.867) 2.204 9.865 ( -0.547 -0.060 0.344) 0.649 9.979 ( -0.566 -1.219 -3.152) 3.427 10.411 ( -2.837 2.971 3.845) 5.627 10.583 ( -3.119 -3.113 3.769) 5.799 10.949 ( -2.184 1.133 1.921) 3.122 11.107 ( 1.704 0.166 -4.076) 4.421 11.393 ( 2.087 0.708 -0.687) 2.308 11.423 ( 0.553 -0.404 -0.839) 1.083 22.103 ( -0.646 0.594 1.660) 1.878 22.219 ( -2.044 0.936 -3.760) 4.381 22.332 ( 4.911 -1.876 6.014) 7.988 22.722 ( 4.724 -1.987 -10.356) 11.555 23.159 ( -3.556 2.200 6.185) 7.466 23.357 ( -1.379 -3.475 -1.718) 4.114 23.922 ( 2.085 7.673 3.414) 8.653 24.207 ( -0.499 -3.856 -0.516) 3.922 ======================= Grid point 335 (137/216) ======================= q-point: ( 0.36 0.64 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( -6.289 -1.559 6.055) 8.869 1.055 ( -1.360 -1.361 1.266) 2.303 1.287 ( -5.447 8.080 -0.479) 9.757 1.420 ( -5.069 -7.006 -0.061) 8.647 1.548 ( -1.200 2.698 -1.043) 3.132 1.604 ( -0.913 -1.205 -0.843) 1.730 1.665 ( -7.516 0.260 13.006) 15.024 1.847 ( -0.564 0.605 6.578) 6.630 1.994 ( 1.966 2.041 -2.971) 4.105 2.022 ( -0.422 -1.127 -4.869) 5.015 2.226 ( 5.691 -1.254 2.530) 6.353 2.333 ( 1.064 -1.242 -4.184) 4.493 2.508 ( 1.478 -0.137 5.955) 6.137 2.609 ( 4.546 0.050 -2.894) 5.390 2.903 ( -8.557 1.514 -0.000) 8.690 3.184 ( -4.255 -1.778 -11.988) 12.845 3.587 ( 3.845 0.481 1.381) 4.113 3.639 ( 4.325 -0.606 -2.622) 5.094 4.552 ( -3.790 0.076 6.704) 7.701 4.843 ( -2.692 -0.264 -12.409) 12.701 5.282 ( 12.061 1.284 22.060) 25.175 5.649 ( 2.369 0.322 5.435) 5.937 6.169 ( 10.312 9.857 -10.689) 17.826 6.376 ( 12.929 -10.586 -12.259) 20.724 7.896 ( -0.062 0.931 2.612) 2.773 7.991 ( -0.228 -1.025 -2.473) 2.687 9.872 ( 0.207 0.038 0.912) 0.936 9.948 ( 0.293 -0.808 -3.518) 3.621 10.497 ( -0.296 0.720 9.633) 9.665 10.671 ( -6.027 -0.255 0.893) 6.098 11.010 ( -3.601 0.375 -0.027) 3.621 11.054 ( 0.472 1.009 -4.752) 4.881 11.380 ( 0.486 1.788 0.209) 1.865 11.418 ( -0.906 -2.541 0.740) 2.798 22.141 ( -1.566 0.974 2.029) 2.742 22.215 ( 0.392 -0.704 -1.238) 1.477 22.327 ( -0.764 0.063 3.784) 3.861 22.561 ( 3.480 -1.559 -10.060) 10.758 23.253 ( -1.668 1.658 4.345) 4.940 23.356 ( -2.273 -2.025 -1.616) 3.447 23.981 ( 1.252 5.542 4.659) 7.348 24.160 ( 1.147 -3.804 -2.122) 4.504 ======================= Grid point 336 (138/216) ======================= q-point: ( 0.45 0.64 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( 2.373 -0.000 4.312) 4.922 1.088 ( -2.327 0.000 0.322) 2.349 1.446 ( -3.348 -0.000 0.567) 3.395 1.454 ( -1.704 0.000 -0.348) 1.739 1.575 ( -3.602 0.000 5.122) 6.262 1.637 ( -4.564 -0.000 -3.107) 5.521 1.840 ( 0.829 -0.000 6.665) 6.716 1.860 ( 1.903 -0.000 1.754) 2.588 1.976 ( -5.891 0.000 3.660) 6.935 2.069 ( -9.348 0.000 -5.340) 10.766 2.173 ( 4.802 -0.000 7.322) 8.757 2.267 ( 2.196 -0.000 -5.554) 5.972 2.511 ( 3.867 -0.000 1.154) 4.036 2.555 ( -4.515 0.000 -0.573) 4.551 3.041 ( -6.395 -0.000 4.367) 7.744 3.181 ( -6.406 0.000 -11.461) 13.130 3.532 ( 4.161 0.000 0.667) 4.214 3.542 ( 5.221 -0.000 -1.236) 5.365 4.657 ( -1.759 -0.000 9.604) 9.764 4.806 ( -2.734 0.000 -11.342) 11.666 5.261 ( 11.900 0.000 22.776) 25.697 5.560 ( 7.692 -0.000 -12.517) 14.691 5.980 ( 13.630 -0.000 -7.064) 15.352 6.022 ( 9.952 0.000 -7.676) 12.568 7.931 ( -1.073 0.000 3.203) 3.377 7.977 ( -1.208 -0.000 -3.118) 3.344 9.873 ( 0.922 0.000 1.791) 2.015 9.910 ( 0.912 -0.000 -3.206) 3.333 10.581 ( -0.005 0.000 12.364) 12.364 10.729 ( -3.127 -0.000 -7.143) 7.797 11.060 ( -3.575 0.000 0.131) 3.578 11.080 ( -5.496 -0.000 -1.601) 5.725 11.409 ( -0.442 0.000 0.693) 0.822 11.410 ( -0.856 -0.000 0.469) 0.976 22.187 ( -1.341 -0.000 1.211) 1.807 22.194 ( 0.965 0.000 0.747) 1.221 22.392 ( -3.795 -0.000 2.505) 4.547 22.464 ( -0.637 -0.000 -7.010) 7.038 23.311 ( -1.077 -0.000 4.097) 4.236 23.363 ( -1.899 0.000 -3.168) 3.694 24.022 ( 1.644 0.000 5.216) 5.469 24.090 ( 2.077 -0.000 -4.004) 4.511 ======================= Grid point 346 (139/216) ======================= q-point: ( 0.27 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( -4.636 -0.540 -3.430) 5.793 0.922 ( -0.169 -0.523 -4.864) 4.895 1.272 ( 2.624 2.339 5.225) 6.297 1.361 ( -4.034 3.713 -1.365) 5.650 1.460 ( -4.889 2.014 6.355) 8.267 1.464 ( 1.334 -0.691 0.593) 1.616 1.680 ( 1.616 -5.089 0.612) 5.375 1.828 ( -1.252 -3.439 -7.880) 8.688 1.935 ( -0.302 4.073 2.082) 4.584 2.045 ( 1.490 3.850 -2.236) 4.695 2.275 ( -4.336 -0.949 -3.707) 5.783 2.384 ( -1.439 -1.349 -0.389) 2.011 2.532 ( -4.436 5.024 -3.144) 7.403 2.586 ( -3.709 4.452 -3.549) 6.796 2.728 ( 3.044 -1.721 10.707) 11.263 3.119 ( -1.849 -1.339 -12.399) 12.608 3.696 ( 3.445 0.242 2.845) 4.474 3.736 ( 2.269 0.796 -0.105) 2.407 4.414 ( -1.841 2.882 3.066) 4.593 4.879 ( 1.232 -6.888 -7.970) 10.606 5.624 ( 10.235 1.155 17.355) 20.181 5.712 ( 3.324 -0.365 10.741) 11.249 6.312 ( 8.672 9.886 -5.382) 14.209 6.843 ( 6.123 -7.134 0.526) 9.416 7.896 ( 1.500 2.104 0.929) 2.746 8.038 ( 1.455 -1.624 -0.870) 2.347 9.853 ( -1.406 0.278 0.396) 1.487 9.961 ( -1.081 -2.316 -1.972) 3.228 10.301 ( -7.045 5.168 0.451) 8.749 10.625 ( -1.830 -7.250 3.113) 8.100 10.934 ( 0.021 2.793 2.502) 3.750 11.119 ( 3.037 -0.612 -3.345) 4.559 11.410 ( 0.902 1.524 -1.088) 2.079 11.434 ( 3.715 0.873 -2.092) 4.352 22.102 ( -0.506 0.798 1.105) 1.454 22.170 ( -0.041 0.355 -2.062) 2.093 22.501 ( 7.483 -2.050 7.487) 10.782 22.748 ( 5.147 -2.052 -8.604) 10.234 23.117 ( -4.314 2.714 5.236) 7.307 23.364 ( -0.262 -4.794 -1.966) 5.188 23.903 ( 1.649 8.176 1.123) 8.416 24.210 ( -1.893 -2.460 -0.621) 3.165 ======================= Grid point 347 (140/216) ======================= q-point: ( 0.36 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( -5.674 0.235 -0.484) 5.700 0.957 ( -7.379 -1.961 -1.426) 7.767 1.260 ( 4.212 2.663 2.302) 5.490 1.423 ( -2.590 -4.012 0.159) 4.778 1.464 ( -1.099 4.965 -1.240) 5.234 1.602 ( -3.739 -1.456 3.435) 5.282 1.660 ( -2.990 -2.411 7.913) 8.796 1.797 ( -4.829 -0.327 -6.667) 8.239 1.971 ( 2.054 2.164 1.782) 3.475 2.028 ( 1.849 3.328 -3.142) 4.936 2.291 ( -0.387 -1.068 -0.822) 1.402 2.357 ( 1.343 -3.460 -0.715) 3.780 2.567 ( 2.562 2.700 1.404) 3.978 2.634 ( -0.454 1.303 -2.647) 2.985 2.810 ( -4.161 1.527 9.811) 10.766 3.043 ( -3.179 -2.676 -13.134) 13.775 3.651 ( 4.194 1.135 1.065) 4.473 3.692 ( 3.028 -0.891 -0.869) 3.274 4.519 ( -4.342 3.190 4.845) 7.246 4.759 ( -0.109 -5.115 -7.896) 9.409 5.597 ( 9.214 0.948 16.418) 18.851 5.720 ( 3.436 -0.092 2.753) 4.403 6.181 ( 12.279 13.069 -8.269) 19.747 6.613 ( 11.380 -11.576 -3.128) 16.531 7.903 ( 0.833 2.301 1.170) 2.713 7.997 ( 0.815 -2.181 -1.038) 2.549 9.876 ( -0.562 0.372 0.949) 1.163 9.938 ( -0.250 -2.075 -2.134) 2.987 10.458 ( -6.178 4.923 1.981) 8.145 10.642 ( -3.447 -5.644 3.063) 7.288 10.974 ( -0.682 1.988 1.864) 2.809 11.036 ( 2.951 0.869 -4.654) 5.579 11.385 ( 1.719 0.960 -0.339) 1.998 11.417 ( -1.057 -0.821 -0.081) 1.341 22.131 ( -0.864 0.721 2.287) 2.549 22.170 ( -1.655 0.769 -2.983) 3.497 22.435 ( 5.819 -1.748 7.978) 10.028 22.574 ( 5.104 -2.357 -9.618) 11.141 23.224 ( -2.943 2.434 2.548) 4.591 23.339 ( -1.797 -3.799 -0.777) 4.273 23.962 ( 0.900 8.426 1.700) 8.643 24.194 ( -0.020 -4.165 -0.787) 4.239 ======================= Grid point 348 (141/216) ======================= q-point: (-0.55 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( -5.621 -1.299 -0.000) 5.769 1.046 ( -6.654 -1.309 -0.000) 6.782 1.284 ( -3.896 7.947 0.000) 8.851 1.418 ( -4.846 -7.797 -0.000) 9.180 1.540 ( -3.221 4.391 0.000) 5.446 1.598 ( 0.233 -2.264 -0.000) 2.276 1.828 ( -7.754 3.425 -0.000) 8.477 1.876 ( -9.619 -2.252 -0.000) 9.879 1.933 ( 4.830 3.000 0.000) 5.685 1.978 ( 4.248 -1.883 0.000) 4.646 2.265 ( 2.466 -0.058 0.000) 2.467 2.289 ( 2.945 -2.784 -0.000) 4.052 2.539 ( 4.162 3.389 0.000) 5.367 2.593 ( 2.365 -3.269 -0.000) 4.034 2.972 ( -6.701 2.943 -0.000) 7.319 3.022 ( -5.435 -3.175 -0.000) 6.295 3.598 ( 4.295 1.210 0.000) 4.462 3.620 ( 4.173 -1.611 0.000) 4.473 4.654 ( -5.271 2.785 0.000) 5.962 4.700 ( -1.647 -2.859 -0.000) 3.299 5.573 ( 8.445 1.758 0.000) 8.626 5.594 ( 8.626 -0.924 0.000) 8.675 6.058 ( 12.357 13.994 0.000) 18.669 6.288 ( 13.664 -13.953 -0.000) 19.529 7.923 ( -0.120 2.609 0.000) 2.612 7.966 ( -0.138 -2.706 -0.000) 2.709 9.890 ( 0.192 0.865 0.000) 0.886 9.911 ( 0.355 -1.757 -0.000) 1.792 10.593 ( -4.357 4.181 0.000) 6.038 10.661 ( -2.457 -4.179 -0.000) 4.848 10.999 ( -0.184 2.349 0.000) 2.356 11.022 ( -3.063 -0.343 -0.000) 3.082 11.382 ( 0.232 2.125 0.000) 2.138 11.424 ( -1.352 -2.804 -0.000) 3.113 22.166 ( -0.769 1.868 0.000) 2.020 22.192 ( -2.301 -1.239 -0.000) 2.613 22.400 ( 3.173 1.906 0.000) 3.701 22.447 ( 1.462 -3.853 -0.000) 4.121 23.290 ( -1.609 2.886 0.000) 3.305 23.338 ( -1.919 -3.219 -0.000) 3.748 24.023 ( 0.870 7.721 0.000) 7.770 24.136 ( 1.441 -5.908 -0.000) 6.081 ======================= Grid point 358 (142/216) ======================= q-point: ( 0.27 -0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( -5.810 0.622 0.707) 5.886 0.874 ( -1.201 1.120 -3.912) 4.243 1.180 ( -7.228 6.559 -3.548) 10.385 1.374 ( 1.697 1.078 2.468) 3.183 1.395 ( -3.522 2.672 6.006) 7.458 1.481 ( -0.071 0.919 -2.327) 2.503 1.721 ( -2.665 -1.300 -4.611) 5.483 1.780 ( 0.971 -6.778 0.667) 6.879 1.896 ( -2.589 8.771 -2.218) 9.410 2.023 ( -0.396 0.782 -1.382) 1.636 2.216 ( -1.894 -7.059 -1.179) 7.403 2.280 ( -8.570 11.752 -2.234) 14.716 2.340 ( -5.630 1.846 -2.504) 6.432 2.538 ( -0.459 1.887 0.761) 2.086 2.860 ( 4.266 1.280 7.584) 8.795 3.041 ( 0.028 -0.438 -7.636) 7.648 3.712 ( -2.089 0.800 1.389) 2.633 3.826 ( 7.561 -0.056 1.301) 7.672 4.384 ( -0.095 3.573 0.487) 3.608 4.945 ( 2.970 -9.357 -2.333) 10.091 5.830 ( 3.185 -0.275 8.953) 9.507 5.866 ( 8.159 -1.488 5.057) 9.714 6.351 ( 10.772 11.574 -1.833) 15.917 6.988 ( 3.664 -5.088 3.142) 7.013 7.903 ( 1.515 2.719 -0.102) 3.114 8.075 ( 1.732 -1.847 -0.151) 2.536 9.818 ( -2.343 1.241 -0.299) 2.668 9.956 ( -1.327 -3.146 -0.462) 3.446 10.137 ( -8.052 5.001 -0.306) 9.484 10.676 ( -1.808 -9.815 0.565) 9.997 10.927 ( 0.135 3.727 1.800) 4.141 11.169 ( 4.016 -1.455 -0.995) 4.386 11.396 ( 1.847 3.917 -1.579) 4.609 11.487 ( 5.168 1.413 -1.265) 5.505 22.084 ( -0.711 1.433 -0.019) 1.600 22.185 ( 2.126 -0.865 -0.260) 2.310 22.683 ( 6.467 -0.958 6.044) 8.903 22.795 ( 5.351 -1.722 -5.227) 7.676 23.061 ( -3.099 3.304 3.207) 5.550 23.402 ( 1.391 -5.882 -1.562) 6.242 23.864 ( 1.084 6.965 -0.267) 7.054 24.174 ( -3.666 -0.546 -0.625) 3.759 ======================= Grid point 359 (143/216) ======================= q-point: ( 0.36 -0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( -2.314 -0.321 -0.000) 2.336 0.885 ( -3.656 -1.898 -0.000) 4.119 1.327 ( -4.272 8.294 0.000) 9.330 1.333 ( 4.501 1.107 0.000) 4.635 1.465 ( 0.153 -2.045 -0.000) 2.050 1.536 ( -6.402 2.414 -0.000) 6.842 1.714 ( -0.768 -6.257 -0.000) 6.304 1.717 ( -0.919 -3.441 -0.000) 3.562 1.967 ( -0.206 5.883 0.000) 5.887 2.018 ( 1.817 1.682 0.000) 2.476 2.241 ( -5.283 -1.657 -0.000) 5.536 2.381 ( -1.508 -1.900 -0.000) 2.425 2.502 ( -8.048 8.264 0.000) 11.535 2.568 ( 0.075 3.091 0.000) 3.092 2.853 ( 2.319 0.797 0.000) 2.452 2.983 ( -0.427 -3.630 -0.000) 3.655 3.725 ( 5.925 0.992 0.000) 6.008 3.727 ( 0.905 -0.182 0.000) 0.923 4.442 ( -2.567 4.627 0.000) 5.291 4.813 ( 2.342 -9.013 -0.000) 9.312 5.762 ( 6.612 0.272 0.000) 6.617 5.808 ( 3.671 -1.706 0.000) 4.048 6.246 ( 13.422 13.912 0.000) 19.331 6.846 ( 8.077 -8.865 -0.000) 11.993 7.903 ( 1.309 2.750 0.000) 3.046 8.031 ( 1.507 -2.223 -0.000) 2.686 9.857 ( -1.582 0.806 0.000) 1.776 9.945 ( -0.735 -2.992 -0.000) 3.081 10.306 ( -7.775 5.431 0.000) 9.484 10.651 ( -3.548 -8.041 -0.000) 8.789 10.960 ( 0.410 3.645 0.000) 3.668 11.081 ( 4.897 -0.167 0.000) 4.900 11.402 ( -0.344 1.258 0.000) 1.304 11.419 ( 3.712 0.858 0.000) 3.810 22.113 ( -1.509 1.200 0.000) 1.928 22.152 ( 1.193 0.009 0.000) 1.193 22.619 ( 5.176 -2.252 0.000) 5.644 22.621 ( 8.632 -1.892 0.000) 8.837 23.157 ( -3.937 2.794 0.000) 4.828 23.350 ( -0.908 -5.114 -0.000) 5.194 23.912 ( 0.886 8.318 0.000) 8.365 24.205 ( -1.742 -2.238 -0.000) 2.836 ======================= Grid point 369 (144/216) ======================= q-point: ( 0.27 -0.09 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.636 ( -12.238 2.556 -0.000) 12.503 0.801 ( -4.371 8.415 0.000) 9.483 0.979 ( -10.864 -1.902 -0.000) 11.029 1.292 ( -3.767 5.066 0.000) 6.313 1.354 ( -7.849 5.126 0.000) 9.374 1.495 ( 5.898 -0.514 0.000) 5.920 1.669 ( -8.708 15.955 0.000) 18.177 1.711 ( 1.137 -1.286 -0.000) 1.717 1.881 ( 2.465 -7.227 -0.000) 7.636 1.990 ( -1.782 0.876 0.000) 1.986 2.047 ( -4.995 12.938 0.000) 13.869 2.222 ( -6.450 1.690 -0.000) 6.668 2.293 ( 0.279 -10.662 -0.000) 10.666 2.531 ( 0.268 0.166 0.000) 0.316 2.958 ( 8.359 5.751 0.000) 10.147 3.006 ( -0.584 0.717 0.000) 0.925 3.649 ( -5.561 1.208 -0.000) 5.691 3.957 ( 7.151 -0.776 0.000) 7.193 4.367 ( 0.909 2.646 0.000) 2.798 5.068 ( 3.445 -9.016 -0.000) 9.651 5.886 ( 0.641 0.643 0.000) 0.908 6.031 ( 7.771 -2.537 0.000) 8.174 6.425 ( 9.614 10.719 0.000) 14.398 7.074 ( 1.364 -2.725 -0.000) 3.047 7.903 ( 1.464 2.697 0.000) 3.068 8.116 ( 1.556 -1.762 -0.000) 2.351 9.760 ( -2.384 2.832 0.000) 3.702 9.960 ( -1.349 -3.362 -0.000) 3.622 9.971 ( -7.997 3.600 -0.000) 8.770 10.744 ( -0.671 -11.516 -0.000) 11.535 10.903 ( -0.218 3.466 0.000) 3.473 11.239 ( 2.429 -2.885 -0.000) 3.771 11.398 ( 5.096 6.455 0.000) 8.224 11.547 ( 4.698 2.441 0.000) 5.294 22.063 ( -0.357 1.611 0.000) 1.650 22.234 ( 2.621 -1.700 -0.000) 3.124 22.781 ( 3.654 0.432 0.000) 3.680 22.850 ( 0.661 -0.805 -0.000) 1.041 23.034 ( 2.453 3.691 0.000) 4.432 23.489 ( 4.261 -5.932 -0.000) 7.303 23.828 ( 0.828 5.073 0.000) 5.140 24.096 ( -5.723 0.513 -0.000) 5.746 ======================= Grid point 380 (145/216) ======================= q-point: ( 0.27 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.286 ( -0.000 5.795 -0.000) 5.795 0.412 ( -0.000 10.040 -0.000) 10.040 0.846 ( -0.000 0.584 -0.000) 0.584 1.206 ( -0.000 7.365 -0.000) 7.365 1.234 ( -0.000 6.956 -0.000) 6.956 1.515 ( -0.000 26.595 -0.000) 26.595 1.627 ( -0.000 2.213 -0.000) 2.213 1.808 ( 0.000 -1.868 0.000) 1.868 1.895 ( 0.000 -14.612 0.000) 14.612 1.912 ( -0.000 3.716 -0.000) 3.716 2.025 ( 0.000 -6.183 0.000) 6.183 2.036 ( -0.000 12.386 -0.000) 12.386 2.283 ( 0.000 -4.738 0.000) 4.738 2.539 ( 0.000 -1.824 0.000) 1.824 2.996 ( -0.000 1.921 -0.000) 1.921 3.254 ( 0.000 -5.032 0.000) 5.032 3.431 ( -0.000 12.265 -0.000) 12.265 4.077 ( 0.000 -1.986 0.000) 1.986 4.392 ( -0.000 3.183 -0.000) 3.183 5.138 ( 0.000 -9.766 0.000) 9.766 5.897 ( -0.000 3.062 -0.000) 3.062 6.170 ( 0.000 -2.950 0.000) 2.950 6.585 ( -0.000 9.451 -0.000) 9.451 7.089 ( 0.000 -1.618 0.000) 1.618 7.937 ( -0.000 2.381 -0.000) 2.381 8.143 ( 0.000 -1.951 0.000) 1.951 9.759 ( -0.000 0.368 -0.000) 0.368 9.777 ( -0.000 8.659 -0.000) 8.659 9.934 ( 0.000 -3.418 0.000) 3.418 10.734 ( 0.000 -12.925 0.000) 12.925 10.897 ( -0.000 3.251 -0.000) 3.251 11.256 ( 0.000 -4.053 0.000) 4.053 11.542 ( -0.000 2.543 -0.000) 2.543 11.631 ( -0.000 2.754 -0.000) 2.754 22.059 ( -0.000 1.915 -0.000) 1.915 22.282 ( 0.000 -2.755 0.000) 2.755 22.821 ( -0.000 0.807 -0.000) 0.807 22.848 ( -0.000 0.303 -0.000) 0.303 23.123 ( -0.000 4.618 -0.000) 4.618 23.669 ( 0.000 -6.600 0.000) 6.600 23.835 ( -0.000 2.734 -0.000) 2.734 23.902 ( -0.000 1.594 -0.000) 1.594 ======================= Grid point 381 (146/216) ======================= q-point: ( 0.36 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.465 ( -11.011 4.867 2.872) 12.377 0.726 ( -17.777 8.531 9.343) 21.820 0.876 ( -0.565 -0.273 5.642) 5.676 1.291 ( -1.511 7.410 -2.804) 8.066 1.321 ( -3.868 7.099 3.426) 8.780 1.586 ( 5.352 -0.242 0.265) 5.364 1.737 ( 2.505 -2.083 0.558) 3.305 1.758 ( -1.003 16.143 4.482) 16.783 1.802 ( -1.696 -10.526 1.457) 10.760 1.970 ( -1.791 -1.823 -0.892) 2.707 2.024 ( -6.907 1.758 2.663) 7.608 2.162 ( -3.458 7.465 -1.418) 8.348 2.259 ( 1.441 -0.419 2.415) 2.844 2.526 ( -0.413 -1.253 0.131) 1.326 2.994 ( 1.196 0.688 -3.468) 3.732 3.132 ( 6.835 -1.043 0.911) 6.973 3.580 ( -5.342 7.129 -1.709) 9.071 4.021 ( 3.525 -2.892 -2.014) 4.985 4.419 ( 1.263 4.707 1.317) 5.048 5.031 ( 1.879 -10.213 -1.382) 10.476 5.904 ( 1.508 2.354 -2.872) 4.008 6.091 ( 4.480 -2.957 -4.581) 7.057 6.608 ( 4.537 9.756 -4.212) 11.555 7.042 ( 0.382 -2.541 -7.049) 7.503 7.951 ( 1.206 2.742 1.116) 3.197 8.120 ( 0.868 -2.053 0.202) 2.238 9.761 ( -0.533 1.693 0.006) 1.775 9.909 ( -4.946 5.961 1.591) 7.908 9.914 ( -1.299 -1.675 0.371) 2.152 10.638 ( -0.558 -12.600 1.101) 12.660 10.922 ( -0.227 3.722 -1.313) 3.953 11.215 ( 0.045 -4.333 -1.561) 4.606 11.534 ( 4.219 3.724 2.182) 6.035 11.631 ( 2.856 1.618 1.502) 3.610 22.076 ( 0.000 2.062 0.101) 2.064 22.247 ( 1.313 -2.659 -0.277) 2.979 22.830 ( 1.957 0.536 -1.179) 2.346 22.834 ( -1.092 0.542 -1.102) 1.643 23.115 ( 4.047 4.491 -3.703) 7.089 23.532 ( 5.918 -5.934 -1.307) 8.482 23.871 ( -0.114 3.303 2.226) 3.985 24.001 ( -6.565 0.038 3.163) 7.287 ======================= Grid point 382 (147/216) ======================= q-point: ( 0.45 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.689 ( -8.862 3.600 3.391) 10.148 0.923 ( 0.319 3.242 5.856) 6.701 1.110 ( -12.539 4.400 9.256) 16.194 1.353 ( -1.505 5.574 -3.691) 6.853 1.375 ( 1.953 0.405 -4.670) 5.078 1.548 ( 2.179 2.564 3.933) 5.176 1.712 ( -0.909 -5.195 2.147) 5.694 1.715 ( -1.244 -5.866 2.372) 6.448 1.966 ( -2.443 10.196 5.671) 11.920 2.011 ( -2.924 -1.247 3.614) 4.813 2.110 ( -3.373 -6.897 -0.352) 7.685 2.294 ( -1.810 1.911 3.497) 4.377 2.302 ( -6.208 11.354 4.662) 13.754 2.542 ( -0.848 1.631 0.784) 1.998 2.884 ( 5.882 -0.397 -8.632) 10.453 3.102 ( 0.538 -0.594 6.119) 6.172 3.670 ( -2.925 4.256 -3.799) 6.411 3.901 ( 5.299 -2.920 -3.841) 7.166 4.440 ( 2.451 5.375 0.582) 5.936 4.921 ( 1.209 -9.424 1.655) 9.644 5.824 ( 4.644 0.945 -9.881) 10.959 5.929 ( 7.282 -1.964 -8.160) 11.112 6.555 ( 6.213 9.360 -6.850) 13.158 6.946 ( 0.795 -3.657 -8.983) 9.731 7.956 ( 2.027 2.652 0.725) 3.416 8.089 ( 1.432 -1.811 0.758) 2.430 9.793 ( -1.967 0.985 -0.379) 2.232 9.910 ( -1.827 -3.000 0.559) 3.557 10.082 ( -6.013 7.712 2.724) 10.151 10.567 ( -1.446 -11.194 1.415) 11.376 10.941 ( 0.028 3.761 -2.782) 4.678 11.166 ( 0.081 -3.966 -1.896) 4.397 11.513 ( 4.901 3.819 3.721) 7.242 11.593 ( 4.904 0.751 2.826) 5.710 22.093 ( -0.007 1.881 0.062) 1.882 22.202 ( 1.453 -2.081 -0.139) 2.542 22.755 ( 6.528 0.649 -3.986) 7.677 22.843 ( -0.269 -0.585 -0.188) 0.671 23.042 ( 1.990 2.888 -6.940) 7.776 23.421 ( 3.569 -4.593 3.218) 6.648 23.924 ( -0.483 4.739 1.792) 5.090 24.106 ( -4.423 -1.341 2.302) 5.163 ======================= Grid point 383 (148/216) ======================= q-point: ( 0.55 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( -3.337 1.033 5.229) 6.288 0.995 ( 0.619 2.151 8.880) 9.158 1.259 ( 2.296 -0.562 -7.899) 8.245 1.316 ( -5.290 1.561 -0.292) 5.523 1.406 ( -1.789 4.325 -2.394) 5.257 1.535 ( 4.891 3.437 1.464) 6.154 1.650 ( -0.418 -6.477 1.018) 6.570 1.819 ( -3.741 -3.063 9.059) 10.268 1.966 ( 3.015 0.534 -1.810) 3.557 2.107 ( -0.711 4.831 3.617) 6.077 2.205 ( -7.964 -0.919 6.461) 10.296 2.344 ( -2.231 -1.901 2.271) 3.708 2.547 ( -5.874 6.353 8.537) 12.155 2.583 ( -1.247 3.450 0.771) 3.749 2.712 ( 5.638 -1.826 -9.123) 10.879 3.166 ( -1.953 -0.825 9.665) 9.894 3.693 ( -0.493 1.698 -4.505) 4.840 3.778 ( 3.286 -1.121 -3.862) 5.193 4.427 ( 2.813 3.355 -2.171) 4.887 4.887 ( -1.059 -5.807 6.960) 9.126 5.649 ( 6.351 1.341 -15.497) 16.802 5.707 ( 8.997 -1.545 -12.888) 15.794 6.476 ( 4.700 6.510 -8.768) 11.890 6.846 ( 1.614 -3.457 -4.268) 5.724 7.935 ( 2.570 1.479 -1.077) 3.155 8.062 ( 1.599 -0.950 1.875) 2.641 9.825 ( -1.870 0.243 -0.710) 2.015 9.933 ( -2.293 -1.801 1.778) 3.415 10.254 ( -5.477 7.014 2.195) 9.165 10.520 ( -1.805 -8.926 0.570) 9.125 10.936 ( 0.584 2.439 -4.207) 4.898 11.132 ( -0.440 -2.351 -0.841) 2.535 11.490 ( 4.547 2.252 3.376) 6.094 11.537 ( 5.467 0.440 3.839) 6.694 22.102 ( 0.350 1.065 -0.626) 1.284 22.178 ( -0.092 -0.922 1.096) 1.435 22.580 ( 9.746 -0.383 -6.039) 11.472 22.835 ( 1.263 -1.140 2.789) 3.267 23.027 ( -3.518 2.188 -7.718) 8.760 23.375 ( 2.649 -3.116 5.342) 6.728 23.979 ( 0.539 6.484 0.333) 6.515 24.150 ( -2.502 -3.540 0.508) 4.364 ======================= Grid point 384 (149/216) ======================= q-point: ( 0.64 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( -3.142 -0.456 3.426) 4.671 1.027 ( 5.466 0.057 7.510) 9.289 1.197 ( -2.578 0.229 -4.794) 5.448 1.356 ( -2.485 0.514 -6.409) 6.893 1.447 ( 3.553 1.472 3.842) 5.436 1.489 ( -0.993 1.218 -1.396) 2.102 1.629 ( 1.052 -2.030 2.394) 3.310 1.808 ( 2.598 -2.848 -1.004) 3.983 2.031 ( -4.169 2.280 6.707) 8.219 2.126 ( 3.760 2.167 -1.362) 4.549 2.331 ( -1.934 0.045 4.189) 4.614 2.369 ( -1.035 -1.297 2.494) 2.996 2.517 ( 5.235 -1.236 -7.618) 9.326 2.668 ( -3.925 3.230 3.878) 6.394 2.720 ( -2.711 0.126 6.142) 6.715 3.273 ( -2.115 -0.868 9.955) 10.214 3.645 ( 1.970 -0.029 -4.287) 4.718 3.753 ( -0.619 0.721 0.718) 1.191 4.396 ( 0.138 0.753 -2.142) 2.275 4.949 ( -2.859 -1.730 8.490) 9.124 5.376 ( 12.886 1.050 -18.458) 22.536 5.512 ( 1.884 -0.619 -13.697) 13.840 6.385 ( 2.488 2.265 -10.104) 10.649 6.789 ( 2.413 -1.497 3.248) 4.314 7.891 ( 2.118 0.351 -2.137) 3.029 8.049 ( 1.477 -0.194 2.433) 2.853 9.848 ( -1.365 -0.036 -0.274) 1.393 9.974 ( -1.975 -0.603 2.651) 3.360 10.386 ( -2.589 5.146 0.267) 5.767 10.488 ( -2.375 -5.725 -0.091) 6.199 10.913 ( -0.547 0.644 -4.313) 4.395 11.126 ( -0.653 -0.642 -0.345) 0.978 11.451 ( 4.019 0.577 1.840) 4.458 11.488 ( 4.641 0.325 3.833) 6.028 22.092 ( 0.315 0.227 -1.253) 1.312 22.211 ( -2.401 0.081 2.798) 3.688 22.389 ( 8.270 -0.549 -4.855) 9.605 22.832 ( 1.896 -0.845 5.892) 6.247 23.054 ( -4.818 1.303 -8.185) 9.587 23.358 ( 1.858 -1.731 5.211) 5.797 24.000 ( 3.073 5.861 -1.950) 6.900 24.150 ( -2.233 -4.213 -0.849) 4.843 ======================= Grid point 385 (150/216) ======================= q-point: (-0.27 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( 7.159 0.000 3.031) 7.774 0.980 ( -3.676 -0.000 -0.967) 3.801 1.272 ( -6.549 -0.000 1.762) 6.782 1.344 ( -0.025 -0.000 -5.232) 5.232 1.377 ( 2.345 0.000 0.908) 2.514 1.583 ( -5.524 0.000 3.590) 6.588 1.613 ( 1.672 0.000 1.820) 2.472 1.740 ( 2.434 -0.000 -3.494) 4.259 2.015 ( 6.177 -0.000 -5.597) 8.336 2.133 ( -0.498 0.000 5.432) 5.455 2.328 ( 4.224 0.000 1.750) 4.572 2.385 ( 4.857 -0.000 -5.332) 7.213 2.400 ( -1.048 0.000 2.070) 2.320 2.749 ( 1.991 0.000 3.935) 4.410 2.833 ( -8.929 0.000 5.225) 10.345 3.323 ( 1.111 0.000 1.631) 1.974 3.584 ( 2.383 -0.000 -3.550) 4.276 3.775 ( 1.805 0.000 4.387) 4.744 4.434 ( -4.130 0.000 2.793) 4.986 5.052 ( -3.890 0.000 5.716) 6.914 5.057 ( 10.506 -0.000 -14.974) 18.292 5.430 ( -1.790 -0.000 -7.763) 7.967 6.294 ( 1.255 -0.000 -8.941) 9.029 6.788 ( 2.619 0.000 8.707) 9.092 7.850 ( 1.026 -0.000 -2.121) 2.356 8.047 ( 0.817 0.000 2.354) 2.491 9.865 ( -0.807 -0.000 0.222) 0.837 10.018 ( -1.055 0.000 3.060) 3.237 10.373 ( 3.501 -0.000 -2.809) 4.489 10.549 ( -5.462 -0.000 1.365) 5.630 10.910 ( -2.638 -0.000 -4.498) 5.215 11.133 ( -0.890 -0.000 -0.527) 1.034 11.405 ( 2.880 0.000 0.227) 2.889 11.445 ( 3.894 0.000 2.398) 4.573 22.087 ( -0.745 -0.000 -1.249) 1.454 22.247 ( 5.631 -0.000 -3.293) 6.524 22.291 ( -4.143 0.000 4.647) 6.226 22.847 ( 2.565 0.000 8.701) 9.071 23.073 ( -4.232 -0.000 -8.344) 9.356 23.367 ( 0.270 0.000 4.078) 4.087 23.944 ( 3.905 -0.000 -3.582) 5.299 24.151 ( -1.253 -0.000 -2.220) 2.549 ======================= Grid point 392 (151/216) ======================= q-point: ( 0.36 0.09 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.435 ( 0.000 4.846 16.054) 16.769 0.562 ( 0.000 10.433 14.890) 18.181 0.936 ( 0.000 -1.748 13.061) 13.178 1.177 ( -0.000 9.288 -5.108) 10.600 1.291 ( 0.000 5.332 11.340) 12.531 1.624 ( -0.000 2.282 -0.442) 2.324 1.659 ( 0.000 20.808 15.431) 25.905 1.775 ( -0.000 -2.808 -2.777) 3.949 1.901 ( 0.000 -14.098 0.831) 14.123 1.920 ( -0.000 3.721 0.882) 3.824 2.030 ( 0.000 -4.089 0.828) 4.172 2.033 ( -0.000 11.553 -0.088) 11.553 2.305 ( 0.000 -3.959 3.089) 5.022 2.536 ( 0.000 -1.307 -0.289) 1.338 2.965 ( -0.000 3.377 -4.103) 5.314 3.214 ( -0.000 -3.051 -5.157) 5.992 3.429 ( -0.000 10.165 -0.521) 10.178 4.050 ( -0.000 -2.381 -3.806) 4.489 4.414 ( 0.000 3.384 2.929) 4.476 5.099 ( -0.000 -8.845 -4.924) 10.123 5.878 ( -0.000 2.052 -2.955) 3.597 6.099 ( -0.000 -2.534 -9.692) 10.018 6.523 ( -0.000 8.828 -8.185) 12.039 6.975 ( -0.000 -1.326 -15.319) 15.376 7.954 ( 0.000 2.522 2.114) 3.290 8.144 ( 0.000 -1.698 0.092) 1.701 9.749 ( -0.000 0.325 -1.244) 1.285 9.826 ( 0.000 7.997 6.574) 10.352 9.932 ( 0.000 -3.452 -0.164) 3.456 10.751 ( 0.000 -12.780 2.189) 12.966 10.880 ( -0.000 3.316 -1.979) 3.862 11.230 ( -0.000 -3.893 -3.368) 5.148 11.568 ( 0.000 2.846 3.310) 4.365 11.651 ( 0.000 2.817 2.586) 3.824 22.062 ( -0.000 1.768 0.343) 1.801 22.277 ( 0.000 -2.735 -0.685) 2.820 22.798 ( -0.000 1.011 -3.138) 3.296 22.835 ( -0.000 0.274 -1.795) 1.816 23.087 ( -0.000 3.997 -3.693) 5.442 23.594 ( -0.000 -6.121 -7.976) 10.054 23.900 ( 0.000 2.282 6.604) 6.987 23.961 ( 0.000 1.163 6.934) 7.031 ======================= Grid point 393 (152/216) ======================= q-point: ( 0.45 0.09 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.595 ( -3.043 5.136 13.950) 15.173 0.833 ( -5.545 12.202 4.632) 14.181 1.080 ( -6.916 -5.142 20.150) 21.915 1.239 ( -2.274 7.998 -3.483) 9.015 1.409 ( 1.723 1.639 7.818) 8.172 1.597 ( 3.657 2.412 1.357) 4.587 1.717 ( -0.861 -0.890 -1.748) 2.142 1.780 ( -1.033 -10.594 -0.703) 10.668 1.925 ( -0.049 6.785 7.903) 10.416 1.993 ( -2.807 2.925 7.512) 8.536 2.073 ( -5.078 -0.983 2.815) 5.889 2.157 ( -5.159 9.121 3.842) 11.161 2.317 ( 1.287 1.309 5.420) 5.722 2.533 ( -0.359 0.266 1.073) 1.163 2.915 ( 5.318 2.290 -6.618) 8.794 3.141 ( 0.508 -1.164 -0.054) 1.272 3.532 ( -4.473 6.086 -4.838) 8.969 3.961 ( 3.325 -3.458 -6.264) 7.890 4.454 ( 2.181 4.518 3.260) 5.983 4.991 ( -0.335 -8.687 -4.232) 9.669 5.825 ( 4.508 1.356 -7.660) 8.991 5.966 ( 3.927 -1.849 -12.284) 13.028 6.490 ( 3.183 7.924 -11.917) 14.661 6.850 ( -1.953 -1.223 -18.819) 18.959 7.977 ( 1.769 2.635 2.163) 3.841 8.126 ( 0.863 -1.491 0.489) 1.791 9.755 ( -1.483 0.557 -0.844) 1.795 9.912 ( -1.464 -3.615 0.039) 3.900 9.977 ( -3.361 7.821 7.197) 11.147 10.668 ( -0.017 -12.145 2.768) 12.457 10.892 ( -0.068 3.336 -2.440) 4.134 11.172 ( -0.319 -3.954 -4.274) 5.831 11.587 ( 3.820 3.517 4.639) 6.963 11.669 ( 2.817 1.815 3.477) 4.829 22.079 ( -0.050 1.764 0.358) 1.800 22.239 ( 1.097 -2.612 -0.766) 2.934 22.796 ( -1.209 1.284 -4.264) 4.615 22.801 ( 2.112 0.427 -2.725) 3.474 23.042 ( 4.816 1.914 -5.126) 7.290 23.488 ( -0.225 -5.073 -4.534) 6.807 23.935 ( 2.411 2.848 6.044) 7.103 24.069 ( -3.951 0.525 5.343) 6.666 ======================= Grid point 394 (153/216) ======================= q-point: ( 0.55 0.09 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( -4.591 4.552 9.934) 11.852 0.982 ( -2.343 7.782 2.764) 8.585 1.272 ( -2.866 -1.450 7.158) 7.845 1.319 ( 1.693 0.985 2.047) 2.833 1.331 ( 1.516 -0.697 0.685) 1.803 1.581 ( 3.377 3.253 1.199) 4.840 1.704 ( -0.386 -8.344 -0.724) 8.384 1.803 ( -5.046 2.172 6.836) 8.770 2.019 ( 2.329 1.978 0.721) 3.140 2.083 ( -3.028 0.097 4.514) 5.436 2.135 ( -6.334 -0.549 5.550) 8.439 2.347 ( -0.346 0.801 3.872) 3.969 2.438 ( -8.295 7.288 12.252) 16.494 2.578 ( 0.346 4.567 6.061) 7.597 2.763 ( 6.997 -0.214 -7.436) 10.212 3.184 ( -3.465 -0.554 5.562) 6.577 3.589 ( -3.804 3.472 -7.311) 8.943 3.815 ( 4.188 -3.314 -8.051) 9.661 4.455 ( 4.281 4.035 1.467) 6.063 4.926 ( -2.528 -6.702 -2.677) 7.647 5.653 ( 8.007 0.875 -11.708) 14.211 5.771 ( 8.153 -1.018 -12.901) 15.295 6.391 ( 2.440 4.833 -16.288) 17.164 6.768 ( -3.981 0.007 -14.778) 15.304 7.966 ( 3.181 1.799 0.616) 3.706 8.105 ( 1.325 -0.726 1.496) 2.126 9.785 ( -2.277 0.309 -0.590) 2.372 9.920 ( -2.577 -2.852 0.648) 3.898 10.150 ( -4.116 7.100 6.655) 10.566 10.597 ( -0.122 -10.367 2.671) 10.707 10.894 ( 0.348 2.527 -3.483) 4.317 11.122 ( -1.093 -3.190 -4.109) 5.315 11.577 ( 5.101 3.071 4.662) 7.562 11.646 ( 4.909 1.170 4.206) 6.569 22.095 ( 0.118 1.388 0.157) 1.402 22.200 ( 0.751 -1.924 -0.153) 2.071 22.692 ( 8.634 0.821 -4.500) 9.771 22.815 ( -3.169 0.513 -3.924) 5.070 22.943 ( 1.114 -0.853 -5.951) 6.114 23.459 ( -0.274 -2.489 1.777) 3.070 23.964 ( 1.957 4.050 3.553) 5.732 24.143 ( -1.966 -1.034 2.481) 3.330 ======================= Grid point 395 (154/216) ======================= q-point: ( 0.64 0.09 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( -0.866 1.687 4.997) 5.344 1.120 ( -3.563 4.724 7.235) 9.347 1.169 ( 6.074 -2.635 -3.267) 7.384 1.299 ( -0.650 -0.822 -1.151) 1.557 1.412 ( -2.983 -1.570 2.127) 3.986 1.555 ( 6.372 5.689 2.159) 8.811 1.668 ( -1.126 -4.119 1.476) 4.518 1.907 ( 3.677 -6.549 0.919) 7.567 1.977 ( -3.749 5.258 5.285) 8.345 2.145 ( 1.163 2.396 1.155) 2.903 2.303 ( -5.538 1.367 6.716) 8.811 2.377 ( -1.090 -1.096 1.797) 2.370 2.549 ( 3.562 0.671 -5.659) 6.720 2.655 ( 1.647 5.262 5.699) 7.929 2.730 ( -3.567 -0.379 12.984) 13.471 3.299 ( -3.771 -0.878 8.222) 9.088 3.612 ( -2.214 1.045 -6.408) 6.860 3.706 ( -1.331 -0.491 -5.434) 5.616 4.417 ( 3.995 2.126 1.041) 4.644 4.915 ( -5.006 -3.325 -6.517) 8.865 5.440 ( 11.507 2.484 -12.256) 16.993 5.526 ( 7.675 -2.396 -8.661) 11.817 6.272 ( -0.832 1.600 -19.319) 19.403 6.759 ( -4.340 0.861 -7.783) 8.953 7.920 ( 3.414 0.571 -0.929) 3.584 8.093 ( 1.689 0.041 2.288) 2.844 9.819 ( -2.053 0.048 -0.119) 2.057 9.956 ( -3.082 -1.437 1.388) 3.673 10.309 ( -3.423 5.980 5.506) 8.820 10.541 ( 0.258 -7.822 2.324) 8.164 10.872 ( 0.229 0.814 -4.648) 4.725 11.099 ( -1.796 -1.566 -3.608) 4.324 11.540 ( 5.631 1.626 3.246) 6.700 11.600 ( 5.708 0.839 4.514) 7.326 22.093 ( 0.802 0.415 -0.627) 1.100 22.197 ( -1.405 -0.608 1.535) 2.168 22.505 ( 9.901 -0.150 -4.217) 10.763 22.846 ( -3.287 -0.380 -1.745) 3.741 22.915 ( -3.226 -0.042 -6.829) 7.553 23.461 ( 2.077 -1.419 6.329) 6.810 23.984 ( 2.587 6.003 0.233) 6.540 24.152 ( -0.909 -3.766 -0.324) 3.888 ======================= Grid point 396 (155/216) ======================= q-point: ( 0.73 0.09 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( -0.694 -0.998 1.175) 1.690 1.058 ( 3.958 -0.494 -1.993) 4.459 1.242 ( -1.800 1.472 7.880) 8.216 1.283 ( -0.640 -1.699 -1.468) 2.335 1.453 ( -0.318 0.603 -3.346) 3.415 1.541 ( 0.952 3.010 8.327) 8.905 1.662 ( 1.584 -1.112 2.098) 2.854 1.786 ( 4.361 -3.297 -1.532) 5.678 2.067 ( 4.773 1.366 -4.367) 6.612 2.141 ( -2.864 0.663 5.846) 6.544 2.369 ( 2.130 1.116 -0.338) 2.428 2.396 ( -0.231 0.633 1.439) 1.589 2.458 ( 3.333 -1.346 0.764) 3.674 2.755 ( -1.378 5.433 7.441) 9.316 2.822 ( -0.561 -2.795 7.416) 7.945 3.343 ( 0.284 -1.662 -1.391) 2.186 3.578 ( 0.486 0.012 -4.696) 4.722 3.786 ( -4.339 1.314 4.215) 6.190 4.417 ( -1.147 0.418 5.851) 5.977 4.931 ( -8.098 -0.647 -12.667) 15.049 5.139 ( 13.255 0.499 -13.628) 19.018 5.425 ( 2.746 -0.705 3.905) 4.825 6.173 ( -3.378 0.156 -18.997) 19.295 6.799 ( -4.178 0.609 -1.853) 4.611 7.865 ( 2.483 0.011 -1.426) 2.864 8.084 ( 1.659 0.188 2.330) 2.867 9.848 ( -1.508 -0.026 0.305) 1.539 10.008 ( -2.611 -0.269 1.997) 3.298 10.410 ( 1.170 2.697 2.999) 4.200 10.514 ( -1.858 -3.241 3.764) 5.303 10.843 ( -1.251 -0.345 -5.347) 5.503 11.095 ( -1.873 -0.382 -3.793) 4.247 11.477 ( 5.386 0.547 1.525) 5.625 11.545 ( 5.625 0.301 3.671) 6.724 22.077 ( 0.449 0.005 -0.920) 1.024 22.251 ( -3.150 -0.066 2.602) 4.086 22.341 ( 7.283 -0.048 -1.673) 7.473 22.889 ( -2.767 -0.733 1.694) 3.326 22.929 ( -4.824 0.588 -8.424) 9.725 23.458 ( 3.835 -0.885 8.526) 9.391 23.971 ( 4.663 5.920 -1.992) 7.794 24.120 ( -1.682 -4.810 -3.263) 6.050 ======================= Grid point 397 (156/216) ======================= q-point: (-0.18 0.09 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( -0.778 -0.000 -3.086) 3.182 0.992 ( 4.635 0.000 2.518) 5.275 1.283 ( -2.174 -0.000 -1.817) 2.833 1.358 ( -3.482 0.000 10.000) 10.589 1.393 ( 3.837 0.000 -0.014) 3.837 1.637 ( 2.030 0.000 1.394) 2.463 1.656 ( -4.058 0.000 5.844) 7.115 1.700 ( 3.330 -0.000 -1.975) 3.872 1.937 ( 5.328 -0.000 -4.630) 7.059 2.199 ( 2.056 0.000 3.751) 4.277 2.295 ( 4.285 -0.000 -3.610) 5.603 2.398 ( 6.244 0.000 4.241) 7.548 2.411 ( -0.342 -0.000 -0.275) 0.439 2.786 ( 4.282 0.000 0.033) 4.282 2.901 ( -5.328 0.000 3.655) 6.461 3.269 ( 3.331 -0.000 -7.534) 8.238 3.530 ( 1.730 -0.000 -3.568) 3.966 3.833 ( 2.331 0.000 3.308) 4.047 4.528 ( -1.215 0.000 8.253) 8.342 4.924 ( 1.991 -0.000 -1.837) 2.709 4.993 ( -10.584 -0.000 -10.829) 15.143 5.456 ( -0.771 0.000 8.674) 8.708 6.109 ( -4.448 -0.000 -16.376) 16.969 6.869 ( -3.707 0.000 2.636) 4.549 7.826 ( 1.082 -0.000 -1.244) 1.649 8.079 ( 0.989 0.000 1.965) 2.200 9.868 ( -0.681 -0.000 0.205) 0.711 10.056 ( -1.479 0.000 2.181) 2.636 10.366 ( 5.608 0.000 1.746) 5.874 10.596 ( -3.873 0.000 5.015) 6.336 10.832 ( -2.652 -0.000 -5.977) 6.539 11.095 ( -2.066 -0.000 -4.428) 4.887 11.405 ( 4.286 0.000 -0.279) 4.295 11.481 ( 5.202 0.000 2.322) 5.696 22.072 ( -0.740 -0.000 -0.807) 1.095 22.212 ( 5.052 0.000 -1.506) 5.272 22.367 ( -4.980 0.000 5.682) 7.556 22.945 ( -4.608 -0.000 -9.117) 10.215 22.946 ( -1.577 0.000 4.908) 5.155 23.453 ( 3.521 0.000 7.952) 8.697 23.899 ( 4.952 -0.000 -2.557) 5.573 24.093 ( -1.411 -0.000 -5.692) 5.865 ======================= Grid point 404 (157/216) ======================= q-point: ( 0.45 0.18 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.668 ( 0.000 6.702 15.125) 16.544 0.735 ( 0.000 11.365 8.812) 14.382 1.126 ( -0.000 7.743 -1.530) 7.892 1.215 ( 0.000 -4.670 23.389) 23.851 1.512 ( 0.000 1.427 18.004) 18.060 1.613 ( -0.000 2.611 -1.225) 2.884 1.674 ( -0.000 -0.383 -5.771) 5.784 1.855 ( 0.000 -8.742 0.987) 8.797 1.924 ( -0.000 4.075 -0.754) 4.144 2.042 ( 0.000 6.509 22.091) 23.030 2.051 ( 0.000 9.192 3.229) 9.742 2.054 ( 0.000 -1.063 3.630) 3.783 2.378 ( 0.000 -2.645 7.307) 7.771 2.535 ( 0.000 0.452 0.490) 0.667 2.890 ( -0.000 6.134 -5.655) 8.343 3.121 ( -0.000 -0.246 -7.120) 7.124 3.410 ( -0.000 5.784 -2.117) 6.159 3.965 ( -0.000 -3.274 -8.088) 8.725 4.470 ( 0.000 3.549 4.519) 5.746 5.006 ( -0.000 -7.926 -8.056) 11.301 5.810 ( -0.000 1.429 -6.065) 6.231 5.896 ( -0.000 -1.004 -18.062) 18.090 6.363 ( -0.000 7.011 -13.407) 15.129 6.666 ( -0.000 -0.194 -26.483) 26.484 7.989 ( 0.000 2.747 2.535) 3.739 8.145 ( 0.000 -1.060 -0.122) 1.067 9.730 ( -0.000 0.283 -1.093) 1.129 9.930 ( 0.000 -3.532 0.207) 3.538 9.960 ( 0.000 6.463 11.038) 12.791 10.792 ( 0.000 -12.427 3.234) 12.841 10.854 ( -0.000 2.336 -1.266) 2.657 11.162 ( -0.000 -3.471 -5.967) 6.904 11.625 ( 0.000 3.691 4.233) 5.616 11.697 ( 0.000 3.067 3.464) 4.627 22.070 ( 0.000 1.358 0.805) 1.578 22.263 ( -0.000 -2.643 -1.269) 2.932 22.734 ( -0.000 1.347 -5.244) 5.414 22.798 ( -0.000 0.167 -3.230) 3.234 23.049 ( -0.000 1.589 -1.241) 2.016 23.472 ( -0.000 -6.823 -8.561) 10.947 23.994 ( 0.000 3.119 6.102) 6.853 24.064 ( 0.000 1.373 6.493) 6.637 ======================= Grid point 405 (158/216) ======================= q-point: ( 0.55 0.18 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.815 ( 0.856 5.630 14.980) 16.025 0.891 ( -1.129 10.796 3.967) 11.557 1.205 ( -2.576 6.875 -0.886) 7.395 1.371 ( -3.916 -6.109 17.734) 19.161 1.513 ( 7.696 -4.078 6.343) 10.775 1.613 ( 2.562 2.286 -0.225) 3.441 1.735 ( -5.294 3.790 5.898) 8.785 1.766 ( -0.126 -9.940 -0.969) 9.988 1.977 ( -2.897 5.656 2.397) 6.792 2.074 ( -1.674 -2.643 -0.355) 3.148 2.124 ( -0.545 3.754 8.039) 8.889 2.332 ( -6.148 2.798 12.359) 14.085 2.425 ( 0.585 2.179 10.548) 10.786 2.590 ( -1.437 4.732 10.141) 11.283 2.821 ( 7.730 4.008 -5.658) 10.385 3.133 ( -6.090 -0.082 -0.782) 6.141 3.446 ( -2.841 3.378 -6.516) 7.870 3.837 ( 2.980 -4.420 -10.948) 12.177 4.504 ( 3.239 3.768 3.189) 5.904 4.894 ( -1.670 -6.833 -10.040) 12.258 5.697 ( 6.232 0.404 -9.911) 11.715 5.762 ( 2.862 0.847 -14.121) 14.433 6.268 ( 3.234 3.761 -18.834) 19.476 6.531 ( -6.329 2.019 -23.769) 24.680 8.007 ( 2.567 2.349 1.848) 3.940 8.133 ( 0.548 -0.509 0.518) 0.910 9.744 ( -1.860 0.426 -0.372) 1.944 9.914 ( -1.579 -3.413 0.096) 3.762 10.110 ( -2.067 6.053 10.810) 12.560 10.712 ( 0.660 -11.179 3.119) 11.625 10.861 ( 0.017 1.463 -1.753) 2.283 11.095 ( -0.784 -3.251 -6.290) 7.124 11.656 ( 3.530 3.561 4.581) 6.792 11.723 ( 2.643 2.189 3.665) 5.021 22.087 ( -0.076 1.229 0.750) 1.442 22.226 ( 0.694 -2.449 -1.106) 2.775 22.720 ( -1.262 1.787 -5.588) 6.001 22.755 ( 2.551 0.379 -3.634) 4.457 22.982 ( 5.707 -1.818 -3.167) 6.776 23.416 ( -5.646 -4.256 -4.948) 8.630 24.025 ( 3.768 3.081 6.005) 7.729 24.139 ( -1.521 1.213 4.099) 4.537 ======================= Grid point 406 (159/216) ======================= q-point: ( 0.64 0.18 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( 1.396 5.354 7.038) 8.953 1.022 ( -4.682 5.298 3.797) 8.025 1.277 ( -1.048 3.584 -0.206) 3.740 1.341 ( 9.058 -4.746 2.588) 10.548 1.480 ( 0.907 -6.652 11.194) 13.052 1.607 ( 3.414 5.382 3.141) 7.106 1.695 ( -1.396 -7.502 -0.332) 7.639 1.898 ( -5.110 5.375 5.708) 9.359 2.006 ( 3.465 -1.640 -1.518) 4.123 2.127 ( -2.963 2.725 1.691) 4.366 2.254 ( -4.551 2.387 9.664) 10.945 2.385 ( -0.761 -2.178 0.560) 2.374 2.540 ( 0.731 3.949 1.302) 4.222 2.710 ( 5.006 4.247 4.817) 8.142 2.797 ( -3.163 1.225 19.329) 19.625 3.281 ( -7.354 0.479 8.775) 11.459 3.462 ( -5.085 1.900 -10.085) 11.454 3.672 ( 1.931 -3.588 -11.436) 12.140 4.484 ( 4.751 3.091 2.636) 6.251 4.787 ( -2.879 -4.640 -17.327) 18.167 5.538 ( 10.525 1.737 -5.525) 12.013 5.591 ( 4.799 -0.332 -9.023) 10.226 6.086 ( 0.006 -0.009 -25.225) 25.225 6.541 ( -9.084 3.698 -16.094) 18.848 7.972 ( 4.149 1.039 0.225) 4.283 8.129 ( 1.081 0.436 1.654) 2.024 9.782 ( -2.331 0.387 0.375) 2.392 9.928 ( -2.943 -2.365 0.447) 3.802 10.268 ( -2.683 5.189 9.360) 11.034 10.640 ( 0.845 -9.042 3.067) 9.585 10.844 ( 0.596 0.170 -3.409) 3.465 11.050 ( -1.854 -2.170 -5.700) 6.375 11.639 ( 5.540 2.660 3.759) 7.204 11.706 ( 4.657 1.569 3.855) 6.246 22.098 ( 0.423 0.630 0.286) 0.811 22.199 ( -0.339 -1.541 0.040) 1.579 22.632 ( 9.227 1.155 -3.693) 10.006 22.738 ( -3.426 1.406 -6.031) 7.077 22.875 ( -0.298 -4.406 -3.687) 5.753 23.475 ( -5.160 -0.950 0.669) 5.289 24.019 ( 4.795 3.406 3.897) 7.056 24.171 ( 0.372 -0.532 1.343) 1.491 ======================= Grid point 407 (160/216) ======================= q-point: ( 0.73 0.18 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( 1.024 1.129 2.538) 2.961 1.120 ( 1.426 -2.415 -1.615) 3.236 1.204 ( 1.122 0.861 0.994) 1.728 1.314 ( -0.789 1.562 1.935) 2.608 1.463 ( 1.795 -6.208 6.983) 9.514 1.611 ( 4.798 6.887 4.906) 9.722 1.694 ( -1.149 -2.773 2.223) 3.735 1.897 ( 5.556 -3.932 -0.947) 6.872 2.055 ( -3.467 3.216 3.022) 5.611 2.138 ( 1.030 0.679 -1.066) 1.630 2.376 ( -1.119 2.004 1.597) 2.796 2.395 ( -0.057 0.573 1.501) 1.607 2.511 ( 2.577 1.601 2.093) 3.686 2.784 ( 1.509 5.831 11.321) 12.824 2.924 ( 1.591 -2.376 12.424) 12.749 3.344 ( 0.621 -2.675 -4.416) 5.200 3.520 ( -3.654 -0.059 -5.919) 6.956 3.683 ( -9.882 2.140 4.770) 11.180 4.471 ( 2.420 1.743 7.227) 7.818 4.681 ( -7.105 -2.559 -22.927) 24.139 5.269 ( 14.537 0.876 -10.793) 18.127 5.533 ( 3.444 -0.514 6.912) 7.740 5.932 ( -5.215 -0.915 -26.978) 27.493 6.626 ( -9.898 2.855 -10.183) 14.485 7.909 ( 3.966 0.159 -0.626) 4.018 8.125 ( 1.740 0.674 1.982) 2.722 9.824 ( -1.975 0.124 0.779) 2.127 9.973 ( -3.468 -0.743 1.009) 3.687 10.408 ( -1.957 4.058 7.833) 9.037 10.585 ( 1.207 -6.152 3.526) 7.193 10.802 ( 0.022 -1.199 -4.978) 5.121 11.032 ( -2.234 -0.845 -5.451) 5.951 11.580 ( 6.602 1.484 2.306) 7.149 11.659 ( 5.795 0.907 3.437) 6.798 22.085 ( 1.045 -0.173 -0.461) 1.155 22.223 ( -2.644 -0.334 1.916) 3.282 22.459 ( 9.329 0.253 -2.249) 9.600 22.768 ( -4.511 1.790 -7.280) 8.750 22.862 ( -4.032 -3.602 -1.832) 5.708 23.552 ( -1.264 0.412 6.004) 6.149 23.986 ( 5.173 4.694 0.123) 6.986 24.139 ( 1.379 -3.585 -1.402) 4.089 ======================= Grid point 408 (161/216) ======================= q-point: (-0.18 0.18 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( 1.320 -2.152 -0.252) 2.537 1.038 ( 2.317 -0.694 -0.533) 2.477 1.229 ( -2.816 -0.053 -1.432) 3.160 1.381 ( -3.326 1.810 -2.288) 4.424 1.450 ( 2.098 -2.810 11.275) 11.808 1.658 ( 1.965 6.232 6.324) 9.094 1.689 ( 1.401 -1.008 1.645) 2.384 1.775 ( 4.506 -4.749 0.689) 6.582 1.990 ( 5.466 -0.331 -5.514) 7.771 2.220 ( -2.731 1.229 4.654) 5.534 2.346 ( 4.904 1.244 -1.568) 5.297 2.408 ( -0.413 0.282 0.293) 0.580 2.512 ( 3.987 0.921 5.031) 6.485 2.859 ( 3.776 1.759 5.172) 6.641 2.916 ( 3.732 1.020 5.780) 6.955 3.251 ( 0.497 -3.159 -9.162) 9.704 3.520 ( -0.203 0.085 -2.801) 2.809 3.853 ( -2.332 2.035 3.971) 5.035 4.576 ( -3.005 0.340 15.307) 15.603 4.682 ( -14.318 -1.047 -18.130) 23.125 4.994 ( 10.150 -0.088 -5.954) 11.767 5.544 ( 2.566 -0.321 9.449) 9.796 5.851 ( -8.900 -0.501 -24.783) 26.337 6.747 ( -9.721 1.345 -4.738) 10.898 7.849 ( 2.710 -0.106 -0.751) 2.814 8.114 ( 1.798 0.412 1.713) 2.517 9.856 ( -1.294 -0.027 0.693) 1.468 10.032 ( -2.897 0.232 1.379) 3.217 10.468 ( 3.747 0.438 4.691) 6.020 10.590 ( -2.249 -0.829 6.261) 6.704 10.762 ( -1.530 -1.617 -5.666) 6.088 11.023 ( -2.185 -0.098 -5.871) 6.265 11.493 ( 6.591 0.558 0.786) 6.661 11.589 ( 6.146 0.259 2.383) 6.597 22.066 ( 0.472 -0.223 -0.564) 0.768 22.275 ( 1.115 -0.281 0.618) 1.305 22.347 ( 1.112 0.617 2.343) 2.666 22.799 ( -4.819 1.154 -8.042) 9.446 22.909 ( -5.257 -1.924 0.279) 5.605 23.597 ( 3.745 0.328 10.332) 10.994 23.939 ( 5.187 6.516 -2.729) 8.764 24.059 ( 0.270 -6.358 -4.857) 8.006 ======================= Grid point 409 (162/216) ======================= q-point: (-0.09 0.18 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( 2.121 -0.000 -3.135) 3.785 1.020 ( 0.853 0.000 1.336) 1.585 1.290 ( -2.879 0.000 2.250) 3.654 1.375 ( 0.792 -0.000 -2.317) 2.448 1.528 ( -1.205 0.000 11.481) 11.544 1.649 ( 1.871 0.000 0.013) 1.871 1.687 ( 3.419 0.000 0.634) 3.477 1.724 ( 1.364 0.000 2.894) 3.199 1.895 ( 1.567 -0.000 -1.034) 1.877 2.238 ( 4.789 0.000 1.315) 4.966 2.256 ( 5.127 -0.000 -1.744) 5.415 2.410 ( 0.319 0.000 0.970) 1.021 2.466 ( 5.716 0.000 4.619) 7.349 2.719 ( 10.386 -0.000 -8.977) 13.728 2.930 ( 1.111 0.000 0.372) 1.172 3.175 ( 1.278 -0.000 -3.808) 4.016 3.489 ( 0.899 -0.000 -2.002) 2.195 3.870 ( 2.117 0.000 1.859) 2.817 4.598 ( 8.825 0.000 1.287) 8.918 4.841 ( -16.853 -0.000 -8.430) 18.844 5.032 ( -10.320 0.000 14.687) 17.951 5.583 ( -0.316 0.000 7.261) 7.268 5.842 ( -9.865 -0.000 -19.287) 21.664 6.879 ( -8.358 -0.000 -0.518) 8.374 7.814 ( 1.084 -0.000 -0.513) 1.200 8.102 ( 1.147 0.000 1.151) 1.626 9.871 ( -0.145 0.000 0.219) 0.263 10.080 ( -1.669 0.000 1.182) 2.045 10.409 ( 6.500 0.000 3.475) 7.371 10.683 ( -2.855 0.000 6.471) 7.073 10.747 ( -2.519 -0.000 -5.213) 5.789 11.016 ( -2.435 -0.000 -5.952) 6.431 11.399 ( 5.433 0.000 -0.449) 5.452 11.508 ( 5.738 0.000 1.290) 5.882 22.063 ( -0.778 -0.000 -0.396) 0.873 22.199 ( 4.970 0.000 -0.425) 4.988 22.451 ( -6.424 0.000 5.503) 8.459 22.820 ( -4.237 -0.000 -7.602) 8.703 22.992 ( -4.815 0.000 1.734) 5.118 23.585 ( 6.540 0.000 9.476) 11.514 23.871 ( 5.556 0.000 -1.348) 5.717 23.993 ( -1.968 -0.000 -7.605) 7.856 ======================= Grid point 410 (163/216) ======================= q-point: ( 0.00 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( 3.314 0.000 -0.000) 3.314 1.030 ( -0.257 -0.000 0.000) 0.257 1.333 ( -5.673 -0.000 0.000) 5.673 1.333 ( 1.867 0.000 -0.000) 1.867 1.629 ( 0.217 0.000 -0.000) 0.217 1.632 ( 1.732 0.000 -0.000) 1.732 1.708 ( 1.042 0.000 -0.000) 1.042 1.742 ( 4.808 0.000 -0.000) 4.808 1.893 ( -1.248 -0.000 0.000) 1.248 2.241 ( 6.800 0.000 -0.000) 6.800 2.244 ( 5.410 0.000 -0.000) 5.410 2.434 ( -0.904 -0.000 0.000) 0.904 2.506 ( 4.842 0.000 -0.000) 4.842 2.618 ( 15.073 0.000 -0.000) 15.073 2.927 ( 5.047 0.000 -0.000) 5.047 3.153 ( -0.099 -0.000 0.000) 0.099 3.474 ( 0.449 0.000 -0.000) 0.449 3.884 ( 1.763 0.000 -0.000) 1.763 4.602 ( 10.948 0.000 -0.000) 10.948 4.777 ( -19.631 -0.000 0.000) 19.631 5.196 ( -11.300 -0.000 0.000) 11.300 5.639 ( -0.140 -0.000 0.000) 0.140 5.652 ( -13.430 -0.000 0.000) 13.430 6.872 ( -10.107 -0.000 0.000) 10.107 7.810 ( 1.069 0.000 -0.000) 1.069 8.110 ( 1.203 0.000 -0.000) 1.203 9.873 ( 0.136 0.000 -0.000) 0.136 10.089 ( -1.703 -0.000 0.000) 1.703 10.441 ( 6.925 0.000 -0.000) 6.925 10.704 ( -2.680 -0.000 0.000) 2.680 10.744 ( -2.517 -0.000 0.000) 2.517 10.959 ( -2.521 -0.000 0.000) 2.521 11.395 ( 5.888 0.000 -0.000) 5.888 11.517 ( 5.878 0.000 -0.000) 5.878 22.060 ( -0.798 -0.000 0.000) 0.798 22.197 ( 4.972 0.000 -0.000) 4.972 22.500 ( -7.617 -0.000 0.000) 7.617 22.755 ( -3.443 -0.000 0.000) 3.443 23.004 ( -5.857 -0.000 0.000) 5.857 23.675 ( 9.159 0.000 -0.000) 9.159 23.861 ( 5.749 0.000 -0.000) 5.749 23.917 ( -3.831 -0.000 0.000) 3.831 ======================= Grid point 416 (164/216) ======================= q-point: ( 0.55 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( 0.000 11.126 6.225) 12.749 0.861 ( 0.000 10.678 11.521) 15.708 1.135 ( 0.000 3.558 2.513) 4.356 1.542 ( 0.000 -8.610 17.415) 19.427 1.591 ( 0.000 5.961 0.830) 6.018 1.604 ( 0.000 0.072 -3.096) 3.097 1.757 ( -0.000 -0.818 13.073) 13.099 1.846 ( 0.000 -9.275 -0.950) 9.324 1.903 ( 0.000 5.563 -1.370) 5.729 2.097 ( 0.000 -0.680 3.731) 3.792 2.150 ( 0.000 3.993 11.975) 12.623 2.353 ( -0.000 0.592 10.733) 10.749 2.503 ( -0.000 -0.390 7.920) 7.930 2.622 ( 0.000 6.525 18.255) 19.386 2.831 ( 0.000 6.344 -0.492) 6.363 3.026 ( -0.000 0.001 -5.334) 5.334 3.376 ( 0.000 1.938 -1.940) 2.742 3.812 ( 0.000 -4.339 -13.143) 13.841 4.527 ( 0.000 2.511 2.383) 3.462 4.853 ( 0.000 -7.032 -13.602) 15.312 5.598 ( 0.000 2.156 -21.918) 22.023 5.724 ( 0.000 1.854 -4.961) 5.296 6.157 ( -0.000 4.521 -14.420) 15.112 6.241 ( -0.000 1.780 -31.111) 31.162 8.024 ( 0.000 2.770 2.284) 3.590 8.139 ( 0.000 -0.258 -0.599) 0.653 9.724 ( -0.000 0.355 0.442) 0.567 9.924 ( -0.000 -2.592 -1.016) 2.784 10.143 ( 0.000 4.021 13.678) 14.256 10.836 ( -0.000 -12.049 2.534) 12.312 10.849 ( -0.000 -0.304 0.640) 0.708 11.061 ( 0.000 -2.681 -7.829) 8.276 11.684 ( -0.000 4.510 3.815) 5.907 11.744 ( 0.000 3.476 2.804) 4.466 22.086 ( -0.000 0.765 1.403) 1.598 22.241 ( -0.000 -2.385 -1.748) 2.957 22.663 ( -0.000 0.861 -4.211) 4.298 22.745 ( -0.000 -0.050 -3.991) 3.991 23.048 ( -0.000 -1.157 0.884) 1.456 23.353 ( -0.000 -7.456 -7.749) 10.753 24.072 ( -0.000 4.116 4.669) 6.224 24.138 ( -0.000 2.597 3.689) 4.511 ======================= Grid point 417 (165/216) ======================= q-point: ( 0.64 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( 3.000 11.311 3.063) 12.096 1.027 ( 0.488 4.178 12.516) 13.204 1.208 ( -2.779 5.247 0.913) 6.007 1.501 ( 4.015 -4.194 0.841) 5.867 1.616 ( -0.947 2.039 2.447) 3.323 1.655 ( 1.609 -4.816 11.309) 12.396 1.757 ( 0.830 -8.957 0.496) 9.009 1.836 ( -1.315 3.971 5.463) 6.880 2.004 ( -2.679 7.478 1.098) 8.019 2.091 ( 1.677 -1.524 3.540) 4.203 2.271 ( -1.284 1.722 12.296) 12.482 2.386 ( -1.054 -2.128 -1.514) 2.817 2.549 ( 1.160 2.582 3.795) 4.735 2.798 ( 5.238 2.538 3.952) 7.035 2.879 ( -3.523 4.009 24.310) 24.889 3.136 ( -12.051 2.625 2.365) 12.559 3.376 ( -0.096 -0.022 -0.690) 0.697 3.644 ( 2.053 -5.260 -15.637) 16.625 4.528 ( 1.670 1.868 -1.000) 2.698 4.680 ( 1.488 -5.026 -19.250) 19.951 5.504 ( -2.210 3.666 -15.099) 15.694 5.643 ( 7.444 1.275 -3.160) 8.187 5.954 ( 4.690 -0.285 -23.071) 23.545 6.212 ( -10.209 5.096 -19.324) 22.441 8.029 ( 3.457 1.813 1.198) 4.083 8.140 ( -0.140 0.629 0.342) 0.729 9.750 ( -1.711 0.621 1.333) 2.256 9.909 ( -1.649 -2.271 -0.914) 2.952 10.279 ( -1.423 3.275 12.211) 12.722 10.750 ( 0.867 -10.039 1.868) 10.249 10.842 ( 0.537 -1.467 -1.181) 1.958 10.997 ( -1.320 -2.225 -6.886) 7.356 11.715 ( 3.581 3.712 3.428) 6.193 11.769 ( 2.319 2.622 2.664) 4.398 22.101 ( 0.022 0.527 1.227) 1.335 22.208 ( 0.123 -2.039 -1.324) 2.434 22.648 ( -0.748 1.190 -4.025) 4.264 22.700 ( 2.283 0.292 -3.772) 4.419 22.945 ( 6.952 -4.811 -2.156) 8.725 23.354 ( -9.528 -3.460 -3.583) 10.752 24.101 ( 4.013 3.515 4.460) 6.953 24.184 ( 0.247 2.140 2.083) 2.997 ======================= Grid point 418 (166/216) ======================= q-point: ( 0.73 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( 1.680 6.973 1.491) 7.326 1.094 ( 0.135 -0.626 4.898) 4.940 1.283 ( -0.650 2.500 0.805) 2.706 1.371 ( 8.052 -4.539 0.864) 9.284 1.631 ( 1.355 -7.244 6.896) 10.093 1.661 ( 5.088 3.116 5.670) 8.231 1.721 ( -1.770 -3.758 5.000) 6.500 1.951 ( -1.638 8.377 0.923) 8.586 1.996 ( 1.202 -2.977 0.824) 3.315 2.130 ( 0.181 2.092 -1.315) 2.477 2.338 ( -1.566 0.525 -1.592) 2.294 2.406 ( 0.071 2.363 4.732) 5.290 2.557 ( 2.816 3.359 4.460) 6.253 2.840 ( -1.191 1.116 9.958) 10.091 3.073 ( 1.787 0.829 16.550) 16.667 3.310 ( -4.506 -0.873 -9.828) 10.847 3.411 ( -2.416 -1.590 1.320) 3.179 3.555 ( -8.328 0.664 4.410) 9.448 4.453 ( -2.252 -4.454 -26.072) 26.545 4.542 ( 1.715 2.382 4.999) 5.797 5.398 ( 9.149 1.297 -11.178) 14.503 5.549 ( 0.249 3.466 -8.473) 9.158 5.747 ( 1.861 -3.515 -12.428) 13.049 6.315 ( -12.940 4.992 -14.760) 20.254 7.974 ( 4.733 0.589 0.026) 4.770 8.150 ( 0.791 1.242 1.179) 1.887 9.797 ( -2.012 0.460 1.591) 2.606 9.929 ( -3.166 -1.016 -0.374) 3.346 10.412 ( -2.132 2.403 10.317) 10.806 10.679 ( 0.745 -7.672 2.059) 7.978 10.792 ( 1.205 -1.929 -4.073) 4.665 10.967 ( -1.995 -1.394 -5.348) 5.875 11.683 ( 6.023 2.610 2.302) 6.956 11.753 ( 4.382 1.790 2.500) 5.353 22.102 ( 0.897 -0.262 0.316) 0.986 22.201 ( -1.654 -0.855 0.324) 1.890 22.588 ( 8.819 1.425 -2.252) 9.213 22.657 ( -2.174 0.809 -4.812) 5.342 22.830 ( -1.611 -6.015 -2.539) 6.725 23.481 ( -8.914 -0.021 0.249) 8.918 24.071 ( 6.471 2.778 3.113) 7.699 24.181 ( 2.319 0.204 0.100) 2.330 ======================= Grid point 419 (167/216) ======================= q-point: ( 0.82 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( 1.642 -0.971 2.444) 3.100 1.092 ( 0.233 -1.868 -2.488) 3.120 1.204 ( 4.511 -2.748 0.008) 5.282 1.311 ( -0.936 0.574 -1.327) 1.723 1.612 ( 3.347 -5.088 10.911) 12.496 1.666 ( 1.143 5.697 2.254) 6.233 1.737 ( 2.384 -0.719 3.202) 4.056 1.894 ( 4.757 -2.639 0.925) 5.517 2.023 ( 2.899 -0.229 -5.528) 6.246 2.157 ( -5.539 3.327 2.199) 6.825 2.378 ( -1.670 1.724 0.032) 2.400 2.404 ( 3.744 2.310 -0.187) 4.403 2.589 ( 3.350 3.563 6.423) 8.073 2.945 ( -0.533 0.449 9.798) 9.823 3.048 ( 9.055 2.389 2.536) 9.702 3.225 ( 1.353 -4.780 -8.425) 9.781 3.480 ( -4.641 -0.421 2.895) 5.486 3.787 ( -6.412 4.547 5.967) 9.869 4.336 ( -11.994 -4.386 -22.142) 25.561 4.651 ( -2.971 1.072 18.067) 18.342 5.145 ( 13.531 0.422 -6.600) 15.061 5.495 ( -8.542 0.429 -26.746) 28.080 5.673 ( 3.251 -1.701 5.423) 6.548 6.485 ( -14.269 3.495 -8.413) 16.929 7.902 ( 4.239 0.004 -0.309) 4.251 8.148 ( 1.702 1.031 1.115) 2.281 9.838 ( -1.669 0.007 1.043) 1.968 9.983 ( -3.642 0.437 0.414) 3.691 10.527 ( -1.076 1.343 8.293) 8.469 10.635 ( 0.880 -3.817 3.140) 5.020 10.727 ( -0.267 -2.773 -5.455) 6.125 10.952 ( -1.780 -0.587 -5.119) 5.451 11.605 ( 7.304 1.535 1.130) 7.548 11.697 ( 5.846 0.891 1.766) 6.172 22.080 ( 1.156 -0.600 -0.237) 1.324 22.250 ( -3.635 -0.015 1.710) 4.018 22.438 ( 8.490 0.635 -0.797) 8.550 22.674 ( -3.367 1.132 -5.079) 6.198 22.840 ( -5.564 -4.072 -1.121) 6.986 23.625 ( -5.862 2.364 3.844) 7.398 23.988 ( 7.914 2.372 0.157) 8.263 24.116 ( 3.768 -2.791 -1.556) 4.940 ======================= Grid point 420 (168/216) ======================= q-point: (-0.09 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( 2.946 -3.244 -0.415) 4.402 1.037 ( 1.965 -0.755 0.106) 2.108 1.228 ( -5.620 0.379 0.713) 5.678 1.330 ( -2.575 0.050 -2.750) 3.768 1.612 ( 2.217 -1.079 8.386) 8.741 1.685 ( 4.118 1.691 -1.479) 4.691 1.713 ( -0.362 1.002 1.019) 1.475 1.822 ( 4.890 -1.615 4.742) 7.000 1.914 ( 3.049 -1.366 -4.793) 5.843 2.266 ( -1.837 1.716 1.537) 2.946 2.332 ( 5.488 1.170 -0.365) 5.623 2.415 ( -0.846 0.466 0.642) 1.160 2.574 ( 5.436 2.016 2.773) 6.427 2.859 ( 11.963 -0.310 -3.012) 12.340 3.004 ( 5.969 1.634 5.104) 8.021 3.142 ( -2.680 -2.497 -4.812) 6.048 3.504 ( 2.064 -0.043 0.197) 2.073 3.890 ( -0.069 2.799 1.107) 3.011 4.472 ( -21.257 -1.936 -8.634) 23.026 4.776 ( 9.395 0.352 6.871) 11.644 5.009 ( -3.599 -0.818 9.338) 10.041 5.497 ( -14.294 -0.146 -20.587) 25.063 5.652 ( 2.946 -0.442 4.147) 5.106 6.687 ( -13.127 1.588 -2.620) 13.479 7.842 ( 2.794 -0.134 -0.227) 2.806 8.131 ( 1.845 0.522 0.625) 2.017 9.865 ( -1.019 -0.088 0.401) 1.099 10.046 ( -2.957 0.721 0.507) 3.086 10.532 ( 5.598 -0.200 3.478) 6.594 10.668 ( -2.615 0.448 1.676) 3.138 10.697 ( -2.851 -3.027 -0.964) 4.268 10.942 ( -1.778 0.034 -4.228) 4.587 11.500 ( 7.332 0.578 0.205) 7.357 11.612 ( 6.377 0.240 0.803) 6.432 22.061 ( 0.464 -0.362 -0.190) 0.619 22.278 ( 4.136 -0.102 0.050) 4.137 22.386 ( -3.611 0.816 2.045) 4.229 22.708 ( -3.870 0.857 -3.830) 5.512 22.910 ( -6.565 -2.077 -0.077) 6.886 23.745 ( 1.296 2.734 9.635) 10.099 23.876 ( 5.028 4.296 -6.489) 9.265 24.003 ( 3.766 -6.414 -2.118) 7.733 ======================= Grid point 428 (169/216) ======================= q-point: ( 0.64 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( -0.000 10.883 5.196) 12.059 0.995 ( 0.000 14.039 6.309) 15.391 1.190 ( -0.000 -0.450 5.311) 5.330 1.524 ( 0.000 1.785 -5.263) 5.557 1.601 ( -0.000 2.282 2.864) 3.662 1.788 ( -0.000 -0.829 9.984) 10.018 1.819 ( -0.000 -1.533 -2.275) 2.744 1.837 ( -0.000 -7.003 -0.237) 7.007 1.937 ( -0.000 4.275 7.031) 8.228 2.162 ( -0.000 1.156 5.421) 5.542 2.357 ( -0.000 -0.632 -5.235) 5.273 2.389 ( -0.000 -0.219 13.426) 13.428 2.562 ( -0.000 4.209 6.821) 8.015 2.909 ( -0.000 -2.419 7.755) 8.124 2.919 ( -0.000 -3.135 3.998) 5.081 3.083 ( -0.000 5.116 26.356) 26.848 3.401 ( 0.000 1.304 7.828) 7.936 3.581 ( -0.000 -5.184 -18.892) 19.591 4.494 ( -0.000 -1.064 -8.989) 9.052 4.603 ( -0.000 -5.273 -20.768) 21.427 5.325 ( -0.000 7.335 -12.901) 14.841 5.681 ( -0.000 3.055 -1.614) 3.455 5.809 ( -0.000 3.204 -26.653) 26.845 5.962 ( -0.000 2.300 -12.170) 12.386 8.055 ( 0.000 2.496 2.031) 3.218 8.127 ( -0.000 0.557 -1.126) 1.256 9.745 ( 0.000 0.500 2.397) 2.448 9.897 ( 0.000 -1.098 -2.738) 2.950 10.346 ( -0.000 1.304 14.162) 14.222 10.845 ( -0.000 -10.598 -3.003) 11.015 10.869 ( -0.000 -3.402 1.904) 3.899 10.952 ( -0.000 -2.449 -5.743) 6.243 11.733 ( -0.000 4.872 2.924) 5.682 11.775 ( -0.000 3.954 1.348) 4.178 22.111 ( -0.000 0.090 2.014) 2.016 22.213 ( 0.000 -1.903 -2.172) 2.888 22.619 ( 0.000 0.032 -1.783) 1.783 22.687 ( 0.000 -0.348 -3.857) 3.873 23.070 ( 0.000 -3.504 2.159) 4.116 23.250 ( -0.000 -7.470 -6.382) 9.825 24.129 ( 0.000 4.804 3.154) 5.747 24.173 ( 0.000 3.903 1.318) 4.119 ======================= Grid point 429 (170/216) ======================= q-point: ( 0.73 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( 4.973 10.532 1.744) 11.777 1.191 ( 1.205 3.965 9.956) 10.784 1.219 ( -2.606 3.295 0.495) 4.230 1.468 ( 2.688 0.023 -4.306) 5.076 1.682 ( -3.816 2.971 5.167) 7.077 1.720 ( 2.406 -7.740 0.296) 8.110 1.816 ( -0.139 -5.718 4.264) 7.134 1.880 ( -0.332 7.092 0.787) 7.143 2.031 ( -0.844 2.806 4.380) 5.269 2.170 ( 5.268 -0.431 6.417) 8.313 2.301 ( 0.867 0.273 -6.684) 6.745 2.425 ( 1.833 3.760 1.270) 4.372 2.628 ( 2.785 0.412 12.176) 12.498 2.880 ( -1.493 -3.630 5.691) 6.913 3.036 ( -10.631 -2.191 -1.908) 11.021 3.308 ( 4.401 1.244 8.909) 10.014 3.420 ( -2.875 -3.969 -3.212) 5.860 3.508 ( -2.878 2.224 16.774) 17.164 4.310 ( 3.386 -4.781 -25.913) 26.566 4.506 ( -5.873 -0.018 -6.706) 8.914 5.301 ( 2.700 6.093 -12.039) 13.761 5.593 ( 9.770 3.910 -7.952) 13.190 5.727 ( -3.507 -0.518 -2.198) 4.171 5.972 ( -9.477 4.011 -14.178) 17.519 8.042 ( 4.221 1.235 0.586) 4.437 8.143 ( -0.875 1.563 0.135) 1.796 9.781 ( -1.262 0.616 2.741) 3.080 9.885 ( -1.942 -0.611 -2.358) 3.115 10.456 ( -1.199 0.092 12.162) 12.221 10.744 ( -0.856 -8.677 -4.423) 9.777 10.819 ( 3.116 -2.221 -1.238) 4.022 10.921 ( -2.023 -2.892 -2.716) 4.453 11.753 ( 3.909 3.751 1.859) 5.727 11.798 ( 1.889 3.002 1.275) 3.769 22.121 ( 0.428 -0.324 1.442) 1.539 22.188 ( -0.687 -1.285 -1.377) 2.005 22.608 ( -0.014 0.151 -1.580) 1.587 22.651 ( 1.569 0.317 -2.797) 3.223 22.920 ( 8.076 -6.619 -1.232) 10.515 23.315 ( -11.897 -2.856 -1.787) 12.365 24.153 ( 3.879 3.682 2.644) 5.966 24.201 ( 1.364 3.037 0.433) 3.357 ======================= Grid point 430 (171/216) ======================= q-point: ( 0.82 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( 0.714 6.924 0.452) 6.975 1.144 ( 4.927 -4.262 1.759) 6.748 1.294 ( -0.202 1.561 0.574) 1.676 1.372 ( 7.332 -3.160 -0.238) 7.988 1.644 ( -1.227 -3.744 -0.260) 3.948 1.780 ( 3.159 -4.436 3.953) 6.729 1.816 ( 1.023 2.287 8.467) 8.830 1.921 ( -0.232 6.036 -4.874) 7.762 2.035 ( 2.539 -1.508 4.151) 5.094 2.095 ( 3.182 0.567 -3.372) 4.671 2.309 ( -4.085 2.443 -1.178) 4.903 2.433 ( 3.019 4.834 -0.037) 5.700 2.663 ( 3.837 3.573 6.508) 8.357 2.953 ( -5.550 -4.226 5.448) 8.851 3.135 ( 1.226 1.011 -4.340) 4.622 3.198 ( -2.635 -2.337 -7.360) 8.159 3.506 ( 0.487 -0.463 17.782) 17.795 3.705 ( -2.972 4.721 4.868) 7.404 4.086 ( -5.778 -7.027 -19.815) 21.804 4.660 ( -11.521 0.710 9.746) 15.107 5.161 ( 3.326 2.297 -18.499) 18.936 5.384 ( 12.246 1.332 -4.964) 13.281 5.767 ( 1.689 -0.915 5.070) 5.421 6.137 ( -16.585 5.338 -8.332) 19.312 7.974 ( 4.995 0.386 -0.009) 5.010 8.162 ( 0.596 1.634 0.415) 1.788 9.821 ( -1.421 0.046 1.232) 1.881 9.919 ( -3.612 0.651 -0.682) 3.733 10.559 ( -2.186 -1.028 9.710) 10.007 10.675 ( -2.272 -6.037 -4.716) 7.991 10.735 ( 4.000 -1.337 -1.890) 4.622 10.912 ( -1.404 -2.208 -1.931) 3.252 11.705 ( 6.330 2.660 0.762) 6.909 11.777 ( 4.226 1.881 0.847) 4.702 22.106 ( 1.296 -0.920 0.138) 1.595 22.206 ( -2.701 -0.190 0.238) 2.718 22.567 ( 8.424 1.485 -0.721) 8.584 22.607 ( -1.215 0.229 -1.876) 2.247 22.804 ( -2.222 -6.665 -0.949) 7.090 23.484 ( -10.849 0.395 0.065) 10.856 24.105 ( 6.980 2.166 1.380) 7.438 24.178 ( 3.581 0.944 -0.329) 3.718 ======================= Grid point 431 (172/216) ======================= q-point: ( 0.91 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( 3.686 -5.502 -0.000) 6.622 1.059 ( -2.440 1.839 0.000) 3.055 1.206 ( 5.980 -3.521 -0.000) 6.939 1.299 ( -0.448 -0.222 -0.000) 0.500 1.678 ( -1.815 2.697 0.000) 3.251 1.712 ( 3.917 -1.920 -0.000) 4.362 1.758 ( 6.197 -1.214 0.000) 6.315 1.924 ( 3.093 1.350 0.000) 3.375 1.953 ( 3.469 -3.561 -0.000) 4.971 2.173 ( -6.598 4.006 0.000) 7.719 2.381 ( -2.499 1.831 0.000) 3.098 2.400 ( 4.982 3.047 0.000) 5.840 2.645 ( 5.210 4.158 0.000) 6.666 3.020 ( 9.490 1.526 0.000) 9.612 3.049 ( -6.940 -3.140 -0.000) 7.618 3.149 ( 5.748 -1.774 0.000) 6.016 3.556 ( 3.453 0.719 0.000) 3.527 3.813 ( -5.189 6.929 0.000) 8.656 4.148 ( -17.480 -7.537 -0.000) 19.035 4.924 ( -3.364 0.948 -0.000) 3.495 5.023 ( 0.885 -0.165 0.000) 0.900 5.223 ( -0.468 -0.281 -0.000) 0.546 5.729 ( 3.875 -0.698 0.000) 3.938 6.416 ( -16.415 3.673 -0.000) 16.821 7.900 ( 4.317 -0.036 0.000) 4.318 8.156 ( 1.673 1.146 0.000) 2.028 9.847 ( -1.477 -0.165 -0.000) 1.487 9.986 ( -3.733 1.137 -0.000) 3.902 10.636 ( 3.751 0.095 0.000) 3.752 10.639 ( -2.777 -2.874 -0.000) 3.996 10.664 ( -2.009 -2.868 -0.000) 3.501 10.908 ( -1.056 -0.953 -0.000) 1.423 11.613 ( 7.566 1.575 0.000) 7.728 11.710 ( 5.866 0.880 0.000) 5.932 22.078 ( 1.190 -0.756 -0.000) 1.410 22.264 ( -4.053 0.163 -0.000) 4.056 22.433 ( 7.998 0.813 0.000) 8.039 22.635 ( -2.711 0.766 -0.000) 2.817 22.832 ( -6.043 -4.203 -0.000) 7.361 23.654 ( -8.283 3.399 -0.000) 8.953 23.990 ( 9.350 0.766 0.000) 9.382 24.103 ( 4.862 -2.080 0.000) 5.288 ======================= Grid point 441 (173/216) ======================= q-point: ( 0.73 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( -0.000 11.019 4.033) 11.733 1.029 ( 0.000 12.485 -1.021) 12.527 1.297 ( 0.000 0.735 9.016) 9.046 1.426 ( 0.000 2.127 -8.220) 8.491 1.672 ( -0.000 3.764 6.103) 7.171 1.758 ( -0.000 3.423 -5.323) 6.329 1.839 ( -0.000 -4.675 0.510) 4.703 1.845 ( 0.000 -2.476 0.217) 2.486 2.088 ( 0.000 -0.175 11.744) 11.745 2.241 ( 0.000 -1.952 -5.739) 6.061 2.260 ( -0.000 6.076 3.473) 6.998 2.369 ( 0.000 6.748 -7.564) 10.136 2.854 ( 0.000 -8.143 21.556) 23.042 2.926 ( 0.000 -7.785 0.417) 7.796 2.974 ( 0.000 -3.453 5.152) 6.202 3.265 ( -0.000 -4.389 -23.852) 24.252 3.513 ( 0.000 3.022 24.929) 25.111 3.596 ( 0.000 2.196 13.440) 13.618 4.275 ( 0.000 -3.759 -16.110) 16.543 4.293 ( 0.000 -4.159 -18.505) 18.967 5.277 ( -0.000 10.119 5.734) 11.631 5.457 ( 0.000 8.879 -18.406) 20.436 5.721 ( 0.000 0.073 4.100) 4.100 5.812 ( 0.000 0.854 -8.414) 8.457 8.083 ( -0.000 1.983 1.821) 2.692 8.108 ( -0.000 1.317 -1.544) 2.030 9.790 ( 0.000 0.501 3.763) 3.796 9.847 ( 0.000 0.039 -3.903) 3.903 10.546 ( 0.000 -1.375 13.425) 13.495 10.728 ( 0.000 -4.404 -11.363) 12.187 10.897 ( 0.000 -5.652 1.753) 5.917 10.916 ( 0.000 -6.194 -1.011) 6.276 11.767 ( 0.000 4.785 1.742) 5.093 11.782 ( -0.000 4.425 -0.283) 4.434 22.143 ( 0.000 -0.597 2.423) 2.495 22.179 ( 0.000 -1.271 -2.462) 2.771 22.612 ( -0.000 -0.502 0.747) 0.900 22.638 ( 0.000 -0.577 -2.743) 2.803 23.110 ( 0.000 -5.400 3.397) 6.380 23.169 ( 0.000 -6.762 -4.840) 8.315 24.164 ( -0.000 5.042 1.751) 5.337 24.180 ( 0.000 4.755 -0.367) 4.770 ======================= Grid point 442 (174/216) ======================= q-point: ( 0.82 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( 5.869 10.262 0.000) 11.822 1.219 ( -4.650 4.757 0.000) 6.652 1.289 ( 5.355 -0.188 0.000) 5.358 1.413 ( -0.129 3.248 0.000) 3.250 1.712 ( 1.203 -9.813 -0.000) 9.886 1.737 ( -3.347 5.755 0.000) 6.658 1.845 ( -0.463 -2.819 -0.000) 2.857 1.871 ( -1.454 6.112 0.000) 6.283 2.101 ( 4.019 -0.677 0.000) 4.075 2.216 ( -3.466 1.061 -0.000) 3.625 2.237 ( 9.995 0.531 0.000) 10.009 2.405 ( -0.262 7.604 0.000) 7.609 2.758 ( 5.282 -4.360 -0.000) 6.849 2.976 ( 1.530 -4.119 -0.000) 4.394 3.000 ( -11.608 -6.329 -0.000) 13.221 3.162 ( -2.539 -1.944 -0.000) 3.198 3.624 ( 2.161 2.234 0.000) 3.108 3.683 ( -0.847 3.128 0.000) 3.241 4.029 ( 4.374 -6.303 -0.000) 7.672 4.428 ( -16.928 -1.372 -0.000) 16.984 5.204 ( 12.128 6.590 0.000) 13.802 5.516 ( 5.386 5.087 0.000) 7.408 5.799 ( -12.496 4.093 -0.000) 13.149 5.804 ( -1.163 -0.310 -0.000) 1.204 8.046 ( 4.536 0.978 0.000) 4.640 8.144 ( -1.197 1.932 0.000) 2.272 9.813 ( -0.264 0.069 -0.000) 0.273 9.856 ( -2.879 0.662 -0.000) 2.954 10.622 ( -1.097 -3.297 -0.000) 3.474 10.626 ( -1.301 -3.616 -0.000) 3.843 10.815 ( 3.618 -3.754 -0.000) 5.214 10.907 ( -2.077 -4.316 -0.000) 4.789 11.767 ( 4.148 3.724 0.000) 5.574 11.807 ( 1.629 3.174 0.000) 3.567 22.135 ( 1.174 -1.082 -0.000) 1.597 22.175 ( -1.603 -0.524 -0.000) 1.687 22.598 ( 0.612 -0.581 -0.000) 0.844 22.628 ( 0.931 0.586 0.000) 1.100 22.911 ( 8.508 -7.206 -0.000) 11.149 23.302 ( -12.683 -2.641 -0.000) 12.955 24.174 ( 3.831 3.563 0.000) 5.232 24.202 ( 1.709 3.544 0.000) 3.934 ======================= Grid point 461 (175/216) ======================= q-point: ( 0.36 0.64 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( 2.162 -0.000 -1.455) 2.606 0.977 ( -6.777 -0.000 -1.553) 6.953 1.288 ( -4.161 0.000 2.894) 5.069 1.338 ( 4.638 -0.000 -0.986) 4.742 1.476 ( -5.116 -0.000 10.047) 11.274 1.552 ( -3.700 -0.000 -0.972) 3.825 1.585 ( 0.838 0.000 -1.987) 2.156 1.798 ( -0.020 -0.000 4.104) 4.104 2.040 ( -2.082 -0.000 -7.025) 7.328 2.077 ( 5.076 0.000 2.060) 5.478 2.297 ( 3.300 -0.000 -1.673) 3.700 2.357 ( -0.673 -0.000 -3.416) 3.482 2.496 ( 4.073 -0.000 8.599) 9.515 2.691 ( 1.716 0.000 -3.822) 4.190 2.774 ( -8.869 0.000 -1.698) 9.030 3.218 ( -1.943 -0.000 -11.894) 12.052 3.629 ( 3.071 -0.000 2.632) 4.044 3.719 ( 2.912 -0.000 -3.075) 4.235 4.453 ( -3.238 0.000 4.739) 5.739 4.895 ( -2.199 -0.000 -13.171) 13.353 5.323 ( 12.133 -0.000 20.622) 23.926 5.602 ( 0.283 0.000 12.521) 12.525 6.368 ( 6.509 0.000 1.657) 6.717 6.622 ( 9.140 -0.000 -13.528) 16.326 7.886 ( 0.975 0.000 2.795) 2.960 8.012 ( 0.779 0.000 -2.600) 2.715 9.865 ( -0.545 0.000 0.420) 0.688 9.969 ( -0.623 -0.000 -3.585) 3.639 10.442 ( 0.193 0.000 6.216) 6.219 10.551 ( -6.771 -0.000 1.264) 6.888 10.959 ( -1.811 0.000 2.471) 3.063 11.108 ( 1.002 -0.000 -3.673) 3.807 11.401 ( 1.575 0.000 -0.304) 1.604 11.417 ( 1.923 -0.000 -1.362) 2.357 22.108 ( -0.865 0.000 1.750) 1.952 22.227 ( -2.043 0.000 -3.855) 4.363 22.316 ( 4.874 -0.000 5.921) 7.669 22.705 ( 5.042 0.000 -10.465) 11.616 23.180 ( -3.465 -0.000 6.348) 7.233 23.326 ( -1.550 0.000 -1.982) 2.516 24.002 ( 2.511 0.000 4.335) 5.010 24.158 ( -0.858 -0.000 -1.070) 1.372 ======================= Grid point 473 (176/216) ======================= q-point: ( 0.36 -0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( -4.525 -0.342 -2.998) 5.439 0.916 ( 1.347 -0.177 -6.550) 6.690 1.297 ( 1.207 0.878 7.373) 7.523 1.419 ( 2.775 1.981 0.098) 3.411 1.463 ( -3.407 1.073 5.361) 6.442 1.501 ( -0.575 2.380 2.307) 3.365 1.597 ( 0.040 -4.445 -1.743) 4.775 1.774 ( -2.975 -2.376 -7.012) 7.979 1.977 ( -0.792 1.222 0.934) 1.730 2.112 ( 1.338 3.138 -3.560) 4.931 2.273 ( -4.137 1.050 -3.114) 5.284 2.336 ( -1.365 -3.658 -1.730) 4.271 2.593 ( 0.051 1.909 0.812) 2.075 2.648 ( -3.329 2.549 -3.430) 5.417 2.709 ( 0.946 -0.626 10.349) 10.411 3.097 ( -1.184 -1.007 -13.427) 13.517 3.698 ( 3.097 0.035 2.999) 4.311 3.747 ( 2.586 0.398 -0.588) 2.682 4.461 ( -0.371 2.146 6.269) 6.636 4.788 ( -0.724 -3.549 -11.785) 12.329 5.634 ( 9.714 0.245 15.594) 18.374 5.709 ( 2.372 -0.095 10.992) 11.246 6.468 ( 8.371 8.035 1.858) 11.751 6.721 ( 8.128 -6.846 -5.076) 11.777 7.924 ( 1.744 1.164 2.401) 3.188 8.015 ( 1.439 -0.975 -2.268) 2.858 9.858 ( -1.124 0.193 1.137) 1.611 9.933 ( -1.308 -1.005 -2.944) 3.375 10.396 ( -5.639 6.452 1.163) 8.647 10.507 ( -4.112 -7.155 1.910) 8.471 10.971 ( 0.746 1.437 3.825) 4.154 11.104 ( 1.297 -0.802 -3.188) 3.534 11.428 ( 2.667 0.661 -1.190) 2.994 11.443 ( 3.409 0.211 -2.258) 4.094 22.113 ( -0.048 0.437 1.549) 1.611 22.173 ( -1.174 0.021 -2.375) 2.649 22.478 ( 8.322 -0.727 7.358) 11.132 22.725 ( 5.735 -0.714 -8.538) 10.310 23.157 ( -3.913 1.832 5.869) 7.288 23.301 ( -0.550 -2.551 -2.970) 3.954 24.026 ( 1.013 6.527 1.614) 6.799 24.150 ( -1.783 -4.559 -0.601) 4.932 ======================= Grid point 474 (177/216) ======================= q-point: ( 0.45 -0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( -4.678 -0.000 1.069) 4.798 0.942 ( -8.056 -0.000 -2.699) 8.496 1.327 ( 0.332 -0.000 1.919) 1.947 1.337 ( 3.505 0.000 0.247) 3.514 1.546 ( -2.033 -0.000 0.313) 2.056 1.559 ( -0.527 -0.000 -1.484) 1.574 1.639 ( -6.967 0.000 11.820) 13.720 1.793 ( -6.608 -0.000 -7.361) 9.892 1.992 ( 1.922 -0.000 2.783) 3.383 2.060 ( 3.291 -0.000 -4.164) 5.307 2.290 ( 1.329 -0.000 0.726) 1.514 2.313 ( 0.165 -0.000 -2.385) 2.391 2.593 ( 2.835 -0.000 4.112) 4.995 2.640 ( 1.935 -0.000 -3.240) 3.774 2.829 ( -5.294 -0.000 9.839) 11.173 3.017 ( -3.111 -0.000 -14.651) 14.977 3.660 ( 3.729 -0.000 1.819) 4.149 3.685 ( 3.872 -0.000 -1.829) 4.282 4.554 ( -2.808 -0.000 9.010) 9.438 4.708 ( -2.388 -0.000 -12.084) 12.317 5.605 ( 8.734 -0.000 16.130) 18.342 5.719 ( 3.162 -0.000 1.412) 3.463 6.370 ( 11.213 -0.000 0.304) 11.217 6.437 ( 13.399 0.000 -10.035) 16.740 7.929 ( 0.939 -0.000 3.020) 3.162 7.972 ( 0.862 -0.000 -2.875) 3.002 9.881 ( -0.389 -0.000 1.889) 1.929 9.919 ( -0.412 -0.000 -3.195) 3.222 10.529 ( -3.653 -0.000 4.865) 6.083 10.565 ( -6.497 -0.000 -0.183) 6.500 10.991 ( 0.151 -0.000 2.478) 2.482 11.043 ( 1.740 -0.000 -4.628) 4.944 11.399 ( 0.707 0.000 0.119) 0.717 11.404 ( 0.700 -0.000 -0.581) 0.910 22.138 ( -1.151 -0.000 2.347) 2.614 22.177 ( -1.603 -0.000 -3.063) 3.457 22.420 ( 5.575 -0.000 8.372) 10.059 22.555 ( 5.759 -0.000 -10.081) 11.610 23.255 ( -2.720 0.000 3.969) 4.811 23.298 ( -2.208 -0.000 -2.212) 3.126 24.066 ( 1.070 -0.000 4.440) 4.567 24.124 ( -0.094 0.000 -3.402) 3.403 ======================= Grid point 486 (178/216) ======================= q-point: ( 0.36 -0.18 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( -3.552 0.514 0.481) 3.621 0.876 ( -0.136 -0.382 -6.636) 6.649 1.306 ( -7.869 8.419 -0.271) 11.527 1.385 ( 2.752 0.846 7.506) 8.039 1.467 ( -3.213 4.637 4.436) 7.177 1.496 ( 3.103 1.205 -4.016) 5.216 1.640 ( -0.188 -8.675 -0.305) 8.682 1.692 ( -2.738 -3.304 -6.988) 8.200 2.000 ( 0.982 0.330 2.832) 3.015 2.052 ( -0.512 4.220 -3.794) 5.698 2.134 ( -8.094 -0.374 -2.718) 8.546 2.320 ( -3.375 -3.213 -0.912) 4.748 2.467 ( -6.460 9.360 -2.543) 11.654 2.576 ( -1.716 2.082 -0.175) 2.704 2.861 ( 4.783 -0.936 10.450) 11.531 3.023 ( 1.199 -1.438 -9.941) 10.116 3.737 ( 0.201 2.223 1.610) 2.752 3.814 ( 5.336 -1.467 1.170) 5.656 4.465 ( 0.894 6.205 2.182) 6.638 4.790 ( 2.018 -9.439 -4.652) 10.714 5.827 ( 3.823 -0.110 7.300) 8.241 5.846 ( 7.159 -0.971 5.260) 8.936 6.542 ( 9.688 11.546 1.425) 15.140 6.885 ( 5.668 -7.596 1.307) 9.567 7.948 ( 1.738 2.720 0.591) 3.282 8.042 ( 1.684 -2.146 -0.795) 2.842 9.836 ( -1.823 1.114 0.603) 2.220 9.909 ( -1.502 -2.531 -1.176) 3.169 10.239 ( -6.945 7.368 -0.249) 10.128 10.519 ( -3.653 -9.512 0.117) 10.190 10.988 ( 0.441 3.684 2.496) 4.471 11.127 ( 1.641 -3.165 -0.919) 3.682 11.452 ( 3.656 2.834 -1.545) 4.877 11.498 ( 5.050 0.018 -1.411) 5.243 22.110 ( -0.210 1.650 0.298) 1.690 22.167 ( 0.963 -1.314 -0.446) 1.689 22.674 ( 8.218 -0.289 6.492) 10.477 22.773 ( 5.706 -0.999 -5.402) 7.921 23.119 ( -2.216 3.727 4.177) 6.020 23.312 ( 1.028 -5.094 -2.976) 5.988 23.975 ( -0.636 6.577 -0.169) 6.610 24.142 ( -3.292 -3.255 -0.363) 4.644 ======================= Grid point 487 (179/216) ======================= q-point: ( 0.45 -0.18 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( -2.512 0.535 -0.000) 2.568 0.859 ( -2.717 -1.340 -0.000) 3.029 1.369 ( 4.961 2.961 0.000) 5.777 1.413 ( 2.986 -1.409 -0.000) 3.302 1.472 ( -3.310 6.462 0.000) 7.260 1.568 ( -0.652 -1.088 -0.000) 1.268 1.617 ( -6.411 -2.867 -0.000) 7.023 1.655 ( -2.497 -3.920 -0.000) 4.648 2.034 ( 0.073 1.932 0.000) 1.933 2.039 ( 0.029 0.773 0.000) 0.773 2.251 ( -4.201 3.199 0.000) 5.280 2.324 ( -1.574 -4.774 -0.000) 5.027 2.602 ( -3.913 3.582 0.000) 5.305 2.614 ( -0.825 1.751 0.000) 1.935 2.871 ( 1.783 1.879 0.000) 2.590 2.920 ( 0.264 -3.875 -0.000) 3.884 3.730 ( 2.645 0.330 0.000) 2.665 3.733 ( 4.400 0.035 0.000) 4.400 4.538 ( -1.343 7.142 0.000) 7.267 4.668 ( 0.430 -8.699 -0.000) 8.709 5.770 ( 5.323 0.669 0.000) 5.364 5.785 ( 4.367 -1.194 0.000) 4.527 6.471 ( 12.084 13.634 0.000) 18.219 6.678 ( 10.187 -11.742 -0.000) 15.545 7.949 ( 1.496 2.792 0.000) 3.167 7.992 ( 1.564 -2.579 -0.000) 3.016 9.874 ( -1.184 1.325 0.000) 1.777 9.902 ( -0.913 -2.189 -0.000) 2.372 10.407 ( -6.699 6.831 0.000) 9.567 10.524 ( -5.268 -7.629 -0.000) 9.271 11.016 ( 1.168 3.145 0.000) 3.355 11.060 ( 2.712 -2.191 -0.000) 3.487 11.420 ( 1.751 0.787 0.000) 1.919 11.426 ( 3.128 0.024 0.000) 3.128 22.132 ( -0.918 1.143 0.000) 1.466 22.147 ( 0.000 -0.648 -0.000) 0.648 22.596 ( 7.124 -0.586 0.000) 7.148 22.598 ( 8.289 -0.880 0.000) 8.335 23.209 ( -2.982 3.563 0.000) 4.646 23.273 ( -1.896 -4.357 -0.000) 4.752 24.040 ( -0.216 7.328 0.000) 7.331 24.143 ( -1.184 -5.247 -0.000) 5.379 ======================= Grid point 498 (180/216) ======================= q-point: ( 0.36 -0.09 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.682 ( -10.036 3.166 -0.000) 10.524 0.852 ( -0.866 -1.991 -0.000) 2.171 1.046 ( -14.513 9.992 0.000) 17.620 1.387 ( -2.489 6.253 0.000) 6.730 1.440 ( -3.912 5.013 0.000) 6.359 1.486 ( 5.067 -0.797 0.000) 5.129 1.674 ( 1.197 -2.619 -0.000) 2.880 1.718 ( -0.320 -10.875 -0.000) 10.879 1.917 ( -4.131 13.174 0.000) 13.806 1.986 ( -2.748 -1.779 -0.000) 3.274 2.114 ( -2.882 -7.652 -0.000) 8.176 2.267 ( -3.546 1.981 0.000) 4.062 2.275 ( -3.287 11.788 0.000) 12.238 2.537 ( -1.418 0.698 0.000) 1.581 3.000 ( 0.514 -1.300 -0.000) 1.398 3.006 ( 6.764 0.419 0.000) 6.777 3.698 ( -2.631 4.485 0.000) 5.200 3.928 ( 5.682 -2.779 -0.000) 6.325 4.437 ( 1.435 6.111 0.000) 6.277 4.906 ( 3.106 -10.759 -0.000) 11.199 5.900 ( 2.543 1.098 0.000) 2.770 5.990 ( 6.944 -2.473 0.000) 7.372 6.603 ( 8.273 11.005 0.000) 13.768 7.012 ( 2.762 -4.927 -0.000) 5.648 7.950 ( 1.450 3.032 0.000) 3.361 8.083 ( 1.443 -2.230 -0.000) 2.656 9.795 ( -1.822 1.725 0.000) 2.509 9.906 ( -1.420 -3.210 -0.000) 3.510 10.065 ( -6.858 7.625 0.000) 10.256 10.557 ( -2.090 -11.460 -0.000) 11.649 10.964 ( -0.283 4.052 0.000) 4.062 11.179 ( 0.869 -4.276 -0.000) 4.363 11.484 ( 4.832 4.231 0.000) 6.422 11.572 ( 4.815 0.593 0.000) 4.852 22.093 ( -0.034 2.053 0.000) 2.054 22.203 ( 1.695 -2.123 -0.000) 2.716 22.792 ( 4.282 0.821 0.000) 4.360 22.837 ( 2.224 -0.867 0.000) 2.387 23.103 ( 2.911 4.812 0.000) 5.624 23.389 ( 4.534 -6.308 -0.000) 7.769 23.912 ( -1.085 5.094 0.000) 5.208 24.087 ( -5.724 -1.496 -0.000) 5.916 ======================= Grid point 509 (181/216) ======================= q-point: ( 0.36 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.378 ( -0.000 5.596 -0.000) 5.596 0.536 ( -0.000 3.788 -0.000) 3.788 0.901 ( -0.000 7.651 -0.000) 7.651 1.342 ( -0.000 8.719 -0.000) 8.719 1.350 ( -0.000 6.891 -0.000) 6.891 1.642 ( 0.000 -16.152 0.000) 16.152 1.651 ( -0.000 1.289 -0.000) 1.289 1.752 ( 0.000 -1.489 0.000) 1.489 1.896 ( 0.000 -4.804 0.000) 4.804 1.919 ( 0.000 -6.844 0.000) 6.844 1.927 ( -0.000 20.455 -0.000) 20.455 2.230 ( -0.000 10.115 -0.000) 10.115 2.281 ( -0.000 3.787 -0.000) 3.787 2.500 ( 0.000 -2.946 0.000) 2.946 3.006 ( 0.000 -0.405 0.000) 0.405 3.162 ( 0.000 -6.149 0.000) 6.149 3.623 ( -0.000 11.340 -0.000) 11.340 4.025 ( 0.000 -4.481 0.000) 4.481 4.471 ( -0.000 6.661 -0.000) 6.661 4.966 ( 0.000 -11.304 0.000) 11.304 5.949 ( -0.000 3.334 -0.000) 3.334 6.118 ( 0.000 -3.390 0.000) 3.390 6.738 ( -0.000 9.236 -0.000) 9.236 7.051 ( 0.000 -3.213 0.000) 3.213 7.978 ( -0.000 2.691 -0.000) 2.691 8.108 ( 0.000 -2.389 0.000) 2.389 9.769 ( -0.000 0.977 -0.000) 0.977 9.878 ( 0.000 -3.347 0.000) 3.347 9.934 ( -0.000 10.551 -0.000) 10.551 10.524 ( 0.000 -13.036 0.000) 13.036 10.956 ( -0.000 4.068 -0.000) 4.068 11.184 ( 0.000 -4.721 0.000) 4.721 11.585 ( -0.000 2.679 -0.000) 2.679 11.658 ( -0.000 0.600 -0.000) 0.600 22.095 ( -0.000 2.441 -0.000) 2.441 22.235 ( 0.000 -3.033 0.000) 3.033 22.833 ( -0.000 0.759 -0.000) 0.759 22.851 ( -0.000 0.092 -0.000) 0.092 23.209 ( -0.000 5.946 -0.000) 5.946 23.554 ( 0.000 -7.459 0.000) 7.459 23.878 ( -0.000 2.437 -0.000) 2.437 23.922 ( -0.000 0.822 -0.000) 0.822 ======================= Grid point 510 (182/216) ======================= q-point: ( 0.45 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.544 ( -9.802 4.658 3.046) 11.272 0.745 ( -12.948 -3.398 12.934) 18.614 1.007 ( -3.508 13.583 1.108) 14.072 1.396 ( -0.920 3.210 -1.828) 3.807 1.428 ( -0.931 5.049 -1.228) 5.278 1.519 ( -0.189 -8.180 2.135) 8.457 1.650 ( 1.160 -1.958 1.262) 2.602 1.693 ( 3.090 -2.959 0.376) 4.295 1.903 ( -4.943 -3.634 0.570) 6.161 1.915 ( -4.300 -3.449 2.244) 5.952 2.096 ( 0.411 10.966 1.784) 11.118 2.278 ( -0.294 5.000 0.652) 5.051 2.330 ( 0.409 6.166 1.573) 6.376 2.506 ( -2.667 -1.146 1.636) 3.332 2.987 ( 1.734 -0.828 -3.196) 3.730 3.084 ( 2.458 -4.006 1.188) 4.848 3.713 ( -1.031 8.718 -2.270) 9.067 3.954 ( 2.645 -5.383 -2.267) 6.411 4.523 ( 1.610 7.997 0.802) 8.197 4.857 ( 1.512 -11.044 -0.091) 11.148 5.944 ( 2.700 2.624 -3.662) 5.252 6.042 ( 3.995 -3.013 -3.919) 6.356 6.760 ( 3.714 8.787 -5.357) 10.941 6.986 ( 1.154 -4.470 -6.104) 7.653 7.997 ( 1.006 2.794 0.918) 3.109 8.084 ( 0.758 -2.405 0.595) 2.591 9.784 ( -1.010 1.481 -0.682) 1.918 9.860 ( -1.143 -3.028 -0.182) 3.242 10.060 ( -3.489 10.393 2.097) 11.162 10.436 ( -1.397 -12.385 1.382) 12.540 10.988 ( -0.191 4.328 -1.406) 4.555 11.141 ( -0.134 -4.741 -1.293) 4.916 11.587 ( 3.160 2.787 1.929) 4.634 11.642 ( 2.862 -0.272 1.647) 3.314 22.113 ( 0.211 2.501 -0.067) 2.511 22.202 ( 0.833 -2.839 -0.239) 2.969 22.837 ( 1.137 0.281 -1.279) 1.734 22.841 ( -0.091 0.337 -0.780) 0.855 23.195 ( 5.362 5.153 -5.798) 9.430 23.433 ( 4.698 -6.056 0.239) 7.668 23.920 ( -1.691 2.633 1.421) 3.437 23.996 ( -5.090 -0.634 3.830) 6.401 ======================= Grid point 511 (183/216) ======================= q-point: ( 0.55 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( -6.689 1.788 4.091) 8.043 0.930 ( -2.169 -0.700 12.188) 12.399 1.228 ( -7.883 7.895 -0.531) 11.169 1.358 ( 1.861 -1.797 -6.693) 7.175 1.438 ( -2.911 2.746 -1.545) 4.290 1.533 ( -2.283 -4.907 -0.203) 5.416 1.623 ( 4.178 0.750 4.264) 6.017 1.689 ( -1.950 -1.704 6.894) 7.365 1.967 ( -2.782 -2.690 1.002) 3.997 2.012 ( -8.351 -1.763 4.761) 9.773 2.135 ( 1.028 6.508 0.727) 6.628 2.287 ( 1.743 -2.377 4.614) 5.475 2.458 ( -6.499 6.558 1.934) 9.434 2.567 ( -1.593 0.582 3.876) 4.231 2.865 ( 5.786 -1.193 -8.810) 10.607 3.083 ( -0.516 -1.114 6.030) 6.154 3.751 ( 0.491 5.422 -4.234) 6.897 3.839 ( 3.073 -4.671 -4.042) 6.899 4.535 ( 3.897 5.228 -2.448) 6.965 4.781 ( -0.108 -6.651 5.571) 8.676 5.838 ( 5.546 0.630 -10.414) 11.815 5.903 ( 6.588 -1.021 -7.163) 9.786 6.688 ( 5.363 5.995 -11.448) 13.991 6.879 ( 1.960 -3.848 -4.889) 6.523 7.994 ( 2.284 1.722 -0.483) 2.901 8.061 ( 1.131 -1.413 2.035) 2.724 9.809 ( -1.599 0.814 -1.390) 2.269 9.870 ( -2.341 -1.664 1.021) 3.049 10.223 ( -4.437 9.409 2.321) 10.659 10.390 ( -2.976 -10.489 2.043) 11.093 11.000 ( 0.637 3.016 -3.916) 4.984 11.104 ( -0.835 -3.126 -0.753) 3.322 11.561 ( 4.752 1.975 2.860) 5.888 11.593 ( 4.758 -0.550 3.388) 5.867 22.125 ( 0.537 1.954 -0.410) 2.068 22.167 ( 0.575 -2.034 0.124) 2.117 22.764 ( 7.000 0.317 -4.028) 8.082 22.835 ( 0.668 -0.280 0.108) 0.732 23.082 ( 1.772 1.605 -10.067) 10.347 23.363 ( 3.584 -2.190 5.951) 7.284 23.992 ( -3.130 3.200 0.862) 4.559 24.076 ( -2.519 -2.003 2.962) 4.374 ======================= Grid point 512 (184/216) ======================= q-point: ( 0.64 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( -2.073 0.000 5.710) 6.075 1.013 ( 1.679 0.000 10.859) 10.988 1.254 ( 2.102 -0.000 -9.267) 9.503 1.330 ( -6.142 -0.000 -4.742) 7.760 1.457 ( 0.866 -0.000 -4.460) 4.543 1.578 ( 6.336 0.000 2.817) 6.934 1.579 ( -3.815 0.000 4.264) 5.722 1.775 ( -2.214 0.000 7.482) 7.803 1.971 ( -0.163 0.000 0.809) 0.825 2.155 ( -1.432 0.000 4.452) 4.676 2.210 ( -6.875 0.000 3.416) 7.677 2.310 ( -1.759 0.000 4.554) 4.882 2.609 ( 0.179 0.000 3.848) 3.852 2.615 ( -6.127 0.000 4.743) 7.749 2.689 ( 6.046 -0.000 -10.060) 11.737 3.156 ( -2.022 0.000 9.853) 10.059 3.713 ( 2.362 -0.000 -5.160) 5.675 3.763 ( 0.329 -0.000 -3.343) 3.359 4.460 ( 3.823 -0.000 -3.871) 5.440 4.834 ( -2.013 0.000 9.291) 9.507 5.664 ( 4.553 -0.000 -14.177) 14.890 5.690 ( 10.459 -0.000 -13.818) 17.329 6.537 ( 4.305 -0.000 -13.395) 14.069 6.810 ( 2.589 0.000 -0.093) 2.590 7.948 ( 2.776 -0.000 -1.935) 3.384 8.054 ( 1.485 0.000 2.724) 3.102 9.828 ( -1.663 -0.000 -1.051) 1.967 9.917 ( -2.612 0.000 2.081) 3.340 10.366 ( -4.597 0.000 1.486) 4.831 10.392 ( -2.915 0.000 1.357) 3.215 10.959 ( 1.106 -0.000 -5.190) 5.306 11.109 ( -1.185 -0.000 -0.145) 1.194 11.510 ( 4.959 0.000 2.679) 5.637 11.539 ( 5.280 0.000 4.386) 6.864 22.113 ( 0.918 -0.000 -1.163) 1.481 22.169 ( -0.923 0.000 1.463) 1.730 22.577 ( 10.285 -0.000 -5.979) 11.897 22.825 ( 1.472 0.000 2.630) 3.014 23.047 ( -3.911 -0.000 -8.614) 9.460 23.348 ( 3.069 0.000 6.518) 7.204 24.075 ( -4.011 -0.000 0.079) 4.012 24.078 ( 1.650 0.000 0.463) 1.714 ======================= Grid point 522 (185/216) ======================= q-point: ( 0.45 0.09 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.517 ( 0.000 5.305 15.983) 16.841 0.704 ( 0.000 4.491 18.973) 19.497 0.938 ( 0.000 4.676 5.516) 7.231 1.319 ( -0.000 7.954 -3.546) 8.708 1.392 ( 0.000 6.394 6.828) 9.355 1.643 ( 0.000 -15.398 0.220) 15.400 1.655 ( 0.000 2.148 0.625) 2.237 1.728 ( -0.000 -2.551 -3.955) 4.706 1.908 ( 0.000 -4.709 1.432) 4.922 1.933 ( 0.000 -1.589 4.780) 5.037 2.014 ( 0.000 13.889 9.403) 16.773 2.194 ( -0.000 7.257 -2.775) 7.770 2.333 ( 0.000 6.775 5.175) 8.526 2.509 ( 0.000 -2.018 1.282) 2.391 2.992 ( -0.000 0.166 -1.901) 1.908 3.141 ( -0.000 -5.633 -2.984) 6.375 3.596 ( -0.000 10.362 -3.767) 11.025 3.993 ( -0.000 -4.731 -4.511) 6.537 4.492 ( 0.000 6.338 2.781) 6.921 4.943 ( -0.000 -10.256 -3.075) 10.707 5.916 ( -0.000 2.590 -4.456) 5.154 6.055 ( -0.000 -2.886 -8.600) 9.071 6.666 ( -0.000 8.514 -9.685) 12.895 6.944 ( -0.000 -2.661 -14.338) 14.583 7.996 ( 0.000 2.630 2.201) 3.429 8.114 ( 0.000 -2.076 0.696) 2.190 9.759 ( -0.000 0.982 -1.272) 1.607 9.872 ( 0.000 -3.392 -0.548) 3.436 9.975 ( 0.000 9.856 5.381) 11.230 10.543 ( 0.000 -12.794 2.593) 13.054 10.939 ( -0.000 4.031 -2.169) 4.578 11.162 ( -0.000 -4.553 -3.007) 5.456 11.613 ( 0.000 2.624 3.564) 4.426 11.679 ( 0.000 0.703 2.782) 2.870 22.095 ( -0.000 2.296 0.017) 2.296 22.230 ( 0.000 -2.995 -0.618) 3.058 22.814 ( -0.000 0.918 -2.700) 2.852 22.837 ( -0.000 0.033 -1.898) 1.898 23.163 ( -0.000 5.421 -5.193) 7.507 23.486 ( -0.000 -7.029 -7.895) 10.571 23.937 ( 0.000 2.144 6.712) 7.046 23.977 ( 0.000 0.675 6.607) 6.642 ======================= Grid point 523 (186/216) ======================= q-point: ( 0.55 0.09 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.676 ( -2.532 4.546 13.908) 14.850 0.995 ( -5.662 -4.408 17.137) 18.579 1.040 ( -6.298 12.696 5.068) 15.051 1.358 ( -0.903 5.035 -2.936) 5.898 1.415 ( 5.555 -1.209 0.042) 5.686 1.553 ( -1.898 -8.695 1.824) 9.085 1.683 ( 1.682 1.419 1.018) 2.425 1.705 ( -2.202 0.045 3.673) 4.283 1.932 ( -6.658 -3.490 3.303) 8.211 1.965 ( -3.341 -4.709 4.549) 7.350 2.135 ( 3.422 6.445 3.081) 7.921 2.308 ( -6.707 7.753 3.283) 10.764 2.381 ( 4.580 3.937 6.351) 8.764 2.554 ( -2.464 2.631 5.174) 6.306 2.919 ( 5.980 -1.357 -5.617) 8.316 3.100 ( -2.475 -3.155 0.796) 4.089 3.648 ( -1.202 7.969 -6.722) 10.495 3.887 ( 2.324 -5.738 -7.043) 9.377 4.543 ( 2.895 6.260 1.849) 7.141 4.849 ( -0.969 -8.513 -1.334) 8.671 5.846 ( 5.236 1.169 -9.375) 10.802 5.937 ( 3.419 -1.551 -10.098) 10.773 6.608 ( 3.486 6.193 -15.642) 17.181 6.822 ( -2.170 -2.115 -15.732) 16.021 8.017 ( 1.956 2.233 1.686) 3.413 8.100 ( 0.588 -1.606 1.535) 2.298 9.769 ( -1.186 1.175 -1.171) 2.039 9.856 ( -1.855 -3.087 -0.196) 3.607 10.119 ( -2.437 9.620 5.905) 11.548 10.473 ( -0.906 -11.823 3.553) 12.378 10.952 ( 0.271 3.880 -3.314) 5.110 11.105 ( -0.707 -4.201 -3.576) 5.562 11.635 ( 3.234 2.403 4.340) 5.922 11.684 ( 2.742 0.059 3.882) 4.753 22.112 ( 0.184 2.220 -0.118) 2.231 22.196 ( 0.624 -2.718 -0.618) 2.857 22.806 ( 0.841 0.244 -2.997) 3.122 22.813 ( -0.279 0.728 -3.103) 3.200 23.076 ( 7.709 2.075 -9.008) 12.036 23.414 ( -2.723 -3.773 -2.977) 5.524 23.975 ( 1.311 1.948 5.786) 6.245 24.073 ( -2.861 0.005 5.875) 6.535 ======================= Grid point 524 (187/216) ======================= q-point: ( 0.64 0.09 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( -3.363 2.077 10.129) 10.873 1.088 ( 0.130 4.463 7.817) 9.003 1.232 ( -3.437 -1.805 2.194) 4.460 1.276 ( 6.203 -2.357 -3.478) 7.492 1.417 ( -0.588 6.064 -1.636) 6.308 1.549 ( -5.232 -6.751 2.487) 8.896 1.669 ( 3.902 3.617 2.315) 5.803 1.794 ( -3.869 -2.858 6.983) 8.479 1.986 ( -0.356 -1.726 1.780) 2.505 2.116 ( -9.683 0.250 8.948) 13.187 2.159 ( 0.580 3.115 2.621) 4.112 2.341 ( 0.947 -1.118 1.979) 2.463 2.539 ( -6.280 4.263 9.352) 12.045 2.649 ( 0.437 2.967 7.490) 8.068 2.742 ( 7.463 -1.663 -7.112) 10.442 3.167 ( -4.429 -0.999 6.048) 7.562 3.661 ( -0.746 5.063 -8.233) 9.694 3.749 ( 1.579 -4.771 -8.416) 9.802 4.514 ( 5.475 2.479 -0.389) 6.022 4.838 ( -3.668 -3.360 0.418) 4.992 5.663 ( 7.288 0.348 -11.663) 13.757 5.758 ( 8.824 -0.484 -12.173) 15.042 6.449 ( 2.477 1.973 -21.299) 21.533 6.767 ( -3.478 -0.124 -10.549) 11.108 7.988 ( 3.609 0.725 -0.334) 3.696 8.096 ( 1.047 -0.342 2.715) 2.930 9.792 ( -1.723 0.418 -0.733) 1.918 9.883 ( -3.390 -1.411 0.766) 3.751 10.278 ( -2.909 8.437 5.155) 10.307 10.433 ( -1.666 -9.611 3.798) 10.468 10.933 ( 1.246 1.732 -5.122) 5.549 11.078 ( -2.019 -1.882 -2.948) 4.038 11.612 ( 5.194 1.178 3.953) 6.632 11.655 ( 4.718 0.138 4.779) 6.717 22.117 ( 0.842 1.188 -0.649) 1.595 22.170 ( -0.272 -1.404 0.331) 1.468 22.702 ( 9.384 0.371 -4.248) 10.308 22.819 ( -1.829 0.077 -2.316) 2.952 22.936 ( -0.259 -0.142 -9.801) 9.806 23.430 ( -0.453 -0.958 3.371) 3.534 24.019 ( -0.716 2.352 2.793) 3.721 24.121 ( 0.386 -1.291 2.984) 3.274 ======================= Grid point 525 (188/216) ======================= q-point: ( 0.73 0.09 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( 0.881 0.000 5.263) 5.336 1.142 ( 2.459 -0.000 -5.575) 6.093 1.179 ( 3.223 0.000 11.976) 12.402 1.273 ( -4.476 -0.000 -3.480) 5.669 1.404 ( -1.556 -0.000 -2.953) 3.338 1.619 ( 7.217 0.000 3.647) 8.086 1.632 ( -2.813 0.000 3.148) 4.222 1.835 ( 2.155 0.000 1.060) 2.402 2.027 ( -3.371 0.000 6.207) 7.063 2.163 ( 1.788 -0.000 -1.698) 2.466 2.313 ( -5.579 0.000 8.119) 9.852 2.365 ( -1.517 0.000 2.689) 3.088 2.555 ( 6.272 -0.000 -6.370) 8.940 2.713 ( 1.406 0.000 9.618) 9.720 2.715 ( -4.277 0.000 8.732) 9.723 3.289 ( -3.515 0.000 7.848) 8.599 3.624 ( 0.370 -0.000 -7.063) 7.073 3.699 ( -4.549 -0.000 -4.457) 6.369 4.436 ( 4.617 0.000 0.601) 4.656 4.887 ( -5.605 -0.000 -5.335) 7.738 5.473 ( 13.576 -0.000 -15.216) 20.392 5.494 ( 5.559 -0.000 -5.736) 7.988 6.286 ( -0.912 -0.000 -21.460) 21.480 6.766 ( -3.807 -0.000 -5.927) 7.044 7.924 ( 3.589 -0.000 -1.295) 3.816 8.094 ( 1.668 0.000 2.753) 3.219 9.820 ( -1.874 -0.000 -0.098) 1.876 9.943 ( -3.513 0.000 1.630) 3.873 10.411 ( -3.129 0.000 4.636) 5.593 10.423 ( -0.459 0.000 3.059) 3.093 10.880 ( 0.710 -0.000 -5.715) 5.759 11.085 ( -2.197 -0.000 -3.078) 3.782 11.553 ( 5.838 0.000 3.034) 6.579 11.607 ( 5.709 0.000 4.633) 7.352 22.097 ( 1.089 -0.000 -1.034) 1.502 22.192 ( -1.922 0.000 1.728) 2.585 22.505 ( 10.296 -0.000 -4.012) 11.050 22.841 ( -2.229 -0.000 -0.260) 2.244 22.917 ( -4.687 -0.000 -9.178) 10.305 23.449 ( 2.541 0.000 7.343) 7.770 24.070 ( -2.659 -0.000 -0.862) 2.795 24.084 ( 4.067 0.000 0.273) 4.077 ======================= Grid point 535 (189/216) ======================= q-point: ( 0.55 0.18 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( -0.000 5.930 17.165) 18.160 0.928 ( -0.000 12.343 8.886) 15.209 1.115 ( -0.000 -6.953 19.661) 20.855 1.269 ( -0.000 8.867 -2.847) 9.313 1.522 ( -0.000 -0.564 9.467) 9.484 1.641 ( -0.000 -9.727 -1.915) 9.914 1.670 ( -0.000 -4.472 -1.695) 4.783 1.680 ( -0.000 5.665 3.964) 6.914 1.932 ( -0.000 -3.577 1.824) 4.015 2.008 ( -0.000 -3.631 5.041) 6.213 2.171 ( -0.000 5.742 -0.148) 5.744 2.202 ( -0.000 8.591 14.745) 17.065 2.420 ( -0.000 7.353 6.853) 10.051 2.550 ( 0.000 1.702 5.537) 5.792 2.960 ( 0.000 2.125 -2.072) 2.968 3.078 ( -0.000 -4.440 -5.416) 7.004 3.516 ( -0.000 7.534 -7.022) 10.299 3.893 ( -0.000 -5.541 -9.338) 10.859 4.542 ( -0.000 5.253 3.561) 6.346 4.878 ( -0.000 -7.853 -6.056) 9.917 5.830 ( -0.000 1.016 -7.044) 7.117 5.878 ( -0.000 -1.113 -15.327) 15.367 6.474 ( -0.000 6.496 -16.153) 17.410 6.657 ( -0.000 -1.060 -24.393) 24.416 8.032 ( -0.000 2.539 2.581) 3.621 8.125 ( -0.000 -1.346 0.774) 1.553 9.740 ( 0.000 1.070 -1.010) 1.471 9.868 ( 0.000 -3.839 0.068) 3.840 10.080 ( -0.000 8.360 8.867) 12.187 10.592 ( -0.000 -12.163 3.873) 12.764 10.901 ( 0.000 3.476 -2.833) 4.485 11.101 ( -0.000 -4.063 -5.264) 6.650 11.676 ( -0.000 2.659 4.795) 5.483 11.730 ( -0.000 1.000 3.864) 3.991 22.096 ( -0.000 1.887 0.213) 1.899 22.218 ( -0.000 -2.853 -1.066) 3.045 22.757 ( 0.000 1.370 -5.031) 5.214 22.798 ( 0.000 -0.181 -3.488) 3.493 23.091 ( 0.000 3.566 -4.151) 5.472 23.360 ( 0.000 -6.835 -8.908) 11.228 24.040 ( 0.000 2.429 6.945) 7.358 24.082 ( 0.000 0.715 7.105) 7.141 ======================= Grid point 536 (190/216) ======================= q-point: ( 0.64 0.18 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( 2.019 4.307 14.870) 15.612 1.069 ( 1.577 10.400 2.628) 10.842 1.263 ( -4.688 -4.999 13.115) 14.798 1.332 ( -2.478 6.382 0.979) 6.916 1.443 ( 9.131 -4.562 4.704) 11.239 1.570 ( -1.580 -8.258 0.759) 8.442 1.678 ( -0.395 1.838 -0.222) 1.893 1.794 ( -3.282 1.278 6.782) 7.642 1.989 ( -5.592 -3.136 4.495) 7.830 2.048 ( -3.712 -0.132 6.868) 7.808 2.180 ( 2.158 3.686 3.537) 5.545 2.345 ( -2.423 -0.684 1.419) 2.890 2.518 ( -0.056 7.393 10.088) 12.507 2.673 ( -1.971 4.329 12.234) 13.126 2.845 ( 8.803 -0.567 -3.273) 9.409 3.117 ( -7.337 -1.507 2.345) 7.849 3.522 ( -1.333 6.096 -10.386) 12.116 3.749 ( 1.657 -6.397 -11.994) 13.694 4.569 ( 3.736 3.980 1.283) 5.608 4.795 ( -2.262 -5.292 -7.327) 9.317 5.700 ( 5.948 0.023 -9.656) 11.341 5.770 ( 3.102 0.263 -12.113) 12.506 6.317 ( 4.834 2.110 -24.011) 24.584 6.560 ( -7.385 1.477 -19.515) 20.918 8.039 ( 3.238 1.499 1.224) 3.772 8.125 ( 0.006 -0.451 1.801) 1.857 9.758 ( -1.294 1.247 -0.177) 1.806 9.858 ( -2.245 -3.230 0.461) 3.960 10.223 ( -1.586 7.850 8.145) 11.423 10.531 ( -0.453 -10.839 4.271) 11.659 10.899 ( 0.894 2.755 -3.878) 4.841 11.041 ( -1.380 -3.266 -5.175) 6.273 11.701 ( 3.448 2.049 4.511) 6.036 11.744 ( 2.502 0.545 4.173) 4.895 22.111 ( 0.215 1.674 0.026) 1.688 22.186 ( 0.211 -2.414 -0.733) 2.532 22.746 ( -1.758 1.147 -5.202) 5.609 22.761 ( 1.413 0.499 -3.838) 4.120 22.959 ( 9.613 -1.058 -6.859) 11.856 23.361 ( -8.586 -2.442 -3.821) 9.710 24.066 ( 3.395 1.914 6.308) 7.415 24.151 ( -0.630 0.370 4.773) 4.829 ======================= Grid point 537 (191/216) ======================= q-point: ( 0.73 0.18 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( 1.201 1.794 7.652) 7.951 1.129 ( 0.223 7.097 -0.129) 7.102 1.243 ( 3.999 -5.757 -0.333) 7.017 1.337 ( 5.052 0.629 7.639) 9.180 1.402 ( 2.077 -1.524 1.756) 3.118 1.594 ( -5.918 -3.736 3.328) 7.749 1.706 ( 3.132 5.668 3.415) 7.321 1.873 ( -3.084 -5.549 3.786) 7.391 2.025 ( 0.496 2.599 3.565) 4.440 2.175 ( 0.519 1.841 0.032) 1.913 2.276 ( -6.766 0.678 11.430) 13.300 2.352 ( -1.865 -1.532 0.020) 2.414 2.603 ( 4.785 3.035 -3.197) 6.506 2.727 ( -2.030 -1.047 9.039) 9.323 2.833 ( 2.235 2.112 15.759) 16.056 3.277 ( -6.217 -0.484 9.723) 11.551 3.518 ( -3.591 4.606 -11.204) 12.635 3.602 ( -1.530 -4.858 -11.216) 12.319 4.524 ( 5.193 1.518 1.813) 5.706 4.732 ( -3.541 -1.918 -16.065) 16.562 5.562 ( 8.402 1.266 -4.424) 9.579 5.581 ( 7.653 -0.877 -8.299) 11.323 6.085 ( 0.098 -0.014 -28.308) 28.308 6.584 ( -8.811 1.393 -14.291) 16.847 7.984 ( 4.573 0.348 -0.238) 4.592 8.134 ( 0.947 0.189 2.455) 2.638 9.790 ( -1.701 0.439 0.503) 1.828 9.896 ( -3.917 -1.266 1.142) 4.272 10.366 ( -1.949 6.827 6.810) 9.837 10.495 ( -0.817 -8.421 4.576) 9.619 10.856 ( 1.669 0.688 -5.405) 5.698 11.022 ( -2.550 -1.060 -4.599) 5.364 11.668 ( 5.716 0.876 3.555) 6.789 11.722 ( 4.611 0.430 4.146) 6.215 22.108 ( 1.107 0.451 -0.643) 1.358 22.178 ( -1.266 -0.815 0.712) 1.665 22.647 ( 10.370 0.546 -3.341) 10.908 22.766 ( -3.321 2.107 -5.486) 6.750 22.813 ( -1.388 -3.222 -6.283) 7.196 23.465 ( -6.006 -0.317 1.669) 6.241 24.064 ( 3.012 1.836 3.210) 4.770 24.157 ( 2.751 -0.857 1.998) 3.507 ======================= Grid point 538 (192/216) ======================= q-point: ( 0.82 0.18 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( 3.606 0.000 1.781) 4.022 1.090 ( 4.070 -0.000 -1.794) 4.448 1.222 ( -2.287 -0.000 -3.424) 4.118 1.362 ( -2.408 -0.000 -3.112) 3.935 1.366 ( 2.901 0.000 13.752) 14.054 1.670 ( -2.130 0.000 2.071) 2.970 1.698 ( 5.353 0.000 7.128) 8.915 1.833 ( 4.753 0.000 -0.775) 4.816 2.112 ( 4.163 -0.000 -5.170) 6.638 2.118 ( -4.830 0.000 5.794) 7.543 2.387 ( -2.040 0.000 0.656) 2.143 2.406 ( 0.491 0.000 3.460) 3.494 2.525 ( 3.111 0.000 3.367) 4.584 2.843 ( -1.678 0.000 8.173) 8.344 2.894 ( 4.314 0.000 14.757) 15.375 3.320 ( 1.340 -0.000 -5.727) 5.882 3.519 ( -3.131 -0.000 -6.677) 7.375 3.700 ( -11.304 0.000 6.474) 13.027 4.486 ( 2.903 0.000 6.983) 7.562 4.660 ( -7.562 -0.000 -23.212) 24.412 5.276 ( 14.718 -0.000 -11.385) 18.608 5.529 ( 3.993 0.000 8.087) 9.019 5.924 ( -5.523 -0.000 -28.087) 28.625 6.649 ( -9.577 -0.000 -9.578) 13.545 7.910 ( 4.138 0.000 -0.756) 4.207 8.130 ( 1.761 0.000 2.253) 2.860 9.825 ( -1.797 0.000 0.774) 1.957 9.966 ( -3.927 0.000 1.606) 4.243 10.479 ( 0.958 0.000 4.546) 4.646 10.493 ( -2.532 0.000 6.494) 6.970 10.795 ( 0.684 -0.000 -6.058) 6.097 11.025 ( -2.469 -0.000 -5.074) 5.643 11.592 ( 6.741 0.000 2.307) 7.125 11.666 ( 5.912 0.000 3.435) 6.837 22.084 ( 1.156 -0.000 -0.779) 1.394 22.219 ( -2.906 0.000 2.108) 3.590 22.462 ( 9.526 0.000 -2.001) 9.734 22.788 ( -4.473 -0.000 -8.384) 9.502 22.826 ( -4.568 -0.000 -1.489) 4.805 23.555 ( -1.145 0.000 7.136) 7.228 24.049 ( 0.842 -0.000 -2.066) 2.231 24.086 ( 5.840 0.000 -0.017) 5.840 ======================= Grid point 548 (193/216) ======================= q-point: ( 0.64 0.27 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( -0.000 6.522 14.157) 15.587 1.021 ( -0.000 11.394 5.348) 12.587 1.244 ( -0.000 8.819 -0.739) 8.850 1.391 ( 0.000 -9.533 15.220) 17.959 1.606 ( 0.000 -1.212 -1.046) 1.601 1.608 ( -0.000 -2.931 3.656) 4.686 1.683 ( -0.000 -8.205 2.305) 8.523 1.792 ( -0.000 3.982 8.695) 9.563 1.978 ( -0.000 1.799 5.532) 5.818 2.084 ( -0.000 -1.362 5.691) 5.852 2.194 ( 0.000 2.420 4.156) 4.810 2.349 ( -0.000 -1.126 3.942) 4.099 2.527 ( -0.000 4.691 7.263) 8.646 2.725 ( 0.000 5.114 18.363) 19.061 2.948 ( -0.000 6.459 0.935) 6.527 3.001 ( 0.000 -2.293 -3.558) 4.233 3.410 ( -0.000 2.820 -6.470) 7.058 3.722 ( -0.000 -6.696 -14.426) 15.905 4.572 ( 0.000 3.029 -0.514) 3.072 4.757 ( 0.000 -5.088 -11.274) 12.369 5.635 ( 0.000 2.404 -17.023) 17.192 5.732 ( -0.000 -0.699 -5.774) 5.816 6.224 ( -0.000 3.644 -17.525) 17.900 6.270 ( -0.000 1.543 -28.046) 28.088 8.067 ( -0.000 2.391 2.100) 3.182 8.133 ( -0.000 -0.518 0.336) 0.617 9.736 ( 0.000 1.252 0.613) 1.394 9.872 ( 0.000 -3.588 0.268) 3.598 10.221 ( 0.000 5.796 10.380) 11.889 10.646 ( 0.000 -11.287 3.276) 11.753 10.864 ( 0.000 1.954 -2.184) 2.931 11.014 ( 0.000 -3.183 -6.625) 7.350 11.743 ( -0.000 2.813 4.240) 5.088 11.783 ( -0.000 1.416 3.311) 3.601 22.102 ( -0.000 1.277 0.648) 1.432 22.201 ( -0.000 -2.531 -1.291) 2.841 22.681 ( -0.000 1.336 -4.973) 5.149 22.740 ( -0.000 -0.567 -4.390) 4.426 23.049 ( -0.000 1.176 -1.816) 2.164 23.240 ( -0.000 -6.418 -7.573) 9.927 24.130 ( -0.000 2.911 5.384) 6.120 24.170 ( -0.000 1.281 4.873) 5.039 ======================= Grid point 549 (194/216) ======================= q-point: ( 0.73 0.27 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( 4.441 2.821 10.520) 11.763 1.104 ( 4.341 10.110 2.282) 11.237 1.309 ( 0.415 4.673 0.363) 4.706 1.412 ( 1.703 -4.476 3.755) 6.085 1.564 ( 3.399 -5.094 6.070) 8.622 1.591 ( -2.093 -7.904 5.873) 10.067 1.697 ( -0.491 4.536 3.674) 5.858 1.878 ( -3.171 -1.381 5.205) 6.249 2.067 ( 2.053 -0.398 5.996) 6.350 2.120 ( -2.274 6.281 1.086) 6.768 2.281 ( -3.962 -0.109 11.805) 12.453 2.343 ( -0.488 -2.989 -1.872) 3.560 2.605 ( 0.629 4.755 2.223) 5.286 2.791 ( 2.050 -3.429 1.617) 4.310 2.961 ( 1.383 5.156 18.739) 19.485 3.200 ( -11.633 4.470 8.678) 15.186 3.377 ( 0.526 0.856 -6.025) 6.109 3.544 ( 0.260 -6.944 -16.141) 17.574 4.556 ( 0.843 1.535 -6.728) 6.952 4.619 ( 1.713 -2.709 -14.203) 14.560 5.561 ( 0.114 3.256 -11.502) 11.954 5.644 ( 4.704 -0.950 -2.629) 5.472 5.951 ( 7.803 -0.075 -24.622) 25.829 6.280 ( -11.199 2.997 -18.825) 22.108 8.052 ( 4.252 0.991 0.627) 4.411 8.149 ( -0.693 0.449 1.386) 1.613 9.767 ( -1.160 1.362 1.406) 2.275 9.867 ( -2.372 -2.680 0.627) 3.634 10.346 ( -1.284 5.137 8.602) 10.100 10.587 ( -0.479 -9.528 3.129) 10.040 10.844 ( 1.770 1.029 -3.523) 4.075 10.961 ( -1.898 -2.005 -5.574) 6.221 11.759 ( 3.714 1.865 3.408) 5.375 11.798 ( 2.249 0.990 3.134) 3.982 22.113 ( 0.444 0.879 0.290) 1.026 22.176 ( -0.448 -1.805 -0.564) 1.944 22.669 ( -1.500 1.206 -4.985) 5.344 22.704 ( 0.397 0.226 -3.888) 3.915 22.880 ( 10.843 -3.065 -4.193) 12.023 23.312 ( -12.109 -1.677 -2.811) 12.544 24.147 ( 4.140 2.045 4.674) 6.570 24.207 ( 1.107 0.823 2.917) 3.227 ======================= Grid point 550 (195/216) ======================= q-point: ( 0.82 0.27 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( 5.478 0.966 2.954) 6.298 1.124 ( 2.354 6.149 -0.305) 6.591 1.248 ( 5.585 -6.621 0.918) 8.710 1.348 ( 3.077 1.427 -1.845) 3.861 1.534 ( 2.657 -3.718 10.200) 11.177 1.643 ( -2.964 -1.691 4.294) 5.484 1.776 ( 2.189 6.060 6.232) 8.964 1.916 ( 0.702 -5.701 2.852) 6.413 2.068 ( -0.114 5.338 0.998) 5.432 2.142 ( 2.163 -1.078 -3.893) 4.582 2.341 ( -3.494 0.138 -0.491) 3.531 2.435 ( -1.334 0.979 7.793) 7.967 2.598 ( 2.971 1.509 4.667) 5.734 2.838 ( -5.119 -0.694 5.159) 7.301 3.103 ( 5.195 1.840 20.394) 21.125 3.305 ( 1.536 0.103 -10.741) 10.851 3.378 ( -5.552 -1.799 -9.572) 11.211 3.564 ( -12.906 0.326 13.437) 18.634 4.404 ( -1.468 -1.516 -27.201) 27.282 4.570 ( 1.073 0.928 4.660) 4.871 5.410 ( 9.819 0.333 -10.778) 14.584 5.612 ( 1.489 4.083 -5.272) 6.832 5.684 ( 2.070 -4.058 -15.269) 15.934 6.371 ( -13.021 1.796 -14.407) 19.502 7.981 ( 5.121 0.219 -0.175) 5.129 8.164 ( 0.740 0.465 1.616) 1.837 9.805 ( -1.457 0.347 1.307) 1.988 9.914 ( -4.049 -0.638 1.220) 4.277 10.466 ( -1.915 4.413 6.786) 8.318 10.558 ( -1.100 -6.780 3.765) 7.833 10.781 ( 2.431 -0.084 -4.820) 5.399 10.951 ( -2.346 -0.518 -4.936) 5.489 11.711 ( 6.147 0.825 2.317) 6.621 11.771 ( 4.536 0.539 2.626) 5.269 22.100 ( 1.298 -0.076 -0.436) 1.372 22.191 ( -2.257 -0.358 1.035) 2.509 22.608 ( 10.261 0.761 -1.965) 10.475 22.674 ( -2.156 1.258 -5.987) 6.487 22.752 ( -3.397 -3.287 -2.923) 5.558 23.482 ( -10.526 0.047 0.774) 10.555 24.106 ( 5.931 1.311 2.349) 6.513 24.178 ( 4.447 -0.335 0.945) 4.559 ======================= Grid point 551 (196/216) ======================= q-point: ( 0.91 0.27 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( 4.315 0.000 -0.255) 4.323 1.079 ( 4.429 0.000 -0.103) 4.431 1.183 ( -1.185 -0.000 -1.706) 2.077 1.318 ( -0.822 -0.000 -2.610) 2.736 1.560 ( 2.443 0.000 12.011) 12.257 1.692 ( -1.194 0.000 0.944) 1.522 1.809 ( 3.484 0.000 7.793) 8.536 1.817 ( 6.311 0.000 -1.368) 6.458 2.024 ( 4.239 -0.000 -6.727) 7.951 2.185 ( -5.844 0.000 3.204) 6.664 2.392 ( -2.120 -0.000 0.309) 2.142 2.424 ( 4.544 0.000 0.225) 4.550 2.620 ( 3.305 0.000 7.343) 8.053 2.941 ( -1.076 0.000 5.561) 5.664 3.088 ( 8.498 0.000 8.940) 12.334 3.171 ( 2.423 -0.000 -12.032) 12.273 3.477 ( -5.350 0.000 3.289) 6.280 3.827 ( -7.014 0.000 7.976) 10.622 4.298 ( -12.323 -0.000 -24.510) 27.433 4.661 ( -2.435 0.000 17.610) 17.777 5.148 ( 13.793 -0.000 -6.714) 15.340 5.499 ( -8.191 -0.000 -29.256) 30.381 5.658 ( 3.339 0.000 8.089) 8.752 6.513 ( -14.070 -0.000 -8.227) 16.299 7.902 ( 4.404 0.000 -0.350) 4.418 8.156 ( 1.735 0.000 1.244) 2.134 9.838 ( -1.569 0.000 0.892) 1.805 9.987 ( -3.963 -0.000 1.142) 4.124 10.550 ( 0.965 0.000 5.031) 5.123 10.587 ( -3.041 0.000 5.928) 6.663 10.708 ( 1.315 -0.000 -5.793) 5.941 10.947 ( -1.992 -0.000 -5.149) 5.521 11.617 ( 7.428 0.000 1.167) 7.519 11.704 ( 6.014 0.000 1.756) 6.265 22.075 ( 1.185 -0.000 -0.412) 1.255 22.250 ( -3.718 0.000 1.900) 4.175 22.444 ( 8.502 0.000 -0.607) 8.524 22.684 ( -3.672 -0.000 -5.582) 6.682 22.806 ( -5.819 -0.000 -1.159) 5.933 23.646 ( -6.958 0.000 4.982) 8.557 24.015 ( 6.159 -0.000 -2.263) 6.561 24.084 ( 6.901 0.000 -0.112) 6.902 ======================= Grid point 553 (197/216) ======================= q-point: ( 0.00 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( 4.123 0.000 -0.000) 4.123 1.080 ( 4.438 0.000 -0.000) 4.438 1.172 ( -0.783 -0.000 0.000) 0.783 1.298 ( 0.074 0.000 -0.000) 0.074 1.665 ( -2.182 -0.000 0.000) 2.182 1.696 ( 3.201 0.000 -0.000) 3.201 1.801 ( 7.463 0.000 -0.000) 7.463 1.905 ( 3.114 0.000 -0.000) 3.114 1.936 ( 3.711 0.000 -0.000) 3.711 2.207 ( -6.513 -0.000 0.000) 6.513 2.396 ( -2.205 -0.000 0.000) 2.205 2.425 ( 5.184 0.000 -0.000) 5.184 2.683 ( 5.451 0.000 -0.000) 5.451 3.019 ( -8.155 -0.000 0.000) 8.155 3.033 ( 9.616 0.000 -0.000) 9.616 3.133 ( 5.621 0.000 -0.000) 5.621 3.562 ( 3.777 0.000 -0.000) 3.777 3.887 ( -3.139 -0.000 0.000) 3.139 4.069 ( -20.732 -0.000 0.000) 20.732 4.932 ( -3.969 -0.000 0.000) 3.969 5.022 ( 2.177 0.000 -0.000) 2.177 5.221 ( 0.117 0.000 -0.000) 0.117 5.723 ( 3.828 0.000 -0.000) 3.828 6.446 ( -16.233 -0.000 0.000) 16.233 7.899 ( 4.478 0.000 -0.000) 4.478 8.165 ( 1.707 0.000 -0.000) 1.707 9.846 ( -1.457 -0.000 0.000) 1.457 9.996 ( -3.926 -0.000 0.000) 3.926 10.613 ( -2.909 -0.000 0.000) 2.909 10.638 ( -3.795 -0.000 0.000) 3.795 10.639 ( 5.350 0.000 -0.000) 5.350 10.902 ( -1.314 -0.000 0.000) 1.314 11.626 ( 7.688 0.000 -0.000) 7.688 11.717 ( 6.047 0.000 -0.000) 6.047 22.072 ( 1.195 0.000 -0.000) 1.195 22.266 ( -4.055 -0.000 0.000) 4.055 22.440 ( 7.915 0.000 -0.000) 7.915 22.641 ( -3.112 -0.000 0.000) 3.112 22.797 ( -6.217 -0.000 0.000) 6.217 23.685 ( -10.753 -0.000 0.000) 10.753 23.996 ( 9.726 0.000 -0.000) 9.726 24.083 ( 7.252 0.000 -0.000) 7.252 ======================= Grid point 561 (198/216) ======================= q-point: ( 0.73 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( -0.000 10.311 4.549) 11.270 1.177 ( 0.000 5.412 11.273) 12.504 1.234 ( -0.000 8.737 -1.212) 8.820 1.491 ( -0.000 -5.152 -0.316) 5.162 1.620 ( -0.000 -2.539 2.511) 3.571 1.675 ( -0.000 -6.867 3.884) 7.889 1.737 ( -0.000 -2.157 5.382) 5.798 1.894 ( -0.000 3.152 7.300) 7.952 2.034 ( -0.000 7.132 0.129) 7.133 2.178 ( -0.000 0.588 7.262) 7.285 2.344 ( -0.000 -1.193 -3.300) 3.509 2.345 ( -0.000 -4.499 15.659) 16.293 2.602 ( 0.000 2.057 3.345) 3.927 2.847 ( -0.000 -5.466 -2.745) 6.117 2.963 ( -0.000 7.916 -0.985) 7.977 3.169 ( -0.000 5.048 26.477) 26.954 3.405 ( 0.000 -0.789 8.736) 8.772 3.478 ( -0.000 -7.212 -19.072) 20.390 4.485 ( 0.000 -0.085 -12.722) 12.723 4.539 ( -0.000 -2.841 -18.854) 19.067 5.440 ( -0.000 6.801 -7.995) 10.497 5.678 ( -0.000 -2.379 -1.440) 2.781 5.884 ( -0.000 5.086 -23.963) 24.497 5.989 ( -0.000 0.927 -14.531) 14.561 8.093 ( -0.000 2.080 1.578) 2.611 8.134 ( -0.000 0.264 -0.250) 0.363 9.759 ( -0.000 1.299 2.401) 2.730 9.869 ( -0.000 -2.231 -0.877) 2.397 10.373 ( -0.000 2.350 10.428) 10.690 10.675 ( -0.000 -9.945 0.113) 9.945 10.841 ( -0.000 -0.191 -0.895) 0.915 10.918 ( -0.000 -2.019 -6.083) 6.410 11.795 ( -0.000 2.858 2.965) 4.118 11.821 ( -0.000 1.875 1.881) 2.656 22.115 ( 0.000 0.546 1.189) 1.309 22.181 ( -0.000 -1.944 -1.436) 2.417 22.623 ( 0.000 0.536 -2.799) 2.850 22.676 ( -0.000 -0.945 -4.197) 4.302 23.035 ( -0.000 -0.895 -0.104) 0.901 23.145 ( -0.000 -5.480 -5.513) 7.773 24.194 ( 0.000 3.185 3.487) 4.723 24.222 ( -0.000 2.080 2.388) 3.166 ======================= Grid point 562 (199/216) ======================= q-point: ( 0.82 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( 6.217 9.880 1.387) 11.755 1.198 ( 6.932 0.059 5.469) 8.830 1.316 ( 0.322 4.727 0.704) 4.790 1.438 ( 3.969 -3.561 0.513) 5.357 1.574 ( -1.371 -6.758 -0.635) 6.925 1.693 ( -4.165 -4.298 3.882) 7.134 1.804 ( 1.132 5.153 9.688) 11.031 1.968 ( -0.478 0.884 6.781) 6.855 2.077 ( 2.729 4.005 -3.942) 6.248 2.166 ( 4.627 0.182 5.776) 7.403 2.288 ( -0.291 -1.957 -5.240) 5.601 2.462 ( -1.948 1.210 8.855) 9.147 2.646 ( -0.241 2.038 6.419) 6.739 2.807 ( -3.667 -5.147 1.609) 6.522 3.063 ( -8.749 4.821 -8.003) 12.800 3.290 ( 0.714 -4.452 -15.811) 16.441 3.376 ( 2.129 -0.509 21.192) 21.305 3.534 ( -5.323 0.999 19.901) 20.625 4.256 ( 5.362 -2.054 -26.337) 26.956 4.508 ( -7.934 0.164 -8.184) 11.399 5.386 ( 6.510 4.105 -11.283) 13.658 5.640 ( 10.251 2.196 -6.344) 12.253 5.707 ( -1.868 -1.774 -0.189) 2.583 6.028 ( -12.609 2.659 -15.630) 20.257 8.058 ( 4.838 0.729 0.242) 4.898 8.164 ( -1.207 0.951 0.704) 1.690 9.794 ( -0.702 0.922 2.104) 2.402 9.871 ( -2.656 -1.033 -0.225) 2.859 10.466 ( -1.422 1.440 7.832) 8.090 10.610 ( -1.150 -7.418 -0.504) 7.524 10.800 ( 2.936 -0.362 -2.407) 3.813 10.892 ( -2.046 -1.113 -3.613) 4.299 11.797 ( 3.953 1.755 1.790) 4.681 11.832 ( 2.040 1.317 1.600) 2.908 22.118 ( 0.960 -0.082 0.359) 1.028 22.170 ( -1.356 -0.878 -0.278) 1.639 22.611 ( -0.503 0.203 -2.866) 2.917 22.656 ( -1.003 0.240 -2.577) 2.776 22.836 ( 11.457 -3.673 -1.994) 12.195 23.281 ( -13.950 -1.307 -1.425) 14.083 24.199 ( 4.318 1.995 2.518) 5.382 24.236 ( 2.199 1.366 1.187) 2.848 ======================= Grid point 563 (200/216) ======================= q-point: ( 0.91 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( 7.351 -1.574 0.656) 7.546 1.120 ( 4.449 7.390 -0.235) 8.629 1.265 ( 7.188 -7.540 1.136) 10.479 1.321 ( 2.420 0.432 -1.466) 2.862 1.610 ( -3.940 -0.875 1.525) 4.314 1.724 ( 0.948 -1.932 4.153) 4.678 1.881 ( 4.550 4.988 7.694) 10.236 1.964 ( 7.002 -3.108 2.506) 8.060 2.019 ( 1.546 1.712 -5.487) 5.952 2.105 ( -2.522 0.313 -1.569) 2.987 2.336 ( -4.925 0.892 -0.144) 5.007 2.486 ( 3.450 1.673 0.910) 3.941 2.720 ( 3.152 2.821 8.010) 9.058 2.885 ( -8.023 -3.289 1.936) 8.885 3.154 ( -0.751 1.095 -6.677) 6.808 3.171 ( -1.976 -1.145 -8.091) 8.407 3.497 ( 0.057 -0.398 23.488) 23.492 3.766 ( -6.159 2.427 8.487) 10.764 4.000 ( -2.512 -3.178 -25.574) 25.893 4.668 ( -12.396 0.292 7.810) 14.654 5.189 ( 5.871 1.002 -17.127) 18.132 5.399 ( 13.008 0.477 -5.611) 14.174 5.754 ( 1.723 -0.550 5.837) 6.111 6.197 ( -16.847 1.914 -8.025) 18.759 7.979 ( 5.357 0.175 -0.068) 5.361 8.180 ( 0.577 0.588 0.553) 0.992 9.821 ( -1.193 0.023 0.733) 1.401 9.927 ( -4.079 0.265 0.499) 4.118 10.553 ( -2.531 0.667 4.795) 5.463 10.591 ( -2.620 -3.846 0.274) 4.662 10.725 ( 3.920 -0.192 -2.370) 4.585 10.893 ( -1.558 -0.451 -2.516) 2.994 11.733 ( 6.393 0.834 0.787) 6.495 11.797 ( 4.502 0.579 0.884) 4.624 22.096 ( 1.408 -0.338 -0.147) 1.455 22.204 ( -3.018 -0.067 0.582) 3.074 22.590 ( 9.965 1.025 -0.523) 10.031 22.611 ( -1.394 0.276 -2.494) 2.871 22.723 ( -4.153 -3.012 -1.048) 5.236 23.489 ( -12.939 0.209 0.225) 12.943 24.129 ( 7.395 0.812 0.866) 7.489 24.186 ( 5.359 0.184 0.229) 5.367 ======================= Grid point 574 (201/216) ======================= q-point: ( 0.82 0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( -0.000 9.400 3.879) 10.169 1.203 ( -0.000 8.580 -2.889) 9.053 1.326 ( -0.000 3.261 9.268) 9.825 1.439 ( -0.000 -0.388 -6.118) 6.130 1.660 ( 0.000 -6.100 2.539) 6.607 1.689 ( -0.000 -7.620 -1.193) 7.713 1.835 ( -0.000 4.993 7.618) 9.109 1.933 ( 0.000 8.705 -4.640) 9.864 2.083 ( -0.000 -0.847 9.289) 9.327 2.214 ( -0.000 -1.821 -6.453) 6.705 2.347 ( -0.000 4.474 7.746) 8.946 2.457 ( -0.000 2.884 -3.717) 4.704 2.713 ( -0.000 -6.835 11.303) 13.209 2.799 ( 0.000 -7.214 -3.113) 7.857 2.959 ( 0.000 0.881 5.653) 5.722 3.183 ( 0.000 -5.730 -20.792) 21.567 3.562 ( 0.000 2.931 23.292) 23.476 3.622 ( -0.000 0.925 15.119) 15.148 4.234 ( -0.000 -1.456 -17.211) 17.272 4.245 ( 0.000 -1.918 -18.263) 18.363 5.426 ( -0.000 8.227 5.510) 9.901 5.579 ( -0.000 5.637 -14.910) 15.940 5.715 ( -0.000 -0.378 3.523) 3.543 5.813 ( 0.000 -0.772 -9.621) 9.652 8.113 ( -0.000 1.591 1.165) 1.972 8.127 ( -0.000 0.972 -0.758) 1.232 9.801 ( -0.000 0.834 3.215) 3.322 9.844 ( 0.000 -0.430 -2.531) 2.567 10.518 ( -0.000 -1.747 9.402) 9.563 10.634 ( 0.000 -6.416 -5.947) 8.748 10.837 ( -0.000 -1.885 0.328) 1.913 10.855 ( 0.000 -2.019 -2.461) 3.183 11.827 ( -0.000 2.680 1.450) 3.048 11.836 ( -0.000 2.322 0.193) 2.330 22.136 ( -0.000 -0.263 1.566) 1.588 22.159 ( 0.000 -1.130 -1.597) 1.956 22.604 ( -0.000 -0.422 0.123) 0.439 22.625 ( -0.000 -0.971 -2.701) 2.870 23.045 ( -0.000 -2.640 1.527) 3.050 23.081 ( -0.000 -4.168 -3.405) 5.382 24.231 ( -0.000 3.141 1.618) 3.533 24.240 ( -0.000 2.758 0.264) 2.771 ======================= Grid point 575 (202/216) ======================= q-point: ( 0.91 0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( 7.135 9.848 0.000) 12.161 1.237 ( 7.338 -1.164 0.000) 7.430 1.324 ( 1.248 3.464 0.000) 3.682 1.440 ( 3.525 -1.870 -0.000) 3.991 1.567 ( -1.485 -6.234 -0.000) 6.409 1.718 ( -5.971 -4.193 -0.000) 7.297 1.914 ( 0.792 7.234 0.000) 7.278 1.969 ( 1.732 5.750 0.000) 6.005 2.086 ( 2.092 -1.685 -0.000) 2.686 2.216 ( 13.574 -1.902 0.000) 13.707 2.227 ( -5.860 -0.664 -0.000) 5.898 2.506 ( 0.801 4.503 0.000) 4.574 2.728 ( -2.534 0.356 -0.000) 2.559 2.908 ( 4.348 -3.986 -0.000) 5.899 2.912 ( -16.714 -4.019 -0.000) 17.190 3.131 ( -4.368 -1.680 -0.000) 4.680 3.654 ( 2.362 1.371 0.000) 2.731 3.724 ( -2.509 1.840 0.000) 3.112 3.954 ( 8.803 -3.048 0.000) 9.316 4.414 ( -17.626 -0.454 -0.000) 17.632 5.294 ( 14.398 4.187 0.000) 14.995 5.570 ( 9.956 1.888 0.000) 10.133 5.793 ( -1.224 -0.863 -0.000) 1.498 5.859 ( -17.210 2.922 -0.000) 17.456 8.060 ( 5.026 0.647 0.000) 5.068 8.169 ( -1.394 1.109 0.000) 1.782 9.814 ( -0.049 0.059 0.000) 0.077 9.866 ( -3.222 0.483 -0.000) 3.258 10.565 ( -1.537 -3.328 -0.000) 3.666 10.565 ( -1.697 -3.041 -0.000) 3.482 10.782 ( 3.453 -0.825 0.000) 3.550 10.865 ( -1.866 -1.226 -0.000) 2.233 11.810 ( 4.060 1.705 0.000) 4.403 11.844 ( 1.948 1.447 0.000) 2.426 22.121 ( 1.337 -0.627 -0.000) 1.477 22.168 ( -1.911 -0.301 -0.000) 1.935 22.590 ( 0.090 -0.448 -0.000) 0.457 22.636 ( -1.693 0.378 -0.000) 1.735 22.821 ( 11.631 -3.758 0.000) 12.223 23.271 ( -14.519 -1.203 -0.000) 14.569 24.218 ( 4.348 1.841 0.000) 4.722 24.244 ( 2.560 1.707 0.000) 3.077 ======================= Grid point 621 (203/216) ======================= q-point: ( 0.45 -0.18 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( -2.457 -0.000 0.994) 2.651 0.872 ( -0.341 -0.000 -8.106) 8.113 1.392 ( 1.783 -0.000 8.972) 9.147 1.411 ( -7.185 -0.000 6.009) 9.366 1.508 ( -3.375 -2.654 -5.095) 6.663 1.508 ( 3.949 2.654 -3.744) 6.054 1.544 ( 0.201 -0.000 4.116) 4.121 1.649 ( -1.722 0.000 -8.773) 8.940 1.992 ( -1.004 -0.000 3.290) 3.439 2.062 ( -3.486 -0.000 -6.239) 7.147 2.210 ( -4.354 -0.000 1.627) 4.648 2.248 ( -3.249 -0.000 -3.616) 4.861 2.573 ( -2.449 -0.000 -1.140) 2.701 2.574 ( -4.888 0.000 -1.286) 5.054 2.848 ( 4.660 -0.000 11.349) 12.268 3.008 ( 1.599 -0.000 -10.672) 10.791 3.770 ( 3.102 0.000 2.649) 4.079 3.788 ( 2.553 -0.000 0.187) 2.560 4.546 ( 2.357 -0.000 7.892) 8.236 4.682 ( 0.576 -0.000 -10.606) 10.621 5.827 ( 4.364 -0.000 6.776) 8.060 5.837 ( 6.534 -0.000 5.363) 8.453 6.685 ( 8.114 -0.000 7.754) 11.223 6.774 ( 7.529 -0.000 -4.606) 8.826 7.979 ( 1.973 -0.000 2.391) 3.100 8.015 ( 1.511 -0.000 -2.565) 2.977 9.850 ( -1.486 -0.000 1.969) 2.467 9.883 ( -1.768 -0.000 -2.479) 3.045 10.363 ( -5.681 0.000 0.751) 5.730 10.377 ( -5.111 -0.000 -0.957) 5.200 11.031 ( 1.228 -0.000 4.664) 4.823 11.088 ( 0.307 0.000 -2.974) 2.990 11.482 ( 4.433 -0.000 -0.846) 4.513 11.491 ( 4.638 0.000 -2.064) 5.077 22.130 ( 0.556 -0.000 1.233) 1.353 22.149 ( -0.061 -0.000 -1.322) 1.323 22.672 ( 8.911 -0.000 6.811) 11.216 22.764 ( 5.765 -0.000 -5.627) 8.056 23.162 ( -1.927 -0.000 7.241) 7.493 23.258 ( 0.904 -0.000 -6.192) 6.258 24.072 ( -3.300 -0.000 -0.179) 3.305 24.073 ( -1.076 0.000 -0.245) 1.104 ======================= Grid point 633 (204/216) ======================= q-point: ( 0.45 -0.09 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( -7.561 3.723 0.000) 8.428 0.800 ( -4.797 -3.760 -0.000) 6.095 1.233 ( -9.730 12.167 0.000) 15.579 1.409 ( -4.199 -7.580 -0.000) 8.665 1.498 ( 0.239 3.572 0.000) 3.580 1.502 ( 0.070 2.400 0.000) 2.401 1.589 ( 1.904 -2.635 -0.000) 3.251 1.622 ( 0.905 -3.768 -0.000) 3.876 1.958 ( -4.787 -0.858 -0.000) 4.863 1.980 ( -6.254 -3.598 -0.000) 7.215 2.132 ( 2.071 8.966 0.000) 9.202 2.247 ( 0.079 -4.512 -0.000) 4.512 2.450 ( -4.433 8.782 0.000) 9.838 2.537 ( -3.221 -1.900 -0.000) 3.740 2.979 ( 1.824 -0.592 0.000) 1.918 2.990 ( 4.096 -1.546 0.000) 4.379 3.782 ( 0.821 5.581 0.000) 5.641 3.867 ( 3.622 -4.686 -0.000) 5.922 4.563 ( 2.044 9.272 0.000) 9.494 4.728 ( 2.627 -10.906 -0.000) 11.218 5.922 ( 4.283 1.627 0.000) 4.582 5.953 ( 5.768 -2.124 0.000) 6.147 6.772 ( 6.516 9.732 0.000) 11.712 6.912 ( 4.575 -7.470 -0.000) 8.760 7.999 ( 1.386 2.943 0.000) 3.253 8.044 ( 1.377 -2.638 -0.000) 2.976 9.823 ( -1.699 1.862 0.000) 2.521 9.859 ( -1.554 -2.575 -0.000) 3.008 10.207 ( -5.235 9.767 0.000) 11.082 10.375 ( -3.621 -10.890 -0.000) 11.477 11.033 ( -0.113 4.444 0.000) 4.445 11.106 ( 0.258 -4.584 -0.000) 4.591 11.538 ( 4.605 2.558 0.000) 5.267 11.568 ( 4.702 -1.052 0.000) 4.819 22.128 ( 0.379 2.319 0.000) 2.350 22.167 ( 0.939 -2.346 -0.000) 2.527 22.807 ( 4.141 0.951 0.000) 4.249 22.822 ( 3.411 -0.934 0.000) 3.536 23.189 ( 3.580 5.734 0.000) 6.760 23.287 ( 4.207 -6.272 -0.000) 7.552 23.989 ( -2.992 4.359 0.000) 5.287 24.050 ( -4.652 -3.097 -0.000) 5.588 ======================= Grid point 645 (205/216) ======================= q-point: ( 0.45 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.465 ( -0.000 5.010 -0.000) 5.010 0.533 ( 0.000 -3.031 0.000) 3.031 1.093 ( -0.000 14.868 -0.000) 14.868 1.345 ( 0.000 -14.320 0.000) 14.320 1.463 ( -0.000 5.081 -0.000) 5.081 1.476 ( -0.000 1.751 -0.000) 1.751 1.677 ( -0.000 1.966 -0.000) 1.966 1.714 ( 0.000 -2.522 0.000) 2.522 1.812 ( 0.000 -3.803 0.000) 3.803 1.819 ( 0.000 -4.503 0.000) 4.503 2.209 ( -0.000 13.037 -0.000) 13.037 2.320 ( 0.000 -0.202 0.000) 0.202 2.362 ( -0.000 5.368 -0.000) 5.368 2.442 ( 0.000 -4.314 0.000) 4.314 3.006 ( -0.000 1.376 -0.000) 1.376 3.064 ( 0.000 -5.429 0.000) 5.429 3.794 ( -0.000 9.622 -0.000) 9.622 3.931 ( 0.000 -7.207 0.000) 7.207 4.606 ( -0.000 9.799 -0.000) 9.799 4.780 ( 0.000 -11.408 0.000) 11.408 6.005 ( -0.000 3.483 -0.000) 3.483 6.062 ( 0.000 -3.536 0.000) 3.536 6.876 ( -0.000 7.637 -0.000) 7.637 6.982 ( 0.000 -5.380 0.000) 5.380 8.023 ( -0.000 2.776 -0.000) 2.776 8.067 ( 0.000 -2.669 0.000) 2.669 9.792 ( -0.000 1.832 -0.000) 1.832 9.829 ( 0.000 -2.725 0.000) 2.725 10.116 ( -0.000 11.873 -0.000) 11.873 10.315 ( 0.000 -12.684 0.000) 12.684 11.027 ( -0.000 4.660 -0.000) 4.660 11.105 ( 0.000 -4.912 0.000) 4.912 11.625 ( -0.000 2.221 -0.000) 2.221 11.653 ( 0.000 -1.113 0.000) 1.113 22.138 ( -0.000 2.830 -0.000) 2.830 22.185 ( 0.000 -3.041 0.000) 3.041 22.844 ( -0.000 0.541 -0.000) 0.541 22.850 ( 0.000 -0.223 0.000) 0.223 23.314 ( -0.000 6.981 -0.000) 6.981 23.432 ( 0.000 -7.545 0.000) 7.545 23.911 ( -0.000 1.555 -0.000) 1.555 23.926 ( 0.000 -0.349 0.000) 0.349 ======================= Grid point 646 (206/216) ======================= q-point: ( 0.55 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( -8.984 -0.000 1.149) 9.058 0.702 ( -11.714 0.000 14.493) 18.635 1.231 ( -2.179 -0.000 -1.346) 2.562 1.257 ( -4.257 0.000 2.251) 4.815 1.472 ( 0.550 -0.000 -4.383) 4.417 1.511 ( -1.963 -0.000 0.359) 1.995 1.649 ( 2.615 0.000 2.041) 3.317 1.659 ( 4.292 0.000 3.510) 5.545 1.863 ( -6.594 -0.000 0.678) 6.629 1.871 ( -5.558 -0.000 1.500) 5.756 2.215 ( 3.877 -0.000 -3.485) 5.213 2.293 ( 3.972 0.000 7.310) 8.320 2.411 ( -4.000 -0.000 -4.276) 5.855 2.486 ( -3.621 0.000 6.023) 7.028 2.984 ( 3.188 -0.000 -4.891) 5.838 3.039 ( -0.266 0.000 2.815) 2.828 3.846 ( 1.437 -0.000 -2.609) 2.978 3.849 ( 1.163 -0.000 -2.204) 2.492 4.651 ( 3.159 -0.000 -2.983) 4.345 4.703 ( -0.036 0.000 3.942) 3.942 5.980 ( 4.020 -0.000 -5.403) 6.735 6.003 ( 2.919 -0.000 -2.212) 3.663 6.871 ( 3.600 -0.000 -8.622) 9.344 6.912 ( 1.260 -0.000 -2.895) 3.158 8.035 ( 1.246 0.000 -0.150) 1.255 8.049 ( 0.398 0.000 1.724) 1.769 9.808 ( -0.700 -0.000 -1.528) 1.681 9.823 ( -1.573 0.000 0.519) 1.656 10.234 ( -2.045 0.000 1.003) 2.277 10.246 ( -2.638 0.000 2.441) 3.594 11.053 ( 0.443 -0.000 -2.642) 2.679 11.073 ( -0.809 -0.000 0.005) 0.809 11.621 ( 3.053 0.000 1.303) 3.319 11.628 ( 2.710 0.000 2.228) 3.509 22.154 ( 0.623 -0.000 -0.460) 0.774 22.158 ( 0.327 0.000 0.103) 0.342 22.839 ( 0.959 -0.000 -1.315) 1.628 22.844 ( 0.156 -0.000 -0.675) 0.693 23.255 ( 7.330 -0.000 -10.129) 12.503 23.365 ( 2.726 0.000 4.409) 5.184 23.946 ( -2.914 -0.000 0.118) 2.916 23.987 ( -3.848 0.000 5.078) 6.371 ======================= Grid point 658 (207/216) ======================= q-point: ( 0.55 0.09 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( -0.000 5.496 16.563) 17.451 0.688 ( -0.000 -4.285 18.410) 18.902 1.108 ( -0.000 14.171 2.078) 14.323 1.342 ( -0.000 -11.881 -0.358) 11.886 1.472 ( -0.000 2.735 1.323) 3.038 1.472 ( 0.000 0.481 -0.273) 0.553 1.697 ( -0.000 2.135 2.643) 3.397 1.702 ( -0.000 -0.285 -1.397) 1.425 1.824 ( -0.000 -3.278 1.723) 3.703 1.853 ( -0.000 -5.130 4.354) 6.729 2.229 ( -0.000 8.796 2.723) 9.208 2.274 ( -0.000 2.327 -3.031) 3.821 2.437 ( -0.000 4.176 6.988) 8.140 2.475 ( -0.000 -1.893 4.733) 5.098 2.993 ( 0.000 1.121 -1.660) 2.003 3.047 ( 0.000 -5.246 -2.343) 5.745 3.758 ( -0.000 9.457 -4.967) 10.682 3.895 ( -0.000 -7.344 -4.961) 8.863 4.617 ( -0.000 8.923 1.429) 9.037 4.774 ( -0.000 -10.308 -0.764) 10.336 5.960 ( -0.000 2.828 -5.938) 6.576 6.007 ( -0.000 -2.954 -7.338) 7.910 6.792 ( -0.000 6.871 -11.317) 13.240 6.885 ( -0.000 -4.660 -12.937) 13.750 8.038 ( -0.000 2.542 1.915) 3.183 8.078 ( -0.000 -2.351 1.355) 2.714 9.782 ( -0.000 1.905 -1.166) 2.234 9.821 ( -0.000 -2.854 -0.914) 2.997 10.148 ( -0.000 11.362 4.214) 12.118 10.340 ( -0.000 -12.308 3.256) 12.731 11.009 ( -0.000 4.571 -2.384) 5.155 11.085 ( -0.000 -4.776 -2.661) 5.467 11.651 ( 0.000 2.071 3.359) 3.946 11.677 ( 0.000 -0.969 3.051) 3.201 22.136 ( -0.000 2.714 -0.275) 2.728 22.182 ( -0.000 -2.966 -0.490) 3.006 22.827 ( -0.000 0.667 -2.348) 2.441 22.835 ( -0.000 -0.316 -2.080) 2.104 23.260 ( -0.000 6.498 -6.368) 9.098 23.371 ( -0.000 -7.096 -7.290) 10.173 23.966 ( -0.000 1.391 6.593) 6.738 23.980 ( -0.000 -0.323 6.518) 6.526 ======================= Grid point 659 (208/216) ======================= q-point: ( 0.64 0.09 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( -1.700 0.000 14.012) 14.114 0.949 ( -8.545 0.000 17.821) 19.763 1.220 ( 0.269 -0.000 -0.121) 0.295 1.295 ( -4.962 0.000 3.055) 5.827 1.419 ( 3.393 -0.000 -2.087) 3.984 1.498 ( 0.328 -0.000 -1.479) 1.515 1.696 ( -0.883 0.000 3.754) 3.856 1.715 ( 2.091 0.000 3.052) 3.699 1.906 ( -4.423 0.000 3.456) 5.613 1.907 ( -7.948 0.000 6.018) 9.969 2.194 ( 3.464 0.000 0.548) 3.507 2.361 ( -2.674 -0.000 -2.622) 3.745 2.425 ( 2.327 0.000 10.896) 11.142 2.586 ( -2.931 0.000 7.960) 8.483 2.901 ( 6.386 -0.000 -6.243) 8.930 3.068 ( -3.931 0.000 1.459) 4.193 3.774 ( 1.225 -0.000 -7.341) 7.442 3.780 ( 0.640 -0.000 -7.391) 7.419 4.621 ( 5.142 0.000 -1.227) 5.286 4.753 ( -3.198 0.000 2.336) 3.960 5.857 ( 5.867 -0.000 -10.846) 12.332 5.922 ( 2.877 -0.000 -8.533) 9.005 6.667 ( 4.339 -0.000 -19.185) 19.669 6.797 ( -2.981 -0.000 -12.398) 12.751 8.041 ( 2.522 0.000 0.733) 2.626 8.082 ( -0.014 0.000 2.694) 2.694 9.785 ( -0.417 -0.000 -1.329) 1.393 9.824 ( -2.651 -0.000 -0.215) 2.660 10.275 ( -1.020 0.000 4.407) 4.524 10.299 ( -2.315 0.000 4.761) 5.294 11.001 ( 1.443 -0.000 -4.408) 4.638 11.054 ( -1.909 -0.000 -2.468) 3.121 11.660 ( 3.409 0.000 3.752) 5.070 11.679 ( 2.397 0.000 4.472) 5.074 22.145 ( 0.819 -0.000 -0.744) 1.106 22.158 ( -0.091 -0.000 -0.120) 0.151 22.808 ( 1.186 -0.000 -2.965) 3.193 22.819 ( -0.746 -0.000 -2.768) 2.867 23.096 ( 9.518 -0.000 -11.126) 14.642 23.380 ( -4.399 -0.000 -1.655) 4.700 23.992 ( 0.694 0.000 5.566) 5.609 24.072 ( -2.217 0.000 6.145) 6.532 ======================= Grid point 671 (209/216) ======================= q-point: ( 0.64 0.18 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( -0.000 6.776 18.199) 19.419 0.983 ( 0.000 -7.058 20.440) 21.624 1.150 ( -0.000 12.932 3.607) 13.425 1.337 ( 0.000 -5.828 -0.083) 5.829 1.478 ( 0.000 -2.424 1.325) 2.763 1.501 ( -0.000 -1.803 2.710) 3.255 1.683 ( 0.000 3.467 -0.848) 3.569 1.746 ( -0.000 -0.755 3.637) 3.715 1.870 ( -0.000 0.052 5.336) 5.336 1.935 ( 0.000 -5.187 6.837) 8.582 2.249 ( 0.000 3.765 -0.414) 3.788 2.278 ( -0.000 0.856 3.491) 3.595 2.546 ( 0.000 6.239 7.778) 9.971 2.584 ( 0.000 1.304 10.348) 10.430 2.970 ( -0.000 0.146 -0.853) 0.866 3.001 ( -0.000 -4.086 -3.585) 5.436 3.651 ( 0.000 8.706 -9.813) 13.119 3.786 ( -0.000 -7.688 -10.211) 12.781 4.638 ( 0.000 6.611 1.046) 6.693 4.753 ( 0.000 -7.476 -2.527) 7.891 5.845 ( 0.000 0.927 -9.448) 9.493 5.861 ( 0.000 -1.046 -12.361) 12.406 6.566 ( 0.000 4.819 -19.031) 19.632 6.628 ( 0.000 -2.736 -21.835) 22.006 8.070 ( 0.000 2.109 2.288) 3.111 8.101 ( 0.000 -1.684 1.644) 2.353 9.766 ( 0.000 2.163 -0.741) 2.286 9.810 ( -0.000 -3.237 -0.318) 3.253 10.229 ( 0.000 9.988 6.706) 12.031 10.402 ( -0.000 -11.299 5.006) 12.359 10.964 ( 0.000 4.132 -3.763) 5.589 11.032 ( -0.000 -4.315 -4.517) 6.247 11.712 ( -0.000 1.788 4.679) 5.009 11.732 ( 0.000 -0.630 4.292) 4.338 22.131 ( 0.000 2.374 -0.335) 2.397 22.172 ( 0.000 -2.730 -0.767) 2.836 22.777 ( 0.000 1.103 -4.498) 4.631 22.791 ( 0.000 -0.653 -3.925) 3.979 23.162 ( 0.000 5.100 -6.507) 8.268 23.254 ( 0.000 -6.225 -8.166) 10.268 24.071 ( 0.000 1.440 7.280) 7.421 24.085 ( 0.000 -0.309 7.311) 7.318 ======================= Grid point 672 (210/216) ======================= q-point: ( 0.73 0.18 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( 3.533 0.000 14.396) 14.824 1.167 ( -2.449 0.000 10.386) 10.671 1.229 ( 2.642 0.000 1.483) 3.030 1.360 ( -2.946 0.000 7.534) 8.090 1.426 ( 1.121 0.000 2.852) 3.064 1.475 ( 3.036 -0.000 -1.784) 3.521 1.747 ( 0.454 0.000 2.025) 2.076 1.747 ( -3.759 0.000 3.281) 4.990 1.975 ( -2.789 0.000 6.021) 6.635 2.036 ( -8.919 0.000 11.223) 14.335 2.221 ( 3.086 0.000 2.593) 4.031 2.332 ( -1.830 -0.000 -1.664) 2.473 2.600 ( 0.802 0.000 12.238) 12.264 2.700 ( -1.317 0.000 4.635) 4.819 2.836 ( 7.944 0.000 1.269) 8.044 3.100 ( -7.702 0.000 4.228) 8.786 3.634 ( 0.387 -0.000 -12.024) 12.030 3.637 ( 0.002 -0.000 -12.349) 12.349 4.611 ( 5.118 0.000 -0.489) 5.141 4.742 ( -3.674 -0.000 -5.144) 6.321 5.700 ( 5.899 -0.000 -9.384) 11.084 5.772 ( 3.123 -0.000 -11.680) 12.090 6.334 ( 5.451 -0.000 -26.053) 26.617 6.573 ( -7.777 -0.000 -17.807) 19.431 8.052 ( 3.717 0.000 0.731) 3.788 8.121 ( -0.423 0.000 2.550) 2.585 9.775 ( -0.318 -0.000 -0.037) 0.320 9.824 ( -3.269 -0.000 0.446) 3.300 10.353 ( -0.479 0.000 6.068) 6.087 10.377 ( -1.691 0.000 5.705) 5.950 10.930 ( 2.102 -0.000 -5.157) 5.569 11.005 ( -2.578 -0.000 -4.072) 4.819 11.719 ( 3.708 0.000 4.212) 5.611 11.746 ( 2.181 0.000 4.591) 5.082 22.134 ( 0.976 -0.000 -0.789) 1.255 22.156 ( -0.611 -0.000 -0.059) 0.614 22.754 ( 0.223 -0.000 -4.526) 4.532 22.768 ( -1.660 -0.000 -4.147) 4.467 22.950 ( 11.720 -0.000 -8.642) 14.561 23.341 ( -9.824 -0.000 -3.174) 10.324 24.083 ( 3.125 0.000 6.372) 7.097 24.154 ( -0.176 0.000 4.987) 4.990 ======================= Grid point 684 (211/216) ======================= q-point: ( 0.73 0.27 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( 0.000 7.157 13.423) 15.212 1.193 ( -0.000 5.543 4.822) 7.347 1.254 ( -0.000 -3.172 13.339) 13.711 1.345 ( -0.000 -0.502 1.143) 1.249 1.507 ( -0.000 -3.432 2.188) 4.071 1.545 ( -0.000 -4.346 3.015) 5.289 1.694 ( 0.000 5.520 3.215) 6.388 1.795 ( -0.000 -4.825 3.806) 6.145 1.994 ( 0.000 2.528 11.388) 11.666 2.047 ( -0.000 -3.129 8.625) 9.175 2.253 ( 0.000 4.304 0.583) 4.343 2.315 ( 0.000 -3.096 1.242) 3.336 2.638 ( -0.000 7.854 3.845) 8.745 2.743 ( 0.000 -3.674 7.740) 8.568 2.989 ( -0.000 1.301 5.982) 6.122 3.007 ( -0.000 0.560 7.317) 7.339 3.483 ( -0.000 6.343 -12.644) 14.146 3.602 ( 0.000 -7.813 -15.003) 16.916 4.625 ( -0.000 3.431 -4.059) 5.315 4.684 ( -0.000 -3.992 -7.840) 8.798 5.674 ( 0.000 2.331 -12.354) 12.572 5.709 ( -0.000 -1.921 -8.482) 8.696 6.270 ( -0.000 1.911 -20.958) 21.045 6.284 ( -0.000 0.107 -24.493) 24.493 8.100 ( -0.000 1.696 1.756) 2.441 8.121 ( -0.000 -1.007 1.165) 1.540 9.766 ( 0.000 2.431 0.794) 2.557 9.814 ( 0.000 -3.417 0.799) 3.509 10.332 ( -0.000 7.848 7.202) 10.652 10.475 ( -0.000 -9.801 4.796) 10.911 10.906 ( -0.000 3.105 -3.980) 5.048 10.960 ( -0.000 -3.407 -5.358) 6.349 11.777 ( 0.000 1.540 4.165) 4.441 11.792 ( -0.000 -0.233 3.794) 3.801 22.127 ( -0.000 1.835 -0.092) 1.837 22.161 ( -0.000 -2.305 -0.745) 2.422 22.704 ( 0.000 1.468 -5.210) 5.413 22.726 ( -0.000 -1.146 -4.900) 5.032 23.083 ( 0.000 3.092 -4.233) 5.242 23.148 ( -0.000 -4.864 -6.285) 7.947 24.166 ( 0.000 1.542 5.622) 5.829 24.179 ( -0.000 -0.113 5.459) 5.460 ======================= Grid point 685 (212/216) ======================= q-point: ( 0.82 0.27 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( 6.983 0.000 9.086) 11.459 1.243 ( 3.077 0.000 2.105) 3.728 1.262 ( 4.516 0.000 2.853) 5.342 1.445 ( 5.315 -0.000 -2.335) 5.805 1.474 ( -7.256 0.000 3.994) 8.282 1.525 ( 2.376 0.000 11.890) 12.125 1.792 ( 0.191 0.000 4.683) 4.687 1.802 ( -4.059 0.000 5.266) 6.649 2.072 ( 0.054 0.000 7.044) 7.044 2.180 ( -3.190 0.000 3.566) 4.785 2.283 ( -2.437 0.000 9.874) 10.171 2.306 ( -1.295 -0.000 -2.147) 2.508 2.676 ( 4.275 -0.000 -3.202) 5.341 2.729 ( -2.513 0.000 4.483) 5.139 3.009 ( 2.729 0.000 18.406) 18.607 3.241 ( -10.193 0.000 16.134) 19.085 3.432 ( -0.406 -0.000 -15.432) 15.437 3.434 ( -0.241 -0.000 -14.936) 14.938 4.574 ( 0.900 -0.000 -18.286) 18.308 4.592 ( 1.464 -0.000 -2.846) 3.200 5.598 ( 3.247 -0.000 -12.239) 12.663 5.626 ( 1.144 0.000 -0.343) 1.194 5.950 ( 9.177 -0.000 -25.256) 26.872 6.305 ( -11.528 -0.000 -18.667) 21.940 8.060 ( 4.562 0.000 0.417) 4.581 8.153 ( -0.911 0.000 1.787) 2.006 9.784 ( -0.167 0.000 1.225) 1.237 9.838 ( -3.448 0.000 1.410) 3.725 10.440 ( -0.638 0.000 5.731) 5.766 10.456 ( -1.352 0.000 5.010) 5.189 10.857 ( 2.602 -0.000 -4.797) 5.458 10.942 ( -2.687 -0.000 -4.540) 5.276 11.775 ( 3.899 0.000 3.277) 5.093 11.805 ( 2.084 0.000 3.409) 3.996 22.124 ( 1.148 -0.000 -0.573) 1.283 22.157 ( -1.199 -0.000 0.232) 1.221 22.680 ( -0.735 -0.000 -5.327) 5.377 22.706 ( -2.542 -0.000 -4.053) 4.785 22.853 ( 13.440 -0.000 -4.812) 14.275 23.299 ( -12.977 -0.000 -2.490) 13.214 24.164 ( 4.103 0.000 4.699) 6.238 24.213 ( 1.477 0.000 3.214) 3.537 ======================= Grid point 698 (213/216) ======================= q-point: ( 0.82 0.36 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 0.000 7.597 3.166) 8.230 1.248 ( 0.000 4.684 6.764) 8.228 1.367 ( 0.000 3.797 1.819) 4.210 1.392 ( -0.000 -5.467 5.279) 7.600 1.532 ( -0.000 -3.522 1.301) 3.755 1.576 ( -0.000 -5.674 0.841) 5.736 1.788 ( 0.000 5.977 9.306) 11.060 1.883 ( -0.000 -4.351 8.680) 9.709 2.136 ( 0.000 4.531 3.140) 5.512 2.176 ( 0.000 -0.983 7.694) 7.756 2.293 ( -0.000 -0.634 8.647) 8.670 2.316 ( -0.000 -2.223 0.156) 2.229 2.658 ( 0.000 4.861 0.045) 4.861 2.750 ( 0.000 -6.196 -3.202) 6.975 3.112 ( -0.000 9.352 -1.590) 9.487 3.216 ( -0.000 -1.276 17.403) 17.449 3.375 ( -0.000 -3.592 -11.711) 12.250 3.379 ( -0.000 -2.025 6.701) 7.000 4.490 ( -0.000 0.636 -15.131) 15.145 4.506 ( 0.000 -1.418 -17.032) 17.091 5.542 ( 0.000 5.656 -4.885) 7.473 5.622 ( -0.000 -4.322 -3.031) 5.279 5.954 ( -0.000 3.298 -20.180) 20.447 5.989 ( -0.000 -1.021 -17.230) 17.260 8.120 ( -0.000 1.263 1.099) 1.675 8.134 ( -0.000 -0.387 0.508) 0.639 9.787 ( 0.000 2.225 1.996) 2.989 9.828 ( -0.000 -2.687 0.913) 2.838 10.430 ( -0.000 4.809 6.151) 7.808 10.531 ( 0.000 -7.680 2.647) 8.124 10.854 ( -0.000 1.552 -2.973) 3.353 10.885 ( -0.000 -2.058 -4.697) 5.128 11.828 ( -0.000 1.291 2.769) 3.055 11.837 ( -0.000 0.173 2.374) 2.381 22.129 ( 0.000 1.121 0.305) 1.162 22.151 ( -0.000 -1.647 -0.585) 1.748 22.637 ( -0.000 1.126 -3.809) 3.972 22.657 ( -0.000 -1.322 -4.299) 4.498 23.038 ( -0.000 1.215 -2.093) 2.420 23.074 ( 0.000 -3.261 -3.935) 5.111 24.231 ( -0.000 1.463 3.448) 3.746 24.241 ( -0.000 0.294 3.084) 3.098 ======================= Grid point 699 (214/216) ======================= q-point: ( 0.91 0.36 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( 9.087 0.000 3.695) 9.810 1.261 ( 4.902 0.000 0.659) 4.946 1.308 ( 5.720 0.000 3.497) 6.705 1.407 ( 6.538 -0.000 -3.012) 7.198 1.518 ( -6.038 0.000 2.125) 6.401 1.650 ( -4.623 0.000 4.563) 6.496 1.884 ( 1.333 0.000 7.833) 7.946 1.928 ( -0.226 0.000 11.661) 11.664 2.136 ( 2.788 -0.000 -6.934) 7.474 2.164 ( 6.800 0.000 5.037) 8.463 2.261 ( -3.686 -0.000 -4.171) 5.567 2.472 ( -3.759 0.000 11.453) 12.055 2.678 ( 0.455 0.000 5.757) 5.775 2.747 ( -5.699 -0.000 -0.574) 5.728 3.136 ( -6.477 -0.000 -14.948) 16.291 3.218 ( -4.126 -0.000 -12.493) 13.157 3.377 ( 6.561 0.000 21.458) 22.438 3.542 ( -6.442 0.000 21.436) 22.383 4.240 ( 6.074 -0.000 -26.406) 27.096 4.509 ( -8.567 -0.000 -8.673) 12.191 5.422 ( 8.377 -0.000 -11.285) 14.054 5.667 ( 12.311 -0.000 -12.368) 17.450 5.680 ( -3.904 0.000 7.135) 8.133 6.051 ( -13.600 -0.000 -15.962) 20.970 8.064 ( 5.040 0.000 0.157) 5.043 8.172 ( -1.305 0.000 0.880) 1.574 9.804 ( -0.013 0.000 1.280) 1.280 9.860 ( -3.410 0.000 1.310) 3.653 10.510 ( -1.370 0.000 3.682) 3.928 10.514 ( -1.427 0.000 2.861) 3.197 10.799 ( 3.085 -0.000 -2.984) 4.292 10.882 ( -2.226 -0.000 -3.314) 3.992 11.811 ( 3.998 0.000 1.724) 4.354 11.843 ( 2.054 0.000 1.754) 2.701 22.118 ( 1.319 0.000 -0.259) 1.344 22.162 ( -1.764 -0.000 0.364) 1.801 22.613 ( -0.422 -0.000 -3.581) 3.606 22.658 ( -3.208 -0.000 -2.477) 4.053 22.805 ( 13.652 0.000 -2.039) 13.804 23.271 ( -14.604 -0.000 -1.303) 14.662 24.216 ( 4.426 0.000 2.389) 5.030 24.247 ( 2.516 0.000 1.516) 2.938 ======================= Grid point 701 (215/216) ======================= q-point: ( 1.00 0.45 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( 9.751 0.000 -0.000) 9.751 1.265 ( 5.337 0.000 -0.000) 5.337 1.357 ( 2.571 0.000 -0.000) 2.571 1.361 ( 10.483 0.000 -0.000) 10.483 1.534 ( -5.861 -0.000 0.000) 5.861 1.678 ( -6.987 -0.000 0.000) 6.987 1.994 ( 2.523 0.000 -0.000) 2.523 2.030 ( 3.024 0.000 -0.000) 3.024 2.054 ( -0.525 -0.000 0.000) 0.525 2.178 ( 12.866 0.000 -0.000) 12.866 2.228 ( -5.619 -0.000 0.000) 5.619 2.543 ( 1.622 0.000 -0.000) 1.622 2.740 ( -6.602 -0.000 0.000) 6.602 2.868 ( 7.242 0.000 -0.000) 7.242 2.879 ( -19.021 -0.000 0.000) 19.021 3.116 ( -5.180 -0.000 0.000) 5.180 3.666 ( 2.443 0.000 -0.000) 2.443 3.739 ( -3.481 -0.000 0.000) 3.481 3.929 ( 10.922 0.000 -0.000) 10.922 4.411 ( -17.818 -0.000 0.000) 17.818 5.329 ( 15.268 0.000 -0.000) 15.268 5.584 ( 11.151 0.000 -0.000) 11.151 5.784 ( -1.377 -0.000 0.000) 1.377 5.884 ( -18.479 -0.000 0.000) 18.479 8.065 ( 5.193 0.000 -0.000) 5.193 8.178 ( -1.453 -0.000 0.000) 1.453 9.814 ( 0.051 0.000 -0.000) 0.051 9.870 ( -3.361 -0.000 0.000) 3.361 10.535 ( -1.578 -0.000 0.000) 1.578 10.539 ( -1.907 -0.000 0.000) 1.907 10.776 ( 3.349 0.000 -0.000) 3.349 10.856 ( -1.807 -0.000 0.000) 1.807 11.824 ( 4.029 0.000 -0.000) 4.029 11.855 ( 2.049 0.000 -0.000) 2.049 22.116 ( 1.396 0.000 -0.000) 1.396 22.165 ( -2.026 -0.000 0.000) 2.026 22.586 ( -0.121 -0.000 0.000) 0.121 22.639 ( -3.458 -0.000 0.000) 3.458 22.791 ( 13.575 0.000 -0.000) 13.575 23.262 ( -15.109 -0.000 0.000) 15.109 24.233 ( 4.496 0.000 -0.000) 4.496 24.258 ( 2.869 0.000 -0.000) 2.869 ======================= Grid point 714 (216/216) ======================= q-point: ( 0.91 0.45 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( -0.000 5.837 2.029) 6.179 1.298 ( 0.000 3.335 0.638) 3.395 1.400 ( 0.000 4.489 2.550) 5.163 1.424 ( 0.000 -0.761 -0.210) 0.790 1.550 ( -0.000 -5.248 1.385) 5.427 1.570 ( -0.000 -6.244 -1.209) 6.360 1.938 ( -0.000 6.681 10.575) 12.508 2.026 ( -0.000 -2.522 9.251) 9.588 2.082 ( 0.000 5.368 -6.553) 8.471 2.169 ( 0.000 -4.072 -7.233) 8.301 2.404 ( -0.000 2.764 9.355) 9.755 2.448 ( 0.000 -2.714 6.368) 6.922 2.670 ( 0.000 0.683 2.422) 2.517 2.708 ( 0.000 -3.911 -2.345) 4.560 3.000 ( -0.000 4.196 -5.192) 6.675 3.086 ( -0.000 -5.987 -14.907) 16.064 3.604 ( 0.000 2.021 20.731) 20.830 3.625 ( 0.000 -0.582 17.809) 17.819 4.222 ( 0.000 -0.213 -17.796) 17.797 4.226 ( -0.000 -0.655 -18.072) 18.084 5.540 ( -0.000 5.818 4.170) 7.158 5.608 ( -0.000 -2.112 -1.423) 2.547 5.737 ( 0.000 3.143 -7.194) 7.850 5.786 ( 0.000 -2.508 -10.319) 10.619 8.132 ( 0.000 0.762 0.555) 0.943 8.137 ( 0.000 0.202 -0.061) 0.211 9.817 ( 0.000 1.078 1.811) 2.108 9.833 ( 0.000 -0.894 -0.363) 0.965 10.505 ( -0.000 0.585 4.157) 4.198 10.544 ( -0.000 -4.195 -0.978) 4.307 10.825 ( -0.000 0.093 -0.872) 0.876 10.834 ( -0.000 -0.839 -2.117) 2.277 11.856 ( -0.000 0.971 1.090) 1.460 11.859 ( 0.000 0.583 0.656) 0.878 22.135 ( 0.000 0.238 0.550) 0.599 22.143 ( -0.000 -0.751 -0.548) 0.930 22.601 ( -0.000 0.170 -0.991) 1.005 22.610 ( 0.000 -0.830 -2.102) 2.260 23.022 ( 0.000 -0.336 -0.184) 0.383 23.033 ( 0.000 -1.758 -1.780) 2.501 24.266 ( -0.000 1.187 1.293) 1.756 24.269 ( -0.000 0.771 0.832) 1.134 =================== 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 3/55902 10.0 18.434 7.298 11.493 0.000 0.000 -0.000 3/55902 20.0 4.714 2.468 4.249 0.000 0.000 -0.000 3/55902 30.0 2.575 1.510 2.721 0.000 0.000 -0.000 3/55902 40.0 1.800 1.101 2.108 0.000 0.000 -0.000 3/55902 50.0 1.405 0.871 1.770 0.000 0.000 -0.000 3/55902 60.0 1.164 0.725 1.548 0.000 0.000 -0.000 3/55902 70.0 1.000 0.623 1.385 0.000 0.000 -0.000 3/55902 80.0 0.880 0.549 1.258 0.000 0.000 -0.000 3/55902 90.0 0.789 0.492 1.154 0.000 0.000 -0.000 3/55902 100.0 0.715 0.448 1.066 0.000 0.000 -0.000 3/55902 110.0 0.656 0.412 0.991 0.000 0.000 -0.000 3/55902 120.0 0.606 0.383 0.927 0.000 0.000 -0.000 3/55902 130.0 0.564 0.358 0.870 0.000 0.000 -0.000 3/55902 140.0 0.527 0.337 0.820 0.000 0.000 -0.000 3/55902 150.0 0.496 0.318 0.775 0.000 0.000 -0.000 3/55902 160.0 0.468 0.302 0.736 0.000 0.000 -0.000 3/55902 170.0 0.444 0.287 0.700 0.000 0.000 -0.000 3/55902 180.0 0.422 0.274 0.667 0.000 0.000 -0.000 3/55902 190.0 0.402 0.263 0.638 0.000 0.000 -0.000 3/55902 200.0 0.384 0.252 0.611 0.000 0.000 -0.000 3/55902 210.0 0.368 0.242 0.587 0.000 0.000 -0.000 3/55902 220.0 0.353 0.233 0.564 0.000 0.000 -0.000 3/55902 230.0 0.340 0.225 0.543 0.000 0.000 -0.000 3/55902 240.0 0.327 0.218 0.524 0.000 0.000 -0.000 3/55902 250.0 0.316 0.211 0.506 0.000 0.000 -0.000 3/55902 260.0 0.305 0.204 0.489 0.000 0.000 -0.000 3/55902 270.0 0.295 0.198 0.473 0.000 0.000 -0.000 3/55902 280.0 0.286 0.192 0.459 0.000 0.000 -0.000 3/55902 290.0 0.277 0.187 0.445 0.000 0.000 -0.000 3/55902 300.0 0.269 0.181 0.432 0.000 0.000 -0.000 3/55902 310.0 0.262 0.177 0.420 0.000 0.000 -0.000 3/55902 320.0 0.254 0.172 0.408 0.000 0.000 -0.000 3/55902 330.0 0.248 0.168 0.398 0.000 0.000 -0.000 3/55902 340.0 0.241 0.163 0.387 0.000 0.000 -0.000 3/55902 350.0 0.235 0.160 0.377 0.000 0.000 -0.000 3/55902 360.0 0.229 0.156 0.368 0.000 0.000 -0.000 3/55902 370.0 0.224 0.152 0.359 0.000 0.000 -0.000 3/55902 380.0 0.218 0.149 0.351 0.000 0.000 -0.000 3/55902 390.0 0.213 0.145 0.343 0.000 0.000 -0.000 3/55902 400.0 0.209 0.142 0.335 0.000 0.000 -0.000 3/55902 410.0 0.204 0.139 0.328 0.000 0.000 -0.000 3/55902 420.0 0.200 0.136 0.321 0.000 0.000 -0.000 3/55902 430.0 0.195 0.134 0.314 0.000 0.000 -0.000 3/55902 440.0 0.191 0.131 0.307 0.000 0.000 -0.000 3/55902 450.0 0.188 0.128 0.301 0.000 0.000 -0.000 3/55902 460.0 0.184 0.126 0.295 0.000 0.000 -0.000 3/55902 470.0 0.180 0.124 0.289 0.000 0.000 -0.000 3/55902 480.0 0.177 0.121 0.284 0.000 0.000 -0.000 3/55902 490.0 0.173 0.119 0.278 0.000 0.000 -0.000 3/55902 500.0 0.170 0.117 0.273 0.000 0.000 -0.000 3/55902 510.0 0.167 0.115 0.268 0.000 0.000 -0.000 3/55902 520.0 0.164 0.113 0.264 0.000 0.000 -0.000 3/55902 530.0 0.161 0.111 0.259 0.000 0.000 -0.000 3/55902 540.0 0.159 0.109 0.254 0.000 0.000 -0.000 3/55902 550.0 0.156 0.107 0.250 0.000 0.000 -0.000 3/55902 560.0 0.153 0.106 0.246 0.000 0.000 -0.000 3/55902 570.0 0.151 0.104 0.242 0.000 0.000 -0.000 3/55902 580.0 0.148 0.102 0.238 0.000 0.000 -0.000 3/55902 590.0 0.146 0.101 0.234 0.000 0.000 -0.000 3/55902 600.0 0.144 0.099 0.231 0.000 0.000 -0.000 3/55902 610.0 0.142 0.098 0.227 0.000 0.000 -0.000 3/55902 620.0 0.139 0.096 0.224 0.000 0.000 -0.000 3/55902 630.0 0.137 0.095 0.220 0.000 0.000 -0.000 3/55902 640.0 0.135 0.093 0.217 0.000 0.000 -0.000 3/55902 650.0 0.133 0.092 0.214 0.000 0.000 -0.000 3/55902 660.0 0.131 0.091 0.211 0.000 0.000 -0.000 3/55902 670.0 0.130 0.090 0.208 0.000 0.000 -0.000 3/55902 680.0 0.128 0.088 0.205 0.000 0.000 -0.000 3/55902 690.0 0.126 0.087 0.202 0.000 0.000 -0.000 3/55902 700.0 0.124 0.086 0.199 0.000 0.000 -0.000 3/55902 710.0 0.123 0.085 0.197 0.000 0.000 -0.000 3/55902 720.0 0.121 0.084 0.194 0.000 0.000 -0.000 3/55902 730.0 0.119 0.083 0.191 0.000 0.000 -0.000 3/55902 740.0 0.118 0.082 0.189 0.000 0.000 -0.000 3/55902 750.0 0.116 0.081 0.187 0.000 0.000 -0.000 3/55902 760.0 0.115 0.080 0.184 0.000 0.000 -0.000 3/55902 770.0 0.113 0.079 0.182 0.000 0.000 -0.000 3/55902 780.0 0.112 0.078 0.180 0.000 0.000 -0.000 3/55902 790.0 0.111 0.077 0.177 0.000 0.000 -0.000 3/55902 800.0 0.109 0.076 0.175 0.000 0.000 -0.000 3/55902 810.0 0.108 0.075 0.173 0.000 0.000 -0.000 3/55902 820.0 0.107 0.074 0.171 0.000 0.000 -0.000 3/55902 830.0 0.106 0.073 0.169 0.000 0.000 -0.000 3/55902 840.0 0.104 0.072 0.167 0.000 0.000 -0.000 3/55902 850.0 0.103 0.072 0.165 0.000 0.000 -0.000 3/55902 860.0 0.102 0.071 0.164 0.000 0.000 -0.000 3/55902 870.0 0.101 0.070 0.162 0.000 0.000 -0.000 3/55902 880.0 0.100 0.069 0.160 0.000 0.000 -0.000 3/55902 890.0 0.099 0.069 0.158 0.000 0.000 -0.000 3/55902 900.0 0.098 0.068 0.156 0.000 0.000 -0.000 3/55902 910.0 0.097 0.067 0.155 0.000 0.000 -0.000 3/55902 920.0 0.096 0.066 0.153 0.000 0.000 -0.000 3/55902 930.0 0.095 0.066 0.152 0.000 0.000 -0.000 3/55902 940.0 0.094 0.065 0.150 0.000 0.000 -0.000 3/55902 950.0 0.093 0.064 0.148 0.000 0.000 -0.000 3/55902 960.0 0.092 0.064 0.147 0.000 0.000 -0.000 3/55902 970.0 0.091 0.063 0.145 0.000 0.000 -0.000 3/55902 980.0 0.090 0.062 0.144 0.000 0.000 -0.000 3/55902 990.0 0.089 0.062 0.143 0.000 0.000 -0.000 3/55902 1000.0 0.088 0.061 0.141 0.000 0.000 -0.000 3/55902 Thermal conductivity related properties were written into "kappa-m111111.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:00:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|