----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 03:06:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [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 4.965950804999999 12.842484054999998 b 2.839239834999999 0.000000000000000 12.842484054999998 c 2.839239834999999 4.965950804999999 0.000000000000000 Atomic positions (fractional): *1 S 0.60639297343348 0.28219012305382 0.72612198830535 32.065 2 S 0.38529491520735 0.72612198830535 0.28219012305382 32.065 3 S 0.72612198830535 0.38529491520735 0.60639297343348 32.065 4 S 0.28219012305382 0.60639297343348 0.38529491520735 32.065 5 S 0.64360702656652 0.96780987694618 0.52387801169465 32.065 6 S 0.86470508479265 0.52387801169465 0.96780987694618 32.065 7 S 0.96780987694618 0.64360702656652 0.86470508479265 32.065 8 S 0.52387801169465 0.86470508479265 0.64360702656652 32.065 *9 K 0.92183711543049 0.92183711543049 0.07816288456951 39.098 10 K 0.07816288456951 0.07816288456951 0.92183711543049 39.098 11 K 0.32816288456951 0.32816288456951 0.17183711543049 39.098 12 K 0.17183711543049 0.17183711543049 0.32816288456951 39.098 *13 Ni 0.50074625143037 0.50074625143037 0.99925374856963 58.693 14 Ni 0.99925374856963 0.99925374856963 0.50074625143037 58.693 15 Ni 0.74925374856963 0.74925374856963 0.25074625143037 58.693 16 Ni 0.25074625143037 0.25074625143037 0.74925374856963 58.693 *17 Ni 0.50000000000000 0.50000000000000 0.50000000000000 58.693 18 Ni 0.75000000000000 0.75000000000000 0.75000000000000 58.693 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.678479669999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.931901609999999 0.000000000000000 c 0.000000000000000 0.000000000000000 25.684968109999996 Atomic positions (fractional): *1 S 0.00415605567959 0.66625748086941 0.94429154824365 32.065 > 1 2 S 0.00415605567959 0.83374251913059 0.55570845175635 32.065 > 2 3 S 0.49584394432041 0.66625748086941 0.55570845175635 32.065 > 3 4 S 0.49584394432041 0.83374251913059 0.94429154824365 32.065 > 4 5 S 0.74584394432041 0.58374251913059 0.80570845175635 32.065 > 5 6 S 0.74584394432041 0.91625748086941 0.69429154824365 32.065 > 6 7 S 0.75415605567959 0.91625748086941 0.80570845175635 32.065 > 7 8 S 0.75415605567959 0.58374251913059 0.69429154824365 32.065 > 8 9 S 0.00415605567959 0.16625748086941 0.44429154824365 32.065 > 1 10 S 0.00415605567959 0.33374251913059 0.05570845175635 32.065 > 2 11 S 0.49584394432041 0.16625748086941 0.05570845175635 32.065 > 3 12 S 0.49584394432041 0.33374251913059 0.44429154824365 32.065 > 4 13 S 0.74584394432041 0.08374251913059 0.30570845175635 32.065 > 5 14 S 0.74584394432041 0.41625748086941 0.19429154824365 32.065 > 6 15 S 0.75415605567959 0.41625748086941 0.30570845175635 32.065 > 7 16 S 0.75415605567959 0.08374251913059 0.19429154824365 32.065 > 8 17 S 0.50415605567959 0.66625748086941 0.44429154824365 32.065 > 1 18 S 0.50415605567959 0.83374251913059 0.05570845175635 32.065 > 2 19 S 0.99584394432041 0.66625748086941 0.05570845175635 32.065 > 3 20 S 0.99584394432041 0.83374251913059 0.44429154824365 32.065 > 4 21 S 0.24584394432041 0.58374251913059 0.30570845175635 32.065 > 5 22 S 0.24584394432041 0.91625748086941 0.19429154824365 32.065 > 6 23 S 0.25415605567959 0.91625748086941 0.30570845175635 32.065 > 7 24 S 0.25415605567959 0.58374251913059 0.19429154824365 32.065 > 8 25 S 0.50415605567959 0.16625748086941 0.94429154824365 32.065 > 1 26 S 0.50415605567959 0.33374251913059 0.55570845175635 32.065 > 2 27 S 0.99584394432041 0.16625748086941 0.55570845175635 32.065 > 3 28 S 0.99584394432041 0.33374251913059 0.94429154824365 32.065 > 4 29 S 0.24584394432041 0.08374251913059 0.80570845175635 32.065 > 5 30 S 0.24584394432041 0.41625748086941 0.69429154824365 32.065 > 6 31 S 0.25415605567959 0.41625748086941 0.80570845175635 32.065 > 7 32 S 0.25415605567959 0.08374251913059 0.69429154824365 32.065 > 8 *33 K 0.00000000000000 0.00000000000000 0.92183711543049 39.098 > 9 34 K 0.50000000000000 0.00000000000000 0.57816288456951 39.098 > 10 35 K 0.25000000000000 0.75000000000000 0.82816288456951 39.098 > 11 36 K 0.25000000000000 0.75000000000000 0.67183711543049 39.098 > 12 37 K 0.00000000000000 0.50000000000000 0.42183711543049 39.098 > 9 38 K 0.50000000000000 0.50000000000000 0.07816288456951 39.098 > 10 39 K 0.25000000000000 0.25000000000000 0.32816288456951 39.098 > 11 40 K 0.25000000000000 0.25000000000000 0.17183711543049 39.098 > 12 41 K 0.50000000000000 0.00000000000000 0.42183711543049 39.098 > 9 42 K 0.00000000000000 0.00000000000000 0.07816288456951 39.098 > 10 43 K 0.75000000000000 0.75000000000000 0.32816288456951 39.098 > 11 44 K 0.75000000000000 0.75000000000000 0.17183711543049 39.098 > 12 45 K 0.50000000000000 0.50000000000000 0.92183711543049 39.098 > 9 46 K 0.00000000000000 0.50000000000000 0.57816288456951 39.098 > 10 47 K 0.75000000000000 0.25000000000000 0.82816288456951 39.098 > 11 48 K 0.75000000000000 0.25000000000000 0.67183711543049 39.098 > 12 *49 Ni 0.75000000000000 0.75000000000000 0.50074625143037 58.693 > 13 50 Ni 0.75000000000000 0.75000000000000 0.99925374856963 58.693 > 14 51 Ni 0.00000000000000 0.00000000000000 0.74925374856963 58.693 > 15 52 Ni 0.50000000000000 0.00000000000000 0.75074625143037 58.693 > 16 *53 Ni 0.50000000000000 0.00000000000000 0.00000000000000 58.693 > 17 54 Ni 0.75000000000000 0.75000000000000 0.75000000000000 58.693 > 18 55 Ni 0.75000000000000 0.25000000000000 0.00074625143037 58.693 > 13 56 Ni 0.75000000000000 0.25000000000000 0.49925374856963 58.693 > 14 57 Ni 0.00000000000000 0.50000000000000 0.24925374856963 58.693 > 15 58 Ni 0.50000000000000 0.50000000000000 0.25074625143037 58.693 > 16 59 Ni 0.50000000000000 0.50000000000000 0.50000000000000 58.693 > 17 60 Ni 0.75000000000000 0.25000000000000 0.25000000000000 58.693 > 18 61 Ni 0.25000000000000 0.75000000000000 0.00074625143037 58.693 > 13 62 Ni 0.25000000000000 0.75000000000000 0.49925374856963 58.693 > 14 63 Ni 0.50000000000000 0.00000000000000 0.24925374856963 58.693 > 15 64 Ni 0.00000000000000 0.00000000000000 0.25074625143037 58.693 > 16 65 Ni 0.00000000000000 0.00000000000000 0.50000000000000 58.693 > 17 66 Ni 0.25000000000000 0.75000000000000 0.25000000000000 58.693 > 18 67 Ni 0.25000000000000 0.25000000000000 0.50074625143037 58.693 > 13 68 Ni 0.25000000000000 0.25000000000000 0.99925374856963 58.693 > 14 69 Ni 0.50000000000000 0.50000000000000 0.74925374856963 58.693 > 15 70 Ni 0.00000000000000 0.50000000000000 0.75074625143037 58.693 > 16 71 Ni 0.00000000000000 0.50000000000000 0.00000000000000 58.693 > 17 72 Ni 0.25000000000000 0.25000000000000 0.75000000000000 58.693 > 18 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.356959339999998 0.000000000000000 0.000000000000000 b 0.000000000000000 9.931901609999999 0.000000000000000 c 0.000000000000000 0.000000000000000 25.684968109999996 Atomic positions (fractional): *1 S 0.00207802783979 0.66625748086941 0.94429154824365 32.065 > 1 2 S 0.50207802783979 0.66625748086941 0.94429154824365 32.065 > 1 3 S 0.00207802783979 0.83374251913059 0.55570845175635 32.065 > 2 4 S 0.50207802783979 0.83374251913059 0.55570845175635 32.065 > 2 5 S 0.24792197216021 0.66625748086941 0.55570845175635 32.065 > 3 6 S 0.74792197216021 0.66625748086941 0.55570845175635 32.065 > 3 7 S 0.24792197216021 0.83374251913059 0.94429154824365 32.065 > 4 8 S 0.74792197216021 0.83374251913059 0.94429154824365 32.065 > 4 9 S 0.37292197216021 0.58374251913059 0.80570845175635 32.065 > 5 10 S 0.87292197216021 0.58374251913059 0.80570845175635 32.065 > 5 11 S 0.37292197216021 0.91625748086941 0.69429154824365 32.065 > 6 12 S 0.87292197216021 0.91625748086941 0.69429154824365 32.065 > 6 13 S 0.37707802783979 0.91625748086941 0.80570845175635 32.065 > 7 14 S 0.87707802783979 0.91625748086941 0.80570845175635 32.065 > 7 15 S 0.37707802783979 0.58374251913059 0.69429154824365 32.065 > 8 16 S 0.87707802783979 0.58374251913059 0.69429154824365 32.065 > 8 17 S 0.00207802783979 0.16625748086941 0.44429154824365 32.065 > 1 18 S 0.50207802783979 0.16625748086941 0.44429154824365 32.065 > 1 19 S 0.00207802783979 0.33374251913059 0.05570845175635 32.065 > 2 20 S 0.50207802783979 0.33374251913059 0.05570845175635 32.065 > 2 21 S 0.24792197216021 0.16625748086941 0.05570845175635 32.065 > 3 22 S 0.74792197216021 0.16625748086941 0.05570845175635 32.065 > 3 23 S 0.24792197216021 0.33374251913059 0.44429154824365 32.065 > 4 24 S 0.74792197216021 0.33374251913059 0.44429154824365 32.065 > 4 25 S 0.37292197216021 0.08374251913059 0.30570845175635 32.065 > 5 26 S 0.87292197216021 0.08374251913059 0.30570845175635 32.065 > 5 27 S 0.37292197216021 0.41625748086941 0.19429154824365 32.065 > 6 28 S 0.87292197216021 0.41625748086941 0.19429154824365 32.065 > 6 29 S 0.37707802783979 0.41625748086941 0.30570845175635 32.065 > 7 30 S 0.87707802783979 0.41625748086941 0.30570845175635 32.065 > 7 31 S 0.37707802783979 0.08374251913059 0.19429154824365 32.065 > 8 32 S 0.87707802783979 0.08374251913059 0.19429154824365 32.065 > 8 33 S 0.25207802783979 0.66625748086941 0.44429154824365 32.065 > 1 34 S 0.75207802783979 0.66625748086941 0.44429154824365 32.065 > 1 35 S 0.25207802783979 0.83374251913059 0.05570845175635 32.065 > 2 36 S 0.75207802783979 0.83374251913059 0.05570845175635 32.065 > 2 37 S 0.49792197216021 0.66625748086941 0.05570845175635 32.065 > 3 38 S 0.99792197216021 0.66625748086941 0.05570845175635 32.065 > 3 39 S 0.49792197216021 0.83374251913059 0.44429154824365 32.065 > 4 40 S 0.99792197216021 0.83374251913059 0.44429154824365 32.065 > 4 41 S 0.12292197216021 0.58374251913059 0.30570845175635 32.065 > 5 42 S 0.62292197216021 0.58374251913059 0.30570845175635 32.065 > 5 43 S 0.12292197216021 0.91625748086941 0.19429154824365 32.065 > 6 44 S 0.62292197216021 0.91625748086941 0.19429154824365 32.065 > 6 45 S 0.12707802783979 0.91625748086941 0.30570845175635 32.065 > 7 46 S 0.62707802783979 0.91625748086941 0.30570845175635 32.065 > 7 47 S 0.12707802783979 0.58374251913059 0.19429154824365 32.065 > 8 48 S 0.62707802783979 0.58374251913059 0.19429154824365 32.065 > 8 49 S 0.25207802783979 0.16625748086941 0.94429154824365 32.065 > 1 50 S 0.75207802783979 0.16625748086941 0.94429154824365 32.065 > 1 51 S 0.25207802783979 0.33374251913059 0.55570845175635 32.065 > 2 52 S 0.75207802783979 0.33374251913059 0.55570845175635 32.065 > 2 53 S 0.49792197216021 0.16625748086941 0.55570845175635 32.065 > 3 54 S 0.99792197216021 0.16625748086941 0.55570845175635 32.065 > 3 55 S 0.49792197216021 0.33374251913059 0.94429154824365 32.065 > 4 56 S 0.99792197216021 0.33374251913059 0.94429154824365 32.065 > 4 57 S 0.12292197216021 0.08374251913059 0.80570845175635 32.065 > 5 58 S 0.62292197216021 0.08374251913059 0.80570845175635 32.065 > 5 59 S 0.12292197216021 0.41625748086941 0.69429154824365 32.065 > 6 60 S 0.62292197216021 0.41625748086941 0.69429154824365 32.065 > 6 61 S 0.12707802783979 0.41625748086941 0.80570845175635 32.065 > 7 62 S 0.62707802783979 0.41625748086941 0.80570845175635 32.065 > 7 63 S 0.12707802783979 0.08374251913059 0.69429154824365 32.065 > 8 64 S 0.62707802783979 0.08374251913059 0.69429154824365 32.065 > 8 *65 K 0.00000000000000 0.00000000000000 0.92183711543049 39.098 > 9 66 K 0.50000000000000 0.00000000000000 0.92183711543049 39.098 > 9 67 K 0.25000000000000 0.00000000000000 0.57816288456951 39.098 > 10 68 K 0.75000000000000 0.00000000000000 0.57816288456951 39.098 > 10 69 K 0.12500000000000 0.75000000000000 0.82816288456951 39.098 > 11 70 K 0.62500000000000 0.75000000000000 0.82816288456951 39.098 > 11 71 K 0.12500000000000 0.75000000000000 0.67183711543049 39.098 > 12 72 K 0.62500000000000 0.75000000000000 0.67183711543049 39.098 > 12 73 K 0.00000000000000 0.50000000000000 0.42183711543049 39.098 > 9 74 K 0.50000000000000 0.50000000000000 0.42183711543049 39.098 > 9 75 K 0.25000000000000 0.50000000000000 0.07816288456951 39.098 > 10 76 K 0.75000000000000 0.50000000000000 0.07816288456951 39.098 > 10 77 K 0.12500000000000 0.25000000000000 0.32816288456951 39.098 > 11 78 K 0.62500000000000 0.25000000000000 0.32816288456951 39.098 > 11 79 K 0.12500000000000 0.25000000000000 0.17183711543049 39.098 > 12 80 K 0.62500000000000 0.25000000000000 0.17183711543049 39.098 > 12 81 K 0.25000000000000 0.00000000000000 0.42183711543049 39.098 > 9 82 K 0.75000000000000 0.00000000000000 0.42183711543049 39.098 > 9 83 K 0.00000000000000 0.00000000000000 0.07816288456951 39.098 > 10 84 K 0.50000000000000 0.00000000000000 0.07816288456951 39.098 > 10 85 K 0.37500000000000 0.75000000000000 0.32816288456951 39.098 > 11 86 K 0.87500000000000 0.75000000000000 0.32816288456951 39.098 > 11 87 K 0.37500000000000 0.75000000000000 0.17183711543049 39.098 > 12 88 K 0.87500000000000 0.75000000000000 0.17183711543049 39.098 > 12 89 K 0.25000000000000 0.50000000000000 0.92183711543049 39.098 > 9 90 K 0.75000000000000 0.50000000000000 0.92183711543049 39.098 > 9 91 K 0.00000000000000 0.50000000000000 0.57816288456951 39.098 > 10 92 K 0.50000000000000 0.50000000000000 0.57816288456951 39.098 > 10 93 K 0.37500000000000 0.25000000000000 0.82816288456951 39.098 > 11 94 K 0.87500000000000 0.25000000000000 0.82816288456951 39.098 > 11 95 K 0.37500000000000 0.25000000000000 0.67183711543049 39.098 > 12 96 K 0.87500000000000 0.25000000000000 0.67183711543049 39.098 > 12 *97 Ni 0.37500000000000 0.75000000000000 0.50074625143037 58.693 > 13 98 Ni 0.87500000000000 0.75000000000000 0.50074625143037 58.693 > 13 99 Ni 0.37500000000000 0.75000000000000 0.99925374856963 58.693 > 14 100 Ni 0.87500000000000 0.75000000000000 0.99925374856963 58.693 > 14 101 Ni 0.00000000000000 0.00000000000000 0.74925374856963 58.693 > 15 102 Ni 0.50000000000000 0.00000000000000 0.74925374856963 58.693 > 15 103 Ni 0.25000000000000 0.00000000000000 0.75074625143037 58.693 > 16 104 Ni 0.75000000000000 0.00000000000000 0.75074625143037 58.693 > 16 *105 Ni 0.25000000000000 0.00000000000000 0.00000000000000 58.693 > 17 106 Ni 0.75000000000000 0.00000000000000 0.00000000000000 58.693 > 17 107 Ni 0.37500000000000 0.75000000000000 0.75000000000000 58.693 > 18 108 Ni 0.87500000000000 0.75000000000000 0.75000000000000 58.693 > 18 109 Ni 0.37500000000000 0.25000000000000 0.00074625143037 58.693 > 13 110 Ni 0.87500000000000 0.25000000000000 0.00074625143037 58.693 > 13 111 Ni 0.37500000000000 0.25000000000000 0.49925374856963 58.693 > 14 112 Ni 0.87500000000000 0.25000000000000 0.49925374856963 58.693 > 14 113 Ni 0.00000000000000 0.50000000000000 0.24925374856963 58.693 > 15 114 Ni 0.50000000000000 0.50000000000000 0.24925374856963 58.693 > 15 115 Ni 0.25000000000000 0.50000000000000 0.25074625143037 58.693 > 16 116 Ni 0.75000000000000 0.50000000000000 0.25074625143037 58.693 > 16 117 Ni 0.25000000000000 0.50000000000000 0.50000000000000 58.693 > 17 118 Ni 0.75000000000000 0.50000000000000 0.50000000000000 58.693 > 17 119 Ni 0.37500000000000 0.25000000000000 0.25000000000000 58.693 > 18 120 Ni 0.87500000000000 0.25000000000000 0.25000000000000 58.693 > 18 121 Ni 0.12500000000000 0.75000000000000 0.00074625143037 58.693 > 13 122 Ni 0.62500000000000 0.75000000000000 0.00074625143037 58.693 > 13 123 Ni 0.12500000000000 0.75000000000000 0.49925374856963 58.693 > 14 124 Ni 0.62500000000000 0.75000000000000 0.49925374856963 58.693 > 14 125 Ni 0.25000000000000 0.00000000000000 0.24925374856963 58.693 > 15 126 Ni 0.75000000000000 0.00000000000000 0.24925374856963 58.693 > 15 127 Ni 0.00000000000000 0.00000000000000 0.25074625143037 58.693 > 16 128 Ni 0.50000000000000 0.00000000000000 0.25074625143037 58.693 > 16 129 Ni 0.00000000000000 0.00000000000000 0.50000000000000 58.693 > 17 130 Ni 0.50000000000000 0.00000000000000 0.50000000000000 58.693 > 17 131 Ni 0.12500000000000 0.75000000000000 0.25000000000000 58.693 > 18 132 Ni 0.62500000000000 0.75000000000000 0.25000000000000 58.693 > 18 133 Ni 0.12500000000000 0.25000000000000 0.50074625143037 58.693 > 13 134 Ni 0.62500000000000 0.25000000000000 0.50074625143037 58.693 > 13 135 Ni 0.12500000000000 0.25000000000000 0.99925374856963 58.693 > 14 136 Ni 0.62500000000000 0.25000000000000 0.99925374856963 58.693 > 14 137 Ni 0.25000000000000 0.50000000000000 0.74925374856963 58.693 > 15 138 Ni 0.75000000000000 0.50000000000000 0.74925374856963 58.693 > 15 139 Ni 0.00000000000000 0.50000000000000 0.75074625143037 58.693 > 16 140 Ni 0.50000000000000 0.50000000000000 0.75074625143037 58.693 > 16 141 Ni 0.00000000000000 0.50000000000000 0.00000000000000 58.693 > 17 142 Ni 0.50000000000000 0.50000000000000 0.00000000000000 58.693 > 17 143 Ni 0.12500000000000 0.25000000000000 0.75000000000000 58.693 > 18 144 Ni 0.62500000000000 0.25000000000000 0.75000000000000 58.693 > 18 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.8371743 0.0000000 0.0000000 0.0000000 8.8571215 0.0000000 0.0000000 0.0000000 5.4958257 -------------------------- Born effective charges -------------------------- 1 S -0.4856679 0.0034158 0.0888778 0.0025807 -0.4740132 0.0854455 0.1349470 0.0362633 -1.1043428 2 S -0.4856679 -0.0034158 -0.0888778 -0.0025807 -0.4740132 0.0854455 -0.1349470 0.0362633 -1.1043428 3 S -0.4856679 -0.0034158 0.0888778 -0.0025807 -0.4740132 -0.0854455 0.1349470 -0.0362633 -1.1043428 4 S -0.4856679 0.0034158 -0.0888778 0.0025807 -0.4740132 -0.0854455 -0.1349470 -0.0362633 -1.1043428 5 S -0.4856679 0.0034158 0.0888778 0.0025807 -0.4740132 0.0854455 0.1349470 0.0362633 -1.1043428 6 S -0.4856679 -0.0034158 -0.0888778 -0.0025807 -0.4740132 0.0854455 -0.1349470 0.0362633 -1.1043428 7 S -0.4856679 0.0034158 -0.0888778 0.0025807 -0.4740132 -0.0854455 -0.1349470 -0.0362633 -1.1043428 8 S -0.4856679 -0.0034158 0.0888778 -0.0025807 -0.4740132 -0.0854455 0.1349470 -0.0362633 -1.1043428 9 K 1.4746620 0.0629434 0.0000000 0.0674703 1.4064911 0.0000000 0.0000000 0.0000000 1.6520382 10 K 1.4746620 -0.0629434 0.0000000 -0.0674703 1.4064911 0.0000000 0.0000000 0.0000000 1.6520382 11 K 1.4746620 0.0629434 0.0000000 0.0674703 1.4064911 0.0000000 0.0000000 0.0000000 1.6520382 12 K 1.4746620 -0.0629434 0.0000000 -0.0674703 1.4064911 0.0000000 0.0000000 0.0000000 1.6520382 13 Ni -0.2415448 0.1034737 0.0000000 0.0996966 -0.3840192 0.0000000 0.0000000 0.0000000 0.3472590 14 Ni -0.2415448 -0.1034737 0.0000000 -0.0996966 -0.3840192 0.0000000 0.0000000 0.0000000 0.3472590 15 Ni -0.2415448 0.1034737 0.0000000 0.0996966 -0.3840192 0.0000000 0.0000000 0.0000000 0.3472590 16 Ni -0.2415448 -0.1034737 0.0000000 -0.0996966 -0.3840192 0.0000000 0.0000000 0.0000000 0.3472590 17 Ni -0.5235626 0.0000000 0.0000000 0.0000000 -0.1488908 0.0000000 0.0000000 0.0000000 0.4187767 18 Ni -0.5235626 0.0000000 0.0000000 0.0000000 -0.1488908 0.0000000 0.0000000 0.0000000 0.4187767 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 14850/14850 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1580 Number of blocks in projector: 1580 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: 346 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 300 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 298 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 212 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 212 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 212 Use standard eigh solver. Tree of FC basis block matrices: - (1580, 1558), data: False |-- (212, 208), data: True |-- (212, 208), data: True |-- (212, 208), data: True |-- (298, 296), data: True |-- (300, 298), data: True |-- (346, 340), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 320 - Time: 2.838 Solver_block: 200 / 320 - Time: 2.859 Solver_block: 300 / 320 - Time: 2.857 Solver_block: 320 / 320 - Time: 0.661 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 9.253 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 14850/14850 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1580 Number of blocks in projector: 1580 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: 346 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 300 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 298 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 212 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 212 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 212 Use standard eigh solver. Tree of FC basis block matrices: - (1580, 1558), data: False |-- (212, 208), data: True |-- (212, 208), data: True |-- (212, 208), data: True |-- (298, 296), data: True |-- (300, 298), data: True |-- (346, 340), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 03:06:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:06:31]------------------------- 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 4.965950804999999 12.842484054999998 b 2.839239834999999 0.000000000000000 12.842484054999998 c 2.839239834999999 4.965950804999999 0.000000000000000 Atomic positions (fractional): 1 S 0.60639297343348 0.28219012305382 0.72612198830535 32.065 2 S 0.38529491520735 0.72612198830535 0.28219012305382 32.065 3 S 0.72612198830535 0.38529491520735 0.60639297343348 32.065 4 S 0.28219012305382 0.60639297343348 0.38529491520735 32.065 5 S 0.64360702656652 0.96780987694618 0.52387801169465 32.065 6 S 0.86470508479265 0.52387801169465 0.96780987694618 32.065 7 S 0.96780987694618 0.64360702656652 0.86470508479265 32.065 8 S 0.52387801169465 0.86470508479265 0.64360702656652 32.065 9 K 0.92183711543049 0.92183711543049 0.07816288456951 39.098 10 K 0.07816288456951 0.07816288456951 0.92183711543049 39.098 11 K 0.32816288456951 0.32816288456951 0.17183711543049 39.098 12 K 0.17183711543049 0.17183711543049 0.32816288456951 39.098 13 Ni 0.50074625143037 0.50074625143037 0.99925374856963 58.693 14 Ni 0.99925374856963 0.99925374856963 0.50074625143037 58.693 15 Ni 0.74925374856963 0.74925374856963 0.25074625143037 58.693 16 Ni 0.25074625143037 0.25074625143037 0.74925374856963 58.693 17 Ni 0.50000000000000 0.50000000000000 0.50000000000000 58.693 18 Ni 0.75000000000000 0.75000000000000 0.75000000000000 58.693 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.356959339999998 0.000000000000000 0.000000000000000 b 0.000000000000000 9.931901609999999 0.000000000000000 c 0.000000000000000 0.000000000000000 25.684968109999996 Atomic positions (fractional): 1 S 0.00207802783979 0.66625748086941 0.94429154824365 32.065 > 1 2 S 0.50207802783979 0.66625748086941 0.94429154824365 32.065 > 1 3 S 0.00207802783979 0.83374251913059 0.55570845175635 32.065 > 3 4 S 0.50207802783979 0.83374251913059 0.55570845175635 32.065 > 3 5 S 0.24792197216021 0.66625748086941 0.55570845175635 32.065 > 5 6 S 0.74792197216021 0.66625748086941 0.55570845175635 32.065 > 5 7 S 0.24792197216021 0.83374251913059 0.94429154824365 32.065 > 7 8 S 0.74792197216021 0.83374251913059 0.94429154824365 32.065 > 7 9 S 0.37292197216021 0.58374251913059 0.80570845175635 32.065 > 9 10 S 0.87292197216021 0.58374251913059 0.80570845175635 32.065 > 9 11 S 0.37292197216021 0.91625748086941 0.69429154824365 32.065 > 11 12 S 0.87292197216021 0.91625748086941 0.69429154824365 32.065 > 11 13 S 0.37707802783979 0.91625748086941 0.80570845175635 32.065 > 13 14 S 0.87707802783979 0.91625748086941 0.80570845175635 32.065 > 13 15 S 0.37707802783979 0.58374251913059 0.69429154824365 32.065 > 15 16 S 0.87707802783979 0.58374251913059 0.69429154824365 32.065 > 15 17 S 0.00207802783979 0.16625748086941 0.44429154824365 32.065 > 1 18 S 0.50207802783979 0.16625748086941 0.44429154824365 32.065 > 1 19 S 0.00207802783979 0.33374251913059 0.05570845175635 32.065 > 3 20 S 0.50207802783979 0.33374251913059 0.05570845175635 32.065 > 3 21 S 0.24792197216021 0.16625748086941 0.05570845175635 32.065 > 5 22 S 0.74792197216021 0.16625748086941 0.05570845175635 32.065 > 5 23 S 0.24792197216021 0.33374251913059 0.44429154824365 32.065 > 7 24 S 0.74792197216021 0.33374251913059 0.44429154824365 32.065 > 7 25 S 0.37292197216021 0.08374251913059 0.30570845175635 32.065 > 9 26 S 0.87292197216021 0.08374251913059 0.30570845175635 32.065 > 9 27 S 0.37292197216021 0.41625748086941 0.19429154824365 32.065 > 11 28 S 0.87292197216021 0.41625748086941 0.19429154824365 32.065 > 11 29 S 0.37707802783979 0.41625748086941 0.30570845175635 32.065 > 13 30 S 0.87707802783979 0.41625748086941 0.30570845175635 32.065 > 13 31 S 0.37707802783979 0.08374251913059 0.19429154824365 32.065 > 15 32 S 0.87707802783979 0.08374251913059 0.19429154824365 32.065 > 15 33 S 0.25207802783979 0.66625748086941 0.44429154824365 32.065 > 1 34 S 0.75207802783979 0.66625748086941 0.44429154824365 32.065 > 1 35 S 0.25207802783979 0.83374251913059 0.05570845175635 32.065 > 3 36 S 0.75207802783979 0.83374251913059 0.05570845175635 32.065 > 3 37 S 0.49792197216021 0.66625748086941 0.05570845175635 32.065 > 5 38 S 0.99792197216021 0.66625748086941 0.05570845175635 32.065 > 5 39 S 0.49792197216021 0.83374251913059 0.44429154824365 32.065 > 7 40 S 0.99792197216021 0.83374251913059 0.44429154824365 32.065 > 7 41 S 0.12292197216021 0.58374251913059 0.30570845175635 32.065 > 9 42 S 0.62292197216021 0.58374251913059 0.30570845175635 32.065 > 9 43 S 0.12292197216021 0.91625748086941 0.19429154824365 32.065 > 11 44 S 0.62292197216021 0.91625748086941 0.19429154824365 32.065 > 11 45 S 0.12707802783979 0.91625748086941 0.30570845175635 32.065 > 13 46 S 0.62707802783979 0.91625748086941 0.30570845175635 32.065 > 13 47 S 0.12707802783979 0.58374251913059 0.19429154824365 32.065 > 15 48 S 0.62707802783979 0.58374251913059 0.19429154824365 32.065 > 15 49 S 0.25207802783979 0.16625748086941 0.94429154824365 32.065 > 1 50 S 0.75207802783979 0.16625748086941 0.94429154824365 32.065 > 1 51 S 0.25207802783979 0.33374251913059 0.55570845175635 32.065 > 3 52 S 0.75207802783979 0.33374251913059 0.55570845175635 32.065 > 3 53 S 0.49792197216021 0.16625748086941 0.55570845175635 32.065 > 5 54 S 0.99792197216021 0.16625748086941 0.55570845175635 32.065 > 5 55 S 0.49792197216021 0.33374251913059 0.94429154824365 32.065 > 7 56 S 0.99792197216021 0.33374251913059 0.94429154824365 32.065 > 7 57 S 0.12292197216021 0.08374251913059 0.80570845175635 32.065 > 9 58 S 0.62292197216021 0.08374251913059 0.80570845175635 32.065 > 9 59 S 0.12292197216021 0.41625748086941 0.69429154824365 32.065 > 11 60 S 0.62292197216021 0.41625748086941 0.69429154824365 32.065 > 11 61 S 0.12707802783979 0.41625748086941 0.80570845175635 32.065 > 13 62 S 0.62707802783979 0.41625748086941 0.80570845175635 32.065 > 13 63 S 0.12707802783979 0.08374251913059 0.69429154824365 32.065 > 15 64 S 0.62707802783979 0.08374251913059 0.69429154824365 32.065 > 15 65 K 0.00000000000000 0.00000000000000 0.92183711543049 39.098 > 65 66 K 0.50000000000000 0.00000000000000 0.92183711543049 39.098 > 65 67 K 0.25000000000000 0.00000000000000 0.57816288456951 39.098 > 67 68 K 0.75000000000000 0.00000000000000 0.57816288456951 39.098 > 67 69 K 0.12500000000000 0.75000000000000 0.82816288456951 39.098 > 69 70 K 0.62500000000000 0.75000000000000 0.82816288456951 39.098 > 69 71 K 0.12500000000000 0.75000000000000 0.67183711543049 39.098 > 71 72 K 0.62500000000000 0.75000000000000 0.67183711543049 39.098 > 71 73 K 0.00000000000000 0.50000000000000 0.42183711543049 39.098 > 65 74 K 0.50000000000000 0.50000000000000 0.42183711543049 39.098 > 65 75 K 0.25000000000000 0.50000000000000 0.07816288456951 39.098 > 67 76 K 0.75000000000000 0.50000000000000 0.07816288456951 39.098 > 67 77 K 0.12500000000000 0.25000000000000 0.32816288456951 39.098 > 69 78 K 0.62500000000000 0.25000000000000 0.32816288456951 39.098 > 69 79 K 0.12500000000000 0.25000000000000 0.17183711543049 39.098 > 71 80 K 0.62500000000000 0.25000000000000 0.17183711543049 39.098 > 71 81 K 0.25000000000000 0.00000000000000 0.42183711543049 39.098 > 65 82 K 0.75000000000000 0.00000000000000 0.42183711543049 39.098 > 65 83 K 0.00000000000000 0.00000000000000 0.07816288456951 39.098 > 67 84 K 0.50000000000000 0.00000000000000 0.07816288456951 39.098 > 67 85 K 0.37500000000000 0.75000000000000 0.32816288456951 39.098 > 69 86 K 0.87500000000000 0.75000000000000 0.32816288456951 39.098 > 69 87 K 0.37500000000000 0.75000000000000 0.17183711543049 39.098 > 71 88 K 0.87500000000000 0.75000000000000 0.17183711543049 39.098 > 71 89 K 0.25000000000000 0.50000000000000 0.92183711543049 39.098 > 65 90 K 0.75000000000000 0.50000000000000 0.92183711543049 39.098 > 65 91 K 0.00000000000000 0.50000000000000 0.57816288456951 39.098 > 67 92 K 0.50000000000000 0.50000000000000 0.57816288456951 39.098 > 67 93 K 0.37500000000000 0.25000000000000 0.82816288456951 39.098 > 69 94 K 0.87500000000000 0.25000000000000 0.82816288456951 39.098 > 69 95 K 0.37500000000000 0.25000000000000 0.67183711543049 39.098 > 71 96 K 0.87500000000000 0.25000000000000 0.67183711543049 39.098 > 71 97 Ni 0.37500000000000 0.75000000000000 0.50074625143037 58.693 > 97 98 Ni 0.87500000000000 0.75000000000000 0.50074625143037 58.693 > 97 99 Ni 0.37500000000000 0.75000000000000 0.99925374856963 58.693 > 99 100 Ni 0.87500000000000 0.75000000000000 0.99925374856963 58.693 > 99 101 Ni 0.00000000000000 0.00000000000000 0.74925374856963 58.693 > 101 102 Ni 0.50000000000000 0.00000000000000 0.74925374856963 58.693 > 101 103 Ni 0.25000000000000 0.00000000000000 0.75074625143037 58.693 > 103 104 Ni 0.75000000000000 0.00000000000000 0.75074625143037 58.693 > 103 105 Ni 0.25000000000000 0.00000000000000 0.00000000000000 58.693 > 105 106 Ni 0.75000000000000 0.00000000000000 0.00000000000000 58.693 > 105 107 Ni 0.37500000000000 0.75000000000000 0.75000000000000 58.693 > 107 108 Ni 0.87500000000000 0.75000000000000 0.75000000000000 58.693 > 107 109 Ni 0.37500000000000 0.25000000000000 0.00074625143037 58.693 > 97 110 Ni 0.87500000000000 0.25000000000000 0.00074625143037 58.693 > 97 111 Ni 0.37500000000000 0.25000000000000 0.49925374856963 58.693 > 99 112 Ni 0.87500000000000 0.25000000000000 0.49925374856963 58.693 > 99 113 Ni 0.00000000000000 0.50000000000000 0.24925374856963 58.693 > 101 114 Ni 0.50000000000000 0.50000000000000 0.24925374856963 58.693 > 101 115 Ni 0.25000000000000 0.50000000000000 0.25074625143037 58.693 > 103 116 Ni 0.75000000000000 0.50000000000000 0.25074625143037 58.693 > 103 117 Ni 0.25000000000000 0.50000000000000 0.50000000000000 58.693 > 105 118 Ni 0.75000000000000 0.50000000000000 0.50000000000000 58.693 > 105 119 Ni 0.37500000000000 0.25000000000000 0.25000000000000 58.693 > 107 120 Ni 0.87500000000000 0.25000000000000 0.25000000000000 58.693 > 107 121 Ni 0.12500000000000 0.75000000000000 0.00074625143037 58.693 > 97 122 Ni 0.62500000000000 0.75000000000000 0.00074625143037 58.693 > 97 123 Ni 0.12500000000000 0.75000000000000 0.49925374856963 58.693 > 99 124 Ni 0.62500000000000 0.75000000000000 0.49925374856963 58.693 > 99 125 Ni 0.25000000000000 0.00000000000000 0.24925374856963 58.693 > 101 126 Ni 0.75000000000000 0.00000000000000 0.24925374856963 58.693 > 101 127 Ni 0.00000000000000 0.00000000000000 0.25074625143037 58.693 > 103 128 Ni 0.50000000000000 0.00000000000000 0.25074625143037 58.693 > 103 129 Ni 0.00000000000000 0.00000000000000 0.50000000000000 58.693 > 105 130 Ni 0.50000000000000 0.00000000000000 0.50000000000000 58.693 > 105 131 Ni 0.12500000000000 0.75000000000000 0.25000000000000 58.693 > 107 132 Ni 0.62500000000000 0.75000000000000 0.25000000000000 58.693 > 107 133 Ni 0.12500000000000 0.25000000000000 0.50074625143037 58.693 > 97 134 Ni 0.62500000000000 0.25000000000000 0.50074625143037 58.693 > 97 135 Ni 0.12500000000000 0.25000000000000 0.99925374856963 58.693 > 99 136 Ni 0.62500000000000 0.25000000000000 0.99925374856963 58.693 > 99 137 Ni 0.25000000000000 0.50000000000000 0.74925374856963 58.693 > 101 138 Ni 0.75000000000000 0.50000000000000 0.74925374856963 58.693 > 101 139 Ni 0.00000000000000 0.50000000000000 0.75074625143037 58.693 > 103 140 Ni 0.50000000000000 0.50000000000000 0.75074625143037 58.693 > 103 141 Ni 0.00000000000000 0.50000000000000 0.00000000000000 58.693 > 105 142 Ni 0.50000000000000 0.50000000000000 0.00000000000000 58.693 > 105 143 Ni 0.12500000000000 0.25000000000000 0.75000000000000 58.693 > 107 144 Ni 0.62500000000000 0.25000000000000 0.75000000000000 58.693 > 107 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.8371743 0.0000000 0.0000000 0.0000000 8.8571215 0.0000000 0.0000000 0.0000000 5.4958257 -------------------------- Born effective charges -------------------------- 1 S -0.4856679 0.0034158 0.0888778 0.0025807 -0.4740132 0.0854455 0.1349470 0.0362633 -1.1043428 2 S -0.4856679 -0.0034158 -0.0888778 -0.0025807 -0.4740132 0.0854455 -0.1349470 0.0362633 -1.1043428 3 S -0.4856679 -0.0034158 0.0888778 -0.0025807 -0.4740132 -0.0854455 0.1349470 -0.0362633 -1.1043428 4 S -0.4856679 0.0034158 -0.0888778 0.0025807 -0.4740132 -0.0854455 -0.1349470 -0.0362633 -1.1043428 5 S -0.4856679 0.0034158 0.0888778 0.0025807 -0.4740132 0.0854455 0.1349470 0.0362633 -1.1043428 6 S -0.4856679 -0.0034158 -0.0888778 -0.0025807 -0.4740132 0.0854455 -0.1349470 0.0362633 -1.1043428 7 S -0.4856679 0.0034158 -0.0888778 0.0025807 -0.4740132 -0.0854455 -0.1349470 -0.0362633 -1.1043428 8 S -0.4856679 -0.0034158 0.0888778 -0.0025807 -0.4740132 -0.0854455 0.1349470 -0.0362633 -1.1043428 9 K 1.4746620 0.0629434 0.0000000 0.0674703 1.4064911 0.0000000 0.0000000 0.0000000 1.6520382 10 K 1.4746620 -0.0629434 0.0000000 -0.0674703 1.4064911 0.0000000 0.0000000 0.0000000 1.6520382 11 K 1.4746620 0.0629434 0.0000000 0.0674703 1.4064911 0.0000000 0.0000000 0.0000000 1.6520382 12 K 1.4746620 -0.0629434 0.0000000 -0.0674703 1.4064911 0.0000000 0.0000000 0.0000000 1.6520382 13 Ni -0.2415448 0.1034737 0.0000000 0.0996966 -0.3840192 0.0000000 0.0000000 0.0000000 0.3472590 14 Ni -0.2415448 -0.1034737 0.0000000 -0.0996966 -0.3840192 0.0000000 0.0000000 0.0000000 0.3472590 15 Ni -0.2415448 0.1034737 0.0000000 0.0996966 -0.3840192 0.0000000 0.0000000 0.0000000 0.3472590 16 Ni -0.2415448 -0.1034737 0.0000000 -0.0996966 -0.3840192 0.0000000 0.0000000 0.0000000 0.3472590 17 Ni -0.5235626 0.0000000 0.0000000 0.0000000 -0.1488908 0.0000000 0.0000000 0.0000000 0.4187767 18 Ni -0.5235626 0.0000000 0.0000000 0.0000000 -0.1488908 0.0000000 0.0000000 0.0000000 0.4187767 ---------------------------------------------------------------------------- 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[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 105, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) 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 2026-01-08 03:06:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:06:55]------------------------- 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 4.965950804999999 12.842484054999998 b 2.839239834999999 0.000000000000000 12.842484054999998 c 2.839239834999999 4.965950804999999 0.000000000000000 Atomic positions (fractional): 1 S 0.60639297343348 0.28219012305382 0.72612198830535 32.065 2 S 0.38529491520735 0.72612198830535 0.28219012305382 32.065 3 S 0.72612198830535 0.38529491520735 0.60639297343348 32.065 4 S 0.28219012305382 0.60639297343348 0.38529491520735 32.065 5 S 0.64360702656652 0.96780987694618 0.52387801169465 32.065 6 S 0.86470508479265 0.52387801169465 0.96780987694618 32.065 7 S 0.96780987694618 0.64360702656652 0.86470508479265 32.065 8 S 0.52387801169465 0.86470508479265 0.64360702656652 32.065 9 K 0.92183711543049 0.92183711543049 0.07816288456951 39.098 10 K 0.07816288456951 0.07816288456951 0.92183711543049 39.098 11 K 0.32816288456951 0.32816288456951 0.17183711543049 39.098 12 K 0.17183711543049 0.17183711543049 0.32816288456951 39.098 13 Ni 0.50074625143037 0.50074625143037 0.99925374856963 58.693 14 Ni 0.99925374856963 0.99925374856963 0.50074625143037 58.693 15 Ni 0.74925374856963 0.74925374856963 0.25074625143037 58.693 16 Ni 0.25074625143037 0.25074625143037 0.74925374856963 58.693 17 Ni 0.50000000000000 0.50000000000000 0.50000000000000 58.693 18 Ni 0.75000000000000 0.75000000000000 0.75000000000000 58.693 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.356959339999998 0.000000000000000 0.000000000000000 b 0.000000000000000 9.931901609999999 0.000000000000000 c 0.000000000000000 0.000000000000000 25.684968109999996 Atomic positions (fractional): 1 S 0.00207802783979 0.66625748086941 0.94429154824365 32.065 > 1 2 S 0.50207802783979 0.66625748086941 0.94429154824365 32.065 > 1 3 S 0.00207802783979 0.83374251913059 0.55570845175635 32.065 > 3 4 S 0.50207802783979 0.83374251913059 0.55570845175635 32.065 > 3 5 S 0.24792197216021 0.66625748086941 0.55570845175635 32.065 > 5 6 S 0.74792197216021 0.66625748086941 0.55570845175635 32.065 > 5 7 S 0.24792197216021 0.83374251913059 0.94429154824365 32.065 > 7 8 S 0.74792197216021 0.83374251913059 0.94429154824365 32.065 > 7 9 S 0.37292197216021 0.58374251913059 0.80570845175635 32.065 > 9 10 S 0.87292197216021 0.58374251913059 0.80570845175635 32.065 > 9 11 S 0.37292197216021 0.91625748086941 0.69429154824365 32.065 > 11 12 S 0.87292197216021 0.91625748086941 0.69429154824365 32.065 > 11 13 S 0.37707802783979 0.91625748086941 0.80570845175635 32.065 > 13 14 S 0.87707802783979 0.91625748086941 0.80570845175635 32.065 > 13 15 S 0.37707802783979 0.58374251913059 0.69429154824365 32.065 > 15 16 S 0.87707802783979 0.58374251913059 0.69429154824365 32.065 > 15 17 S 0.00207802783979 0.16625748086941 0.44429154824365 32.065 > 1 18 S 0.50207802783979 0.16625748086941 0.44429154824365 32.065 > 1 19 S 0.00207802783979 0.33374251913059 0.05570845175635 32.065 > 3 20 S 0.50207802783979 0.33374251913059 0.05570845175635 32.065 > 3 21 S 0.24792197216021 0.16625748086941 0.05570845175635 32.065 > 5 22 S 0.74792197216021 0.16625748086941 0.05570845175635 32.065 > 5 23 S 0.24792197216021 0.33374251913059 0.44429154824365 32.065 > 7 24 S 0.74792197216021 0.33374251913059 0.44429154824365 32.065 > 7 25 S 0.37292197216021 0.08374251913059 0.30570845175635 32.065 > 9 26 S 0.87292197216021 0.08374251913059 0.30570845175635 32.065 > 9 27 S 0.37292197216021 0.41625748086941 0.19429154824365 32.065 > 11 28 S 0.87292197216021 0.41625748086941 0.19429154824365 32.065 > 11 29 S 0.37707802783979 0.41625748086941 0.30570845175635 32.065 > 13 30 S 0.87707802783979 0.41625748086941 0.30570845175635 32.065 > 13 31 S 0.37707802783979 0.08374251913059 0.19429154824365 32.065 > 15 32 S 0.87707802783979 0.08374251913059 0.19429154824365 32.065 > 15 33 S 0.25207802783979 0.66625748086941 0.44429154824365 32.065 > 1 34 S 0.75207802783979 0.66625748086941 0.44429154824365 32.065 > 1 35 S 0.25207802783979 0.83374251913059 0.05570845175635 32.065 > 3 36 S 0.75207802783979 0.83374251913059 0.05570845175635 32.065 > 3 37 S 0.49792197216021 0.66625748086941 0.05570845175635 32.065 > 5 38 S 0.99792197216021 0.66625748086941 0.05570845175635 32.065 > 5 39 S 0.49792197216021 0.83374251913059 0.44429154824365 32.065 > 7 40 S 0.99792197216021 0.83374251913059 0.44429154824365 32.065 > 7 41 S 0.12292197216021 0.58374251913059 0.30570845175635 32.065 > 9 42 S 0.62292197216021 0.58374251913059 0.30570845175635 32.065 > 9 43 S 0.12292197216021 0.91625748086941 0.19429154824365 32.065 > 11 44 S 0.62292197216021 0.91625748086941 0.19429154824365 32.065 > 11 45 S 0.12707802783979 0.91625748086941 0.30570845175635 32.065 > 13 46 S 0.62707802783979 0.91625748086941 0.30570845175635 32.065 > 13 47 S 0.12707802783979 0.58374251913059 0.19429154824365 32.065 > 15 48 S 0.62707802783979 0.58374251913059 0.19429154824365 32.065 > 15 49 S 0.25207802783979 0.16625748086941 0.94429154824365 32.065 > 1 50 S 0.75207802783979 0.16625748086941 0.94429154824365 32.065 > 1 51 S 0.25207802783979 0.33374251913059 0.55570845175635 32.065 > 3 52 S 0.75207802783979 0.33374251913059 0.55570845175635 32.065 > 3 53 S 0.49792197216021 0.16625748086941 0.55570845175635 32.065 > 5 54 S 0.99792197216021 0.16625748086941 0.55570845175635 32.065 > 5 55 S 0.49792197216021 0.33374251913059 0.94429154824365 32.065 > 7 56 S 0.99792197216021 0.33374251913059 0.94429154824365 32.065 > 7 57 S 0.12292197216021 0.08374251913059 0.80570845175635 32.065 > 9 58 S 0.62292197216021 0.08374251913059 0.80570845175635 32.065 > 9 59 S 0.12292197216021 0.41625748086941 0.69429154824365 32.065 > 11 60 S 0.62292197216021 0.41625748086941 0.69429154824365 32.065 > 11 61 S 0.12707802783979 0.41625748086941 0.80570845175635 32.065 > 13 62 S 0.62707802783979 0.41625748086941 0.80570845175635 32.065 > 13 63 S 0.12707802783979 0.08374251913059 0.69429154824365 32.065 > 15 64 S 0.62707802783979 0.08374251913059 0.69429154824365 32.065 > 15 65 K 0.00000000000000 0.00000000000000 0.92183711543049 39.098 > 65 66 K 0.50000000000000 0.00000000000000 0.92183711543049 39.098 > 65 67 K 0.25000000000000 0.00000000000000 0.57816288456951 39.098 > 67 68 K 0.75000000000000 0.00000000000000 0.57816288456951 39.098 > 67 69 K 0.12500000000000 0.75000000000000 0.82816288456951 39.098 > 69 70 K 0.62500000000000 0.75000000000000 0.82816288456951 39.098 > 69 71 K 0.12500000000000 0.75000000000000 0.67183711543049 39.098 > 71 72 K 0.62500000000000 0.75000000000000 0.67183711543049 39.098 > 71 73 K 0.00000000000000 0.50000000000000 0.42183711543049 39.098 > 65 74 K 0.50000000000000 0.50000000000000 0.42183711543049 39.098 > 65 75 K 0.25000000000000 0.50000000000000 0.07816288456951 39.098 > 67 76 K 0.75000000000000 0.50000000000000 0.07816288456951 39.098 > 67 77 K 0.12500000000000 0.25000000000000 0.32816288456951 39.098 > 69 78 K 0.62500000000000 0.25000000000000 0.32816288456951 39.098 > 69 79 K 0.12500000000000 0.25000000000000 0.17183711543049 39.098 > 71 80 K 0.62500000000000 0.25000000000000 0.17183711543049 39.098 > 71 81 K 0.25000000000000 0.00000000000000 0.42183711543049 39.098 > 65 82 K 0.75000000000000 0.00000000000000 0.42183711543049 39.098 > 65 83 K 0.00000000000000 0.00000000000000 0.07816288456951 39.098 > 67 84 K 0.50000000000000 0.00000000000000 0.07816288456951 39.098 > 67 85 K 0.37500000000000 0.75000000000000 0.32816288456951 39.098 > 69 86 K 0.87500000000000 0.75000000000000 0.32816288456951 39.098 > 69 87 K 0.37500000000000 0.75000000000000 0.17183711543049 39.098 > 71 88 K 0.87500000000000 0.75000000000000 0.17183711543049 39.098 > 71 89 K 0.25000000000000 0.50000000000000 0.92183711543049 39.098 > 65 90 K 0.75000000000000 0.50000000000000 0.92183711543049 39.098 > 65 91 K 0.00000000000000 0.50000000000000 0.57816288456951 39.098 > 67 92 K 0.50000000000000 0.50000000000000 0.57816288456951 39.098 > 67 93 K 0.37500000000000 0.25000000000000 0.82816288456951 39.098 > 69 94 K 0.87500000000000 0.25000000000000 0.82816288456951 39.098 > 69 95 K 0.37500000000000 0.25000000000000 0.67183711543049 39.098 > 71 96 K 0.87500000000000 0.25000000000000 0.67183711543049 39.098 > 71 97 Ni 0.37500000000000 0.75000000000000 0.50074625143037 58.693 > 97 98 Ni 0.87500000000000 0.75000000000000 0.50074625143037 58.693 > 97 99 Ni 0.37500000000000 0.75000000000000 0.99925374856963 58.693 > 99 100 Ni 0.87500000000000 0.75000000000000 0.99925374856963 58.693 > 99 101 Ni 0.00000000000000 0.00000000000000 0.74925374856963 58.693 > 101 102 Ni 0.50000000000000 0.00000000000000 0.74925374856963 58.693 > 101 103 Ni 0.25000000000000 0.00000000000000 0.75074625143037 58.693 > 103 104 Ni 0.75000000000000 0.00000000000000 0.75074625143037 58.693 > 103 105 Ni 0.25000000000000 0.00000000000000 0.00000000000000 58.693 > 105 106 Ni 0.75000000000000 0.00000000000000 0.00000000000000 58.693 > 105 107 Ni 0.37500000000000 0.75000000000000 0.75000000000000 58.693 > 107 108 Ni 0.87500000000000 0.75000000000000 0.75000000000000 58.693 > 107 109 Ni 0.37500000000000 0.25000000000000 0.00074625143037 58.693 > 97 110 Ni 0.87500000000000 0.25000000000000 0.00074625143037 58.693 > 97 111 Ni 0.37500000000000 0.25000000000000 0.49925374856963 58.693 > 99 112 Ni 0.87500000000000 0.25000000000000 0.49925374856963 58.693 > 99 113 Ni 0.00000000000000 0.50000000000000 0.24925374856963 58.693 > 101 114 Ni 0.50000000000000 0.50000000000000 0.24925374856963 58.693 > 101 115 Ni 0.25000000000000 0.50000000000000 0.25074625143037 58.693 > 103 116 Ni 0.75000000000000 0.50000000000000 0.25074625143037 58.693 > 103 117 Ni 0.25000000000000 0.50000000000000 0.50000000000000 58.693 > 105 118 Ni 0.75000000000000 0.50000000000000 0.50000000000000 58.693 > 105 119 Ni 0.37500000000000 0.25000000000000 0.25000000000000 58.693 > 107 120 Ni 0.87500000000000 0.25000000000000 0.25000000000000 58.693 > 107 121 Ni 0.12500000000000 0.75000000000000 0.00074625143037 58.693 > 97 122 Ni 0.62500000000000 0.75000000000000 0.00074625143037 58.693 > 97 123 Ni 0.12500000000000 0.75000000000000 0.49925374856963 58.693 > 99 124 Ni 0.62500000000000 0.75000000000000 0.49925374856963 58.693 > 99 125 Ni 0.25000000000000 0.00000000000000 0.24925374856963 58.693 > 101 126 Ni 0.75000000000000 0.00000000000000 0.24925374856963 58.693 > 101 127 Ni 0.00000000000000 0.00000000000000 0.25074625143037 58.693 > 103 128 Ni 0.50000000000000 0.00000000000000 0.25074625143037 58.693 > 103 129 Ni 0.00000000000000 0.00000000000000 0.50000000000000 58.693 > 105 130 Ni 0.50000000000000 0.00000000000000 0.50000000000000 58.693 > 105 131 Ni 0.12500000000000 0.75000000000000 0.25000000000000 58.693 > 107 132 Ni 0.62500000000000 0.75000000000000 0.25000000000000 58.693 > 107 133 Ni 0.12500000000000 0.25000000000000 0.50074625143037 58.693 > 97 134 Ni 0.62500000000000 0.25000000000000 0.50074625143037 58.693 > 97 135 Ni 0.12500000000000 0.25000000000000 0.99925374856963 58.693 > 99 136 Ni 0.62500000000000 0.25000000000000 0.99925374856963 58.693 > 99 137 Ni 0.25000000000000 0.50000000000000 0.74925374856963 58.693 > 101 138 Ni 0.75000000000000 0.50000000000000 0.74925374856963 58.693 > 101 139 Ni 0.00000000000000 0.50000000000000 0.75074625143037 58.693 > 103 140 Ni 0.50000000000000 0.50000000000000 0.75074625143037 58.693 > 103 141 Ni 0.00000000000000 0.50000000000000 0.00000000000000 58.693 > 105 142 Ni 0.50000000000000 0.50000000000000 0.00000000000000 58.693 > 105 143 Ni 0.12500000000000 0.25000000000000 0.75000000000000 58.693 > 107 144 Ni 0.62500000000000 0.25000000000000 0.75000000000000 58.693 > 107 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 8.8371743 0.0000000 0.0000000 0.0000000 8.8571215 0.0000000 0.0000000 0.0000000 5.4958257 -------------------------- Born effective charges -------------------------- 1 S -0.4856679 0.0034158 0.0888778 0.0025807 -0.4740132 0.0854455 0.1349470 0.0362633 -1.1043428 2 S -0.4856679 -0.0034158 -0.0888778 -0.0025807 -0.4740132 0.0854455 -0.1349470 0.0362633 -1.1043428 3 S -0.4856679 -0.0034158 0.0888778 -0.0025807 -0.4740132 -0.0854455 0.1349470 -0.0362633 -1.1043428 4 S -0.4856679 0.0034158 -0.0888778 0.0025807 -0.4740132 -0.0854455 -0.1349470 -0.0362633 -1.1043428 5 S -0.4856679 0.0034158 0.0888778 0.0025807 -0.4740132 0.0854455 0.1349470 0.0362633 -1.1043428 6 S -0.4856679 -0.0034158 -0.0888778 -0.0025807 -0.4740132 0.0854455 -0.1349470 0.0362633 -1.1043428 7 S -0.4856679 0.0034158 -0.0888778 0.0025807 -0.4740132 -0.0854455 -0.1349470 -0.0362633 -1.1043428 8 S -0.4856679 -0.0034158 0.0888778 -0.0025807 -0.4740132 -0.0854455 0.1349470 -0.0362633 -1.1043428 9 K 1.4746620 0.0629434 0.0000000 0.0674703 1.4064911 0.0000000 0.0000000 0.0000000 1.6520382 10 K 1.4746620 -0.0629434 0.0000000 -0.0674703 1.4064911 0.0000000 0.0000000 0.0000000 1.6520382 11 K 1.4746620 0.0629434 0.0000000 0.0674703 1.4064911 0.0000000 0.0000000 0.0000000 1.6520382 12 K 1.4746620 -0.0629434 0.0000000 -0.0674703 1.4064911 0.0000000 0.0000000 0.0000000 1.6520382 13 Ni -0.2415448 0.1034737 0.0000000 0.0996966 -0.3840192 0.0000000 0.0000000 0.0000000 0.3472590 14 Ni -0.2415448 -0.1034737 0.0000000 -0.0996966 -0.3840192 0.0000000 0.0000000 0.0000000 0.3472590 15 Ni -0.2415448 0.1034737 0.0000000 0.0996966 -0.3840192 0.0000000 0.0000000 0.0000000 0.3472590 16 Ni -0.2415448 -0.1034737 0.0000000 -0.0996966 -0.3840192 0.0000000 0.0000000 0.0000000 0.3472590 17 Ni -0.5235626 0.0000000 0.0000000 0.0000000 -0.1488908 0.0000000 0.0000000 0.0000000 0.4187767 18 Ni -0.5235626 0.0000000 0.0000000 0.0000000 -0.1488908 0.0000000 0.0000000 0.0000000 0.4187767 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- 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 ... [ 10 10 10 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.58, Number of G-points: 305, Lambda: 0.17 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/171) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 171 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 0.804 ( 0.000 0.000 0.000) 0.000 0.951 ( 0.000 0.000 0.000) 0.000 1.582 ( 0.000 0.000 -0.000) 0.000 2.832 ( 0.000 0.000 0.000) 0.000 2.855 ( 0.000 0.000 0.000) 0.000 2.894 ( 0.000 0.000 0.000) 0.000 2.981 ( 0.000 0.000 0.000) 0.000 3.034 ( 0.000 0.000 0.000) 0.000 3.239 ( 0.000 0.000 0.000) 0.000 3.288 ( 0.000 0.000 -0.000) 0.000 3.477 ( 0.000 0.000 0.000) 0.000 3.621 ( 0.000 0.000 -0.000) 0.000 3.650 ( 0.000 0.000 0.000) 0.000 3.750 ( 0.000 0.000 -0.000) 0.000 3.794 ( 0.000 0.000 -0.000) 0.000 3.882 ( 0.000 0.000 0.000) 0.000 3.888 ( 0.000 0.000 0.000) 0.000 4.503 ( 0.000 0.000 -0.000) 0.000 4.539 ( 0.000 0.000 0.000) 0.000 4.578 ( 0.000 0.000 0.000) 0.000 4.583 ( 0.000 0.000 0.000) 0.000 5.093 ( 0.000 0.000 -0.000) 0.000 5.104 ( 0.000 0.000 0.000) 0.000 5.124 ( 0.000 0.000 0.000) 0.000 5.133 ( 0.000 0.000 -0.000) 0.000 6.156 ( 0.000 0.000 0.000) 0.000 6.211 ( 0.000 0.000 0.000) 0.000 7.350 ( 0.000 0.000 0.000) 0.000 7.369 ( 0.000 0.000 0.000) 0.000 7.405 ( 0.000 0.000 -0.000) 0.000 7.419 ( 0.000 0.000 -0.000) 0.000 8.882 ( 0.000 0.000 -0.000) 0.000 8.895 ( 0.000 0.000 0.000) 0.000 8.923 ( 0.000 0.000 0.000) 0.000 8.959 ( 0.000 0.000 0.000) 0.000 9.169 ( 0.000 0.000 -0.000) 0.000 9.199 ( 0.000 0.000 -0.000) 0.000 9.335 ( 0.000 0.000 0.000) 0.000 9.357 ( 0.000 0.000 0.000) 0.000 9.469 ( 0.000 0.000 0.000) 0.000 9.508 ( 0.000 0.000 0.000) 0.000 10.075 ( 0.000 0.000 -0.000) 0.000 10.302 ( 0.000 0.000 -0.000) 0.000 10.743 ( 0.000 0.000 0.000) 0.000 10.762 ( 0.000 0.000 0.000) 0.000 10.778 ( 0.000 0.000 -0.000) 0.000 10.810 ( 0.000 0.000 0.000) 0.000 11.270 ( 0.000 0.000 0.000) 0.000 11.316 ( 0.000 0.000 -0.000) 0.000 11.360 ( 0.000 0.000 0.000) 0.000 11.426 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/171) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.244 ( -9.875 12.278 6.319) 16.976 0.432 ( -19.757 7.030 2.651) 21.138 0.926 ( -37.829 23.609 1.678) 44.624 0.988 ( -11.978 -1.011 -1.220) 12.083 1.209 ( -21.270 17.993 -1.892) 27.924 1.461 ( 8.540 -4.414 -1.282) 9.698 2.759 ( 5.980 -1.844 2.501) 6.739 2.826 ( 0.596 -1.727 0.581) 1.917 2.950 ( -3.214 -3.985 0.626) 5.158 2.992 ( -0.523 -0.524 -1.831) 1.975 3.056 ( 0.224 2.374 1.241) 2.688 3.231 ( 1.671 4.085 -1.510) 4.665 3.314 ( 1.520 1.022 0.161) 1.838 3.521 ( 7.356 -5.173 0.597) 9.012 3.596 ( 1.792 -1.712 -0.154) 2.483 3.757 ( 0.301 -1.975 0.176) 2.005 3.810 ( 0.333 2.268 -2.185) 3.167 3.881 ( -2.095 -2.661 0.087) 3.388 3.898 ( -0.646 1.132 -0.257) 1.328 3.924 ( 1.377 -2.222 0.520) 2.665 4.418 ( 8.156 -3.732 -0.195) 8.972 4.451 ( 8.443 -6.805 0.132) 10.845 4.542 ( 1.824 0.983 -0.687) 2.183 4.564 ( 0.401 -1.790 0.691) 1.961 5.047 ( 4.404 -1.876 0.035) 4.787 5.059 ( 4.233 -2.089 -0.040) 4.721 5.106 ( 1.043 -1.398 0.004) 1.744 5.113 ( 1.221 -1.407 -0.035) 1.863 6.126 ( 2.461 -1.552 0.096) 2.911 6.174 ( 3.198 -1.552 -0.149) 3.558 7.358 ( 0.435 1.690 0.049) 1.746 7.375 ( 0.670 1.777 -0.042) 1.899 7.450 ( -4.684 1.204 0.027) 4.837 7.459 ( -4.301 1.053 0.052) 4.428 8.915 ( -2.454 1.892 -0.034) 3.098 8.929 ( -2.651 1.684 -0.055) 3.141 8.967 ( -3.865 1.618 0.177) 4.193 8.992 ( -3.111 0.906 -0.054) 3.240 9.158 ( 1.513 -2.234 -0.583) 2.760 9.163 ( 0.742 -1.644 0.497) 1.871 9.373 ( -1.719 3.339 0.075) 3.756 9.393 ( -2.061 2.936 -0.041) 3.587 9.520 ( -4.557 1.221 0.047) 4.718 9.538 ( -2.893 1.005 -0.071) 3.064 10.079 ( 0.603 -0.152 2.448) 2.526 10.274 ( 2.224 -1.077 -0.656) 2.557 10.707 ( 4.669 -3.880 0.035) 6.071 10.728 ( 3.555 -3.902 -0.085) 5.279 10.753 ( 1.421 0.996 0.050) 1.736 10.776 ( 2.266 1.177 -0.080) 2.555 11.293 ( -2.214 0.517 0.151) 2.279 11.354 ( -3.212 -0.121 -0.231) 3.223 11.387 ( -2.105 2.420 -0.018) 3.208 11.437 ( -0.643 1.071 -0.181) 1.262 ======================= Grid point 2 (3/171) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.642 ( -18.565 12.451 3.201) 22.582 0.853 ( -18.557 7.271 2.401) 20.075 1.207 ( -12.584 3.325 -2.157) 13.193 1.248 ( 4.423 -3.532 -4.140) 7.013 1.816 ( -35.563 21.653 0.310) 41.638 1.861 ( -27.862 17.563 1.315) 32.961 2.660 ( 3.280 -1.747 0.193) 3.722 2.790 ( 0.359 -3.276 -0.306) 3.310 2.921 ( 1.923 -2.318 -4.048) 5.046 2.969 ( 0.949 -2.002 2.322) 3.210 3.062 ( 0.470 1.213 -2.780) 3.069 3.205 ( 3.956 -0.621 -1.631) 4.323 3.296 ( 2.268 -1.346 -3.797) 4.623 3.400 ( 1.391 -0.994 7.396) 7.591 3.525 ( 3.031 -2.691 -1.746) 4.413 3.706 ( 3.022 -1.816 0.056) 3.526 3.787 ( 2.294 -0.511 -2.809) 3.662 3.833 ( 4.276 -2.719 1.161) 5.198 3.930 ( -2.022 2.164 0.088) 2.963 3.942 ( -2.348 2.202 -0.021) 3.219 4.143 ( 15.686 -10.006 -0.333) 18.609 4.149 ( 14.120 -9.091 -0.080) 16.794 4.515 ( 1.884 0.331 -0.630) 2.014 4.541 ( 1.225 -0.851 0.616) 1.614 4.909 ( 7.267 -4.372 0.078) 8.481 4.922 ( 6.959 -4.759 -0.089) 8.431 5.048 ( 4.097 -2.626 -0.070) 4.867 5.048 ( 4.133 -2.551 0.027) 4.856 6.045 ( 4.193 -2.308 -0.186) 4.790 6.078 ( 5.207 -1.896 0.147) 5.543 7.366 ( 0.335 1.447 0.032) 1.486 7.380 ( 0.646 1.735 -0.034) 1.851 7.589 ( -7.985 3.605 -0.065) 8.761 7.592 ( -7.890 3.514 0.138) 8.638 8.990 ( -2.605 2.320 -0.012) 3.488 9.002 ( -2.343 1.426 -0.120) 2.746 9.052 ( -2.139 -1.426 -0.048) 2.572 9.061 ( -2.966 -1.659 0.069) 3.399 9.135 ( -4.051 2.682 -0.183) 4.862 9.167 ( -2.920 1.882 0.212) 3.480 9.450 ( -2.808 3.605 0.056) 4.570 9.472 ( -2.913 3.546 -0.073) 4.590 9.628 ( -5.243 2.165 0.023) 5.672 9.636 ( -6.041 2.371 -0.059) 6.490 10.075 ( 0.508 0.038 0.771) 0.924 10.212 ( 2.674 -1.237 -1.337) 3.236 10.545 ( 8.163 -4.354 0.151) 9.253 10.571 ( 8.233 -4.515 -0.189) 9.392 10.746 ( 0.495 0.235 0.062) 0.552 10.760 ( 0.836 0.173 -0.077) 0.857 11.353 ( -3.312 0.939 0.521) 3.481 11.406 ( -2.763 0.299 0.117) 2.781 11.466 ( -1.019 1.762 -0.220) 2.047 11.470 ( -3.734 2.470 -0.618) 4.519 ======================= Grid point 3 (4/171) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( -23.069 12.072 0.440) 26.041 1.216 ( -12.998 7.388 0.554) 14.961 1.315 ( -14.783 3.460 0.040) 15.183 1.467 ( -12.528 4.925 -1.987) 13.607 2.455 ( -20.749 11.786 -0.606) 23.870 2.558 ( -12.102 6.684 -4.879) 14.661 2.682 ( -17.157 10.953 4.218) 20.787 2.762 ( -1.273 -2.396 1.592) 3.146 2.850 ( 1.358 -0.332 -3.746) 3.998 2.922 ( 3.022 -2.448 2.266) 4.501 3.047 ( 3.448 -0.031 1.175) 3.643 3.085 ( 4.108 -4.446 -1.019) 6.138 3.241 ( -1.506 1.231 -5.495) 5.829 3.414 ( 1.628 -0.847 1.666) 2.479 3.445 ( 2.040 -1.366 2.200) 3.296 3.612 ( 16.421 -8.200 0.195) 18.356 3.629 ( 3.229 -1.925 0.076) 3.760 3.681 ( 14.239 -6.158 -0.261) 15.515 3.808 ( 5.738 -4.479 -0.958) 7.342 3.820 ( 8.031 -5.234 -0.526) 9.601 4.015 ( -4.326 3.061 0.148) 5.302 4.032 ( -4.588 2.906 -0.130) 5.432 4.479 ( 2.122 0.187 -0.232) 2.143 4.509 ( 1.601 -0.742 0.230) 1.779 4.718 ( 8.304 -5.769 0.130) 10.112 4.731 ( 7.877 -6.351 -0.136) 10.120 4.882 ( 10.459 -5.284 0.168) 11.719 4.900 ( 9.172 -4.996 -0.187) 10.446 5.946 ( 3.972 -1.673 -0.809) 4.386 5.973 ( 4.751 -1.090 0.812) 4.941 7.376 ( 0.057 1.165 -0.031) 1.166 7.388 ( 0.293 1.483 0.024) 1.511 7.788 ( -9.337 4.823 -0.190) 10.511 7.794 ( -9.604 4.880 0.184) 10.774 8.953 ( 3.562 -3.597 -0.198) 5.067 8.978 ( 3.255 -3.060 0.201) 4.472 9.105 ( -3.869 0.948 -0.422) 4.006 9.121 ( -4.010 1.376 0.335) 4.253 9.312 ( -9.119 5.165 0.011) 10.480 9.317 ( -8.331 4.898 0.068) 9.665 9.537 ( -2.914 2.947 0.140) 4.146 9.555 ( -2.755 2.744 -0.179) 3.892 9.752 ( -5.598 2.615 0.155) 6.181 9.766 ( -5.637 2.731 -0.132) 6.265 10.067 ( 0.808 -0.092 0.441) 0.925 10.150 ( 2.386 -1.088 -1.370) 2.958 10.348 ( 8.991 -4.310 0.161) 9.972 10.366 ( 9.406 -4.589 -0.173) 10.467 10.739 ( 0.347 -0.067 0.035) 0.355 10.747 ( 0.576 -0.187 -0.042) 0.607 11.423 ( -3.061 0.805 0.916) 3.295 11.457 ( -2.300 0.637 0.049) 2.387 11.502 ( -0.988 1.890 -0.012) 2.133 11.548 ( -2.935 1.579 -0.940) 3.462 ======================= Grid point 4 (5/171) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( -16.451 8.549 1.077) 18.571 1.632 ( -16.482 6.045 -1.134) 17.592 1.691 ( -19.019 8.524 0.928) 20.862 1.707 ( -10.343 5.767 -0.983) 11.883 2.583 ( 0.039 -0.210 -1.338) 1.354 2.703 ( -0.952 -0.711 -2.258) 2.552 2.781 ( -0.341 -0.049 0.085) 0.355 2.818 ( -3.919 3.009 -0.257) 4.948 2.837 ( 3.672 -1.811 0.796) 4.171 2.892 ( 6.562 -5.179 -1.368) 8.470 2.991 ( 6.154 -3.923 4.858) 8.767 3.119 ( 18.144 -8.881 0.198) 20.202 3.233 ( 16.307 -8.436 -0.692) 18.373 3.257 ( -10.745 6.248 0.140) 12.430 3.360 ( 1.829 -1.064 -2.214) 3.063 3.477 ( -14.008 8.343 -0.355) 16.308 3.516 ( -4.483 0.661 2.275) 5.071 3.579 ( 0.931 0.746 0.184) 1.207 3.728 ( -0.967 0.694 -1.589) 1.986 3.823 ( -7.040 5.162 0.269) 8.734 4.143 ( -6.208 3.675 0.141) 7.216 4.162 ( -6.382 3.553 -0.126) 7.305 4.443 ( 2.168 -0.781 0.245) 2.318 4.473 ( 1.436 -2.064 -0.354) 2.539 4.514 ( 7.768 -6.057 0.172) 9.852 4.528 ( 6.294 -8.089 -0.117) 10.249 4.569 ( 18.470 -5.549 0.672) 19.298 4.619 ( 14.906 -6.822 -0.537) 16.402 5.880 ( 1.922 -0.544 -0.639) 2.098 5.903 ( 2.620 -0.331 0.649) 2.719 7.386 ( -0.049 0.687 -0.048) 0.691 7.398 ( 0.066 0.870 0.040) 0.874 7.986 ( -7.191 3.971 -0.183) 8.217 8.002 ( -7.671 4.162 0.158) 8.728 8.850 ( 3.543 -3.169 -0.045) 4.754 8.874 ( 3.961 -3.284 0.048) 5.146 9.171 ( -2.372 0.870 -0.195) 2.534 9.193 ( -2.468 0.978 0.139) 2.658 9.522 ( -8.460 4.676 -0.023) 9.666 9.528 ( -8.705 4.767 0.138) 9.925 9.606 ( -2.284 1.550 0.128) 2.764 9.616 ( -1.786 1.295 -0.172) 2.213 9.865 ( -4.179 2.112 0.029) 4.682 9.878 ( -3.922 2.324 -0.043) 4.559 10.041 ( 2.329 -0.972 0.466) 2.567 10.081 ( 4.313 -2.289 -0.668) 4.928 10.164 ( 6.852 -3.316 -0.114) 7.613 10.165 ( 6.886 -2.938 -0.136) 7.488 10.733 ( 0.207 -0.111 0.001) 0.235 10.737 ( 0.317 -0.184 -0.003) 0.366 11.477 ( -1.896 0.302 0.980) 2.156 11.494 ( -1.184 0.548 -0.341) 1.348 11.535 ( -0.667 1.340 0.262) 1.519 11.595 ( -1.490 0.654 -0.813) 1.819 ======================= Grid point 5 (6/171) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( 0.000 -0.000 0.000) 0.000 1.793 ( -0.000 0.000 -0.000) 0.000 1.891 ( -0.000 -0.000 0.000) 0.000 1.998 ( 0.000 -0.000 0.000) 0.000 2.565 ( -0.000 0.000 0.000) 0.000 2.682 ( -0.000 0.000 0.000) 0.000 2.739 ( -0.000 -0.000 0.000) 0.000 2.764 ( 0.000 0.000 0.000) 0.000 2.797 ( 0.000 0.000 0.000) 0.000 2.846 ( 0.000 0.000 0.000) 0.000 2.914 ( -0.000 0.000 0.000) 0.000 2.926 ( 0.000 -0.000 0.000) 0.000 2.989 ( -0.000 0.000 0.000) 0.000 3.331 ( 0.000 0.000 -0.000) 0.000 3.333 ( -0.000 -0.000 0.000) 0.000 3.539 ( -0.000 -0.000 0.000) 0.000 3.603 ( -0.000 0.000 0.000) 0.000 3.611 ( 0.000 0.000 0.000) 0.000 4.037 ( 0.000 -0.000 -0.000) 0.000 4.076 ( 0.000 -0.000 0.000) 0.000 4.201 ( 0.000 -0.000 0.000) 0.000 4.207 ( -0.000 0.000 0.000) 0.000 4.304 ( -0.000 -0.000 0.000) 0.000 4.327 ( -0.000 0.000 0.000) 0.000 4.343 ( -0.000 -0.000 0.000) 0.000 4.345 ( 0.000 -0.000 0.000) 0.000 4.450 ( -0.000 0.000 0.000) 0.000 4.476 ( -0.000 -0.000 -0.000) 0.000 5.860 ( -0.000 0.000 0.000) 0.000 5.880 ( -0.000 0.000 0.000) 0.000 7.390 ( -0.000 0.000 0.000) 0.000 7.402 ( -0.000 0.000 0.000) 0.000 8.078 ( -0.000 0.000 0.000) 0.000 8.102 ( -0.000 0.000 0.000) 0.000 8.795 ( -0.000 0.000 0.000) 0.000 8.813 ( 0.000 0.000 0.000) 0.000 9.197 ( -0.000 -0.000 0.000) 0.000 9.221 ( -0.000 -0.000 -0.000) 0.000 9.621 ( -0.000 0.000 0.000) 0.000 9.634 ( 0.000 -0.000 0.000) 0.000 9.653 ( -0.000 0.000 0.000) 0.000 9.671 ( -0.000 0.000 0.000) 0.000 9.930 ( -0.000 0.000 0.000) 0.000 9.955 ( -0.000 0.000 0.000) 0.000 9.957 ( 0.000 -0.000 -0.000) 0.000 9.972 ( 0.000 -0.000 0.000) 0.000 10.086 ( -0.000 0.000 0.000) 0.000 10.105 ( -0.000 -0.000 0.000) 0.000 10.731 ( -0.000 0.000 0.000) 0.000 10.733 ( -0.000 -0.000 0.000) 0.000 11.499 ( 0.000 0.000 -0.000) 0.000 11.506 ( -0.000 -0.000 0.000) 0.000 11.549 ( -0.000 0.000 0.000) 0.000 11.609 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 12 (7/171) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.117 ( -0.000 -0.000 14.966) 14.966 0.138 ( -0.000 -0.000 17.630) 17.630 0.205 ( -0.000 -0.000 26.654) 26.654 0.794 ( 0.000 0.000 -2.523) 2.523 0.939 ( 0.000 0.000 -3.167) 3.167 1.561 ( 0.000 0.000 -5.289) 5.289 2.817 ( 0.000 0.000 -2.252) 2.252 2.879 ( -0.000 -0.000 4.596) 4.596 2.954 ( 0.000 0.000 -5.049) 5.049 3.060 ( -0.000 -0.000 4.724) 4.724 3.231 ( 0.000 0.000 -1.836) 1.836 3.285 ( 0.000 0.000 -0.707) 0.707 3.470 ( 0.000 0.000 -1.600) 1.600 3.607 ( 0.000 0.000 -3.578) 3.578 3.651 ( -0.000 -0.000 0.039) 0.039 3.752 ( -0.000 -0.000 0.543) 0.543 3.794 ( 0.000 0.000 -0.022) 0.022 3.882 ( -0.000 -0.000 0.051) 0.051 3.888 ( 0.000 0.000 -0.033) 0.033 3.942 ( 0.000 0.000 -5.497) 5.497 4.500 ( 0.000 0.000 -0.646) 0.646 4.545 ( -0.000 -0.000 1.278) 1.278 4.568 ( 0.000 0.000 -1.894) 1.894 4.596 ( -0.000 -0.000 0.980) 0.980 5.093 ( -0.000 -0.000 0.068) 0.068 5.104 ( 0.000 0.000 -0.076) 0.076 5.124 ( -0.000 -0.000 0.024) 0.024 5.132 ( 0.000 0.000 -0.089) 0.089 6.157 ( -0.000 -0.000 0.266) 0.266 6.210 ( 0.000 0.000 -0.422) 0.422 7.350 ( -0.000 -0.000 0.121) 0.121 7.369 ( 0.000 0.000 -0.133) 0.133 7.405 ( -0.000 -0.000 0.060) 0.060 7.419 ( 0.000 0.000 -0.124) 0.124 8.882 ( 0.000 0.000 -0.057) 0.057 8.894 ( 0.000 0.000 -0.201) 0.201 8.934 ( -0.000 -0.000 0.232) 0.232 8.959 ( 0.000 0.000 -0.110) 0.110 9.169 ( -0.000 -0.000 0.068) 0.068 9.198 ( 0.000 0.000 -0.313) 0.313 9.342 ( -0.000 -0.000 0.025) 0.025 9.356 ( 0.000 0.000 -0.203) 0.203 9.471 ( -0.000 -0.000 0.283) 0.283 9.507 ( 0.000 0.000 -0.228) 0.228 10.298 ( 0.000 0.000 -0.987) 0.987 10.347 ( 0.000 0.000 -1.636) 1.636 10.744 ( -0.000 -0.000 0.109) 0.109 10.761 ( 0.000 0.000 -0.161) 0.161 10.779 ( -0.000 -0.000 0.193) 0.193 10.809 ( 0.000 0.000 -0.249) 0.249 11.271 ( -0.000 -0.000 0.199) 0.199 11.315 ( 0.000 0.000 -0.437) 0.437 11.361 ( -0.000 -0.000 0.406) 0.406 11.424 ( 0.000 0.000 -0.428) 0.428 ======================= Grid point 13 (8/171) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.331 ( -6.667 8.559 14.869) 18.406 0.471 ( -18.269 6.125 7.077) 20.527 0.948 ( -29.345 19.180 2.210) 35.127 0.973 ( -18.873 2.949 -1.149) 19.136 1.180 ( -19.148 16.142 -5.537) 25.649 1.441 ( 5.460 -2.090 -3.882) 7.017 2.783 ( 5.485 -1.972 2.480) 6.334 2.841 ( 3.926 -4.751 3.478) 7.077 2.945 ( -1.049 -2.221 -2.815) 3.736 2.986 ( -0.836 -2.516 1.344) 2.972 3.063 ( 2.728 0.705 -0.220) 2.826 3.213 ( 2.021 3.972 -2.615) 5.167 3.317 ( 0.962 0.670 1.021) 1.555 3.528 ( 6.084 -4.658 0.962) 7.722 3.594 ( 2.429 -1.542 -0.419) 2.907 3.759 ( 1.132 -1.014 0.161) 1.528 3.779 ( -1.439 0.119 -5.183) 5.381 3.882 ( -1.595 -1.908 -0.038) 2.487 3.895 ( -0.584 0.857 -0.293) 1.078 3.927 ( 1.646 -0.353 0.111) 1.687 4.416 ( 7.902 -4.090 -0.409) 8.907 4.452 ( 8.959 -6.079 0.190) 10.828 4.535 ( 0.974 -0.456 -0.924) 1.418 4.571 ( 1.020 -0.854 0.949) 1.634 5.047 ( 4.394 -1.893 0.103) 4.785 5.058 ( 4.238 -2.091 -0.116) 4.727 5.106 ( 1.051 -1.389 0.019) 1.742 5.112 ( 1.214 -1.394 -0.101) 1.851 6.128 ( 2.500 -1.605 0.298) 2.986 6.171 ( 3.119 -1.516 -0.445) 3.496 7.359 ( 0.455 1.681 0.140) 1.747 7.374 ( 0.671 1.802 -0.129) 1.927 7.451 ( -4.678 1.189 0.081) 4.828 7.460 ( -4.329 1.070 0.062) 4.460 8.915 ( -2.475 1.849 -0.064) 3.091 8.928 ( -2.684 1.786 -0.167) 3.228 8.969 ( -3.686 1.495 0.415) 3.999 8.991 ( -3.108 0.934 -0.159) 3.249 9.153 ( 1.389 -2.390 -0.592) 2.827 9.166 ( 0.808 -1.402 0.377) 1.661 9.374 ( -1.691 3.179 0.139) 3.604 9.392 ( -2.079 3.008 -0.109) 3.658 9.521 ( -4.451 1.208 0.137) 4.614 9.537 ( -2.961 1.017 -0.202) 3.137 10.111 ( 3.238 -1.667 4.981) 6.171 10.264 ( 2.332 -1.151 -1.752) 3.136 10.707 ( 4.577 -3.835 0.107) 5.972 10.726 ( 3.612 -3.902 -0.242) 5.323 10.754 ( 1.447 1.009 0.143) 1.770 10.775 ( 2.188 1.168 -0.224) 2.491 11.295 ( -2.289 0.538 0.432) 2.391 11.350 ( -3.457 0.151 -0.733) 3.537 11.388 ( -1.809 2.158 0.174) 2.821 11.434 ( -0.689 1.075 -0.533) 1.383 ======================= Grid point 14 (9/171) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.680 ( -16.422 11.088 6.537) 20.866 0.880 ( -17.621 7.005 4.401) 19.466 1.182 ( -12.476 3.427 -4.228) 13.612 1.201 ( 1.989 -2.420 -7.500) 8.128 1.820 ( -34.096 20.615 0.704) 39.850 1.874 ( -28.104 17.801 1.864) 33.319 2.662 ( 3.413 -2.362 0.381) 4.168 2.787 ( 0.191 -3.208 -0.352) 3.233 2.885 ( 2.750 -2.069 -5.019) 6.086 2.989 ( 0.090 -2.547 2.818) 3.799 3.026 ( 0.023 1.718 -6.208) 6.442 3.188 ( 3.179 -0.611 -2.670) 4.196 3.286 ( 3.456 -1.848 0.901) 4.021 3.453 ( 0.571 -0.668 6.031) 6.095 3.507 ( 3.438 -2.766 -2.595) 5.120 3.706 ( 3.091 -1.602 -0.157) 3.485 3.761 ( 1.489 -0.543 -3.709) 4.034 3.840 ( 4.094 -2.129 0.754) 4.676 3.931 ( -2.025 2.190 0.168) 2.988 3.942 ( -2.211 2.207 -0.083) 3.125 4.140 ( 16.124 -10.170 -0.466) 19.069 4.148 ( 13.953 -9.019 -0.181) 16.615 4.509 ( 1.315 -0.320 -0.713) 1.530 4.546 ( 1.701 -0.344 0.688) 1.867 4.910 ( 7.238 -4.409 0.149) 8.476 4.921 ( 6.976 -4.737 -0.167) 8.435 5.047 ( 4.100 -2.656 -0.074) 4.886 5.049 ( 4.132 -2.500 0.005) 4.830 6.043 ( 4.404 -2.508 -0.262) 5.075 6.079 ( 4.955 -1.704 0.197) 5.244 7.367 ( 0.383 1.459 0.055) 1.509 7.380 ( 0.603 1.727 -0.059) 1.830 7.589 ( -7.911 3.575 -0.045) 8.682 7.593 ( -7.916 3.528 0.155) 8.668 8.989 ( -2.730 2.266 -0.014) 3.548 9.001 ( -2.183 1.354 -0.198) 2.576 9.052 ( -2.242 -1.349 -0.063) 2.617 9.061 ( -2.871 -1.653 0.094) 3.314 9.133 ( -4.220 2.813 -0.258) 5.078 9.169 ( -2.808 1.836 0.303) 3.368 9.451 ( -2.837 3.604 0.094) 4.588 9.472 ( -2.885 3.519 -0.125) 4.552 9.628 ( -5.342 2.186 0.047) 5.772 9.635 ( -5.973 2.370 -0.106) 6.427 10.084 ( 0.962 -0.254 1.397) 1.715 10.197 ( 2.569 -1.209 -2.346) 3.684 10.547 ( 8.164 -4.362 0.292) 9.261 10.569 ( 8.215 -4.493 -0.363) 9.370 10.746 ( 0.516 0.229 0.113) 0.576 10.759 ( 0.805 0.176 -0.138) 0.835 11.359 ( -3.441 0.924 0.952) 3.688 11.407 ( -2.875 0.287 0.126) 2.892 11.463 ( -2.332 2.379 -0.618) 3.388 11.464 ( -2.323 1.937 -0.787) 3.125 ======================= Grid point 15 (10/171) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( -21.623 11.036 0.834) 24.290 1.219 ( -12.970 7.546 0.091) 15.006 1.319 ( -16.174 4.149 0.953) 16.725 1.447 ( -13.120 5.125 -3.008) 14.404 2.448 ( -19.227 10.474 -1.003) 21.918 2.524 ( -13.633 7.148 -3.846) 15.866 2.705 ( -12.363 7.841 1.739) 14.743 2.781 ( -3.373 0.494 2.687) 4.340 2.825 ( -1.944 0.849 -1.730) 2.738 2.941 ( 3.161 -3.490 2.510) 5.336 3.048 ( 1.891 1.368 -1.159) 2.606 3.071 ( 1.343 -2.992 -2.794) 4.309 3.213 ( 1.644 -0.502 -1.082) 2.031 3.396 ( 2.838 -2.038 -4.169) 5.439 3.486 ( 0.664 -0.708 6.135) 6.212 3.614 ( 16.519 -8.221 0.392) 18.456 3.629 ( 3.073 -1.921 -0.048) 3.624 3.677 ( 13.908 -6.044 -0.963) 15.195 3.800 ( 5.360 -3.775 -0.959) 6.626 3.814 ( 8.603 -5.665 -0.830) 10.334 4.016 ( -4.332 2.984 0.203) 5.264 4.031 ( -4.616 2.933 -0.182) 5.472 4.477 ( 1.626 -0.313 -0.259) 1.676 4.511 ( 2.022 -0.368 0.256) 2.071 4.719 ( 8.257 -5.842 0.201) 10.116 4.730 ( 7.920 -6.274 -0.208) 10.107 4.884 ( 10.294 -5.251 0.259) 11.559 4.898 ( 9.314 -5.009 -0.283) 10.579 5.940 ( 3.991 -1.761 -0.686) 4.416 5.979 ( 4.703 -1.028 0.689) 4.863 7.376 ( 0.117 1.229 -0.037) 1.235 7.388 ( 0.234 1.419 0.028) 1.438 7.787 ( -9.281 4.856 -0.163) 10.476 7.796 ( -9.633 4.844 0.154) 10.783 8.951 ( 3.435 -3.634 -0.215) 5.005 8.980 ( 3.357 -3.058 0.219) 4.546 9.101 ( -3.972 0.962 -0.397) 4.106 9.123 ( -3.908 1.401 0.289) 4.162 9.312 ( -9.147 5.220 0.016) 10.532 9.318 ( -8.314 4.849 0.081) 9.625 9.538 ( -2.927 2.964 0.213) 4.171 9.554 ( -2.753 2.710 -0.262) 3.872 9.753 ( -5.593 2.612 0.233) 6.178 9.765 ( -5.662 2.719 -0.204) 6.284 10.071 ( 0.872 -0.200 0.804) 1.203 10.137 ( 2.088 -0.972 -1.938) 3.010 10.350 ( 9.027 -4.359 0.259) 10.028 10.364 ( 9.360 -4.551 -0.281) 10.412 10.740 ( 0.377 -0.061 0.048) 0.385 10.746 ( 0.543 -0.190 -0.057) 0.578 11.431 ( -3.117 0.696 1.193) 3.409 11.458 ( -2.168 0.646 0.244) 2.276 11.502 ( -1.198 1.808 -0.118) 2.172 11.539 ( -2.895 1.747 -1.306) 3.625 ======================= Grid point 16 (11/171) ======================= q-point: ( 0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( -17.231 8.389 1.251) 19.206 1.624 ( -16.002 6.091 -0.959) 17.149 1.697 ( -14.010 5.959 0.143) 15.225 1.700 ( -15.402 8.284 -0.542) 17.497 2.572 ( -1.204 -0.831 -1.440) 2.053 2.686 ( -1.721 0.158 -1.895) 2.565 2.783 ( -0.454 0.299 0.458) 0.710 2.815 ( -2.995 2.166 -0.468) 3.725 2.843 ( 4.146 -2.558 0.986) 4.970 2.882 ( 6.428 -4.866 -1.244) 8.157 3.029 ( 7.827 -4.776 4.790) 10.345 3.119 ( 17.554 -9.505 -0.393) 19.966 3.229 ( 14.307 -6.487 -0.329) 15.713 3.258 ( -10.398 5.921 -0.117) 11.966 3.342 ( 1.347 -0.880 -2.286) 2.796 3.475 ( -14.661 9.345 -0.192) 17.387 3.534 ( -2.837 -0.674 2.395) 3.773 3.579 ( 0.136 -0.116 -0.096) 0.203 3.716 ( -0.614 0.842 -1.612) 1.919 3.825 ( -7.175 5.613 0.172) 9.111 4.144 ( -6.368 3.428 0.156) 7.234 4.161 ( -6.248 3.745 -0.142) 7.285 4.445 ( 1.706 -1.023 0.337) 2.017 4.470 ( 1.875 -2.192 -0.443) 2.918 4.515 ( 7.574 -6.409 0.216) 9.924 4.527 ( 6.793 -7.002 -0.182) 9.757 4.575 ( 18.048 -6.237 0.861) 19.114 4.614 ( 14.924 -6.614 -0.708) 16.339 5.875 ( 1.735 -0.627 -0.464) 1.902 5.908 ( 2.786 -0.292 0.474) 2.841 7.386 ( -0.008 0.780 -0.045) 0.781 7.398 ( 0.022 0.777 0.037) 0.778 7.985 ( -7.169 4.073 -0.159) 8.247 8.003 ( -7.695 4.070 0.133) 8.706 8.849 ( 3.463 -3.227 -0.043) 4.733 8.875 ( 4.029 -3.253 0.046) 5.179 9.170 ( -2.478 0.835 -0.179) 2.621 9.194 ( -2.372 1.034 0.123) 2.590 9.521 ( -8.410 4.659 -0.010) 9.614 9.529 ( -8.769 4.778 0.125) 9.987 9.607 ( -2.204 1.472 0.180) 2.657 9.615 ( -1.866 1.347 -0.224) 2.313 9.865 ( -4.062 2.040 0.027) 4.545 9.878 ( -4.033 2.329 -0.041) 4.657 10.045 ( 2.380 -1.103 0.695) 2.713 10.075 ( 3.788 -2.037 -0.911) 4.396 10.164 ( 6.456 -3.068 -0.115) 7.149 10.164 ( 7.447 -3.344 -0.118) 8.165 10.733 ( 0.234 -0.079 0.001) 0.247 10.736 ( 0.289 -0.214 -0.003) 0.360 11.483 ( -1.656 0.282 0.386) 1.723 11.494 ( -1.128 0.484 0.639) 1.384 11.536 ( -0.897 0.982 -0.091) 1.333 11.588 ( -1.592 1.010 -0.848) 2.067 ======================= Grid point 17 (12/171) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( -0.293 -0.028 0.215) 0.365 1.792 ( 0.299 -0.228 -0.258) 0.456 1.891 ( -0.126 -0.165 0.060) 0.217 1.997 ( 0.102 0.201 -0.018) 0.226 2.565 ( -1.033 -0.867 -0.005) 1.349 2.681 ( -0.556 0.412 -0.055) 0.694 2.740 ( 0.809 0.222 0.127) 0.848 2.764 ( -0.097 -1.272 -0.073) 1.278 2.797 ( 0.226 0.184 -0.094) 0.306 2.850 ( -1.436 0.494 1.175) 1.921 2.902 ( -3.861 2.162 -2.249) 4.964 2.930 ( 3.200 -1.344 0.611) 3.525 2.992 ( 2.339 -1.132 0.689) 2.688 3.320 ( -0.170 -0.016 -1.323) 1.334 3.344 ( -0.567 -0.234 1.255) 1.397 3.538 ( 0.557 0.437 -0.134) 0.721 3.604 ( -0.432 -0.416 0.239) 0.645 3.611 ( 0.178 -0.303 -0.158) 0.385 4.037 ( -7.081 3.975 -0.068) 8.120 4.077 ( 7.331 -4.308 0.073) 8.503 4.202 ( 1.503 -1.368 0.105) 2.035 4.207 ( -1.141 2.046 -0.108) 2.345 4.304 ( -2.905 -0.699 -0.019) 2.988 4.327 ( 2.674 0.117 0.022) 2.676 4.343 ( 1.013 0.009 -0.020) 1.013 4.345 ( -1.658 0.270 0.016) 1.680 4.449 ( -0.689 -0.341 -0.029) 0.769 4.476 ( 0.554 0.365 0.025) 0.664 5.860 ( -0.394 -0.137 -0.000) 0.418 5.880 ( 0.373 0.092 0.000) 0.384 7.390 ( 0.031 0.098 0.001) 0.102 7.402 ( -0.035 -0.098 -0.001) 0.104 8.078 ( -0.010 0.153 0.000) 0.154 8.102 ( 0.004 -0.143 -0.000) 0.144 8.795 ( -0.047 -0.078 0.001) 0.092 8.813 ( 0.035 0.056 -0.001) 0.066 9.197 ( -0.105 -0.043 -0.001) 0.113 9.221 ( 0.091 0.063 0.001) 0.111 9.621 ( 0.073 -0.221 0.008) 0.233 9.634 ( -0.154 0.316 -0.014) 0.351 9.653 ( 0.117 -0.206 0.008) 0.237 9.671 ( -0.011 0.055 -0.001) 0.056 9.930 ( -0.711 0.305 0.028) 0.774 9.954 ( 3.729 -2.099 -0.239) 4.286 9.959 ( -3.550 2.126 0.243) 4.145 9.972 ( 0.509 -0.497 -0.034) 0.712 10.086 ( 0.169 0.057 0.008) 0.179 10.105 ( -0.427 -0.040 -0.007) 0.429 10.731 ( 0.020 0.042 0.000) 0.047 10.733 ( -0.020 -0.040 -0.000) 0.045 11.495 ( 0.390 0.132 -0.570) 0.703 11.511 ( -0.039 -0.179 0.951) 0.968 11.547 ( -0.199 -0.469 -0.457) 0.684 11.610 ( -0.164 0.406 0.076) 0.445 ======================= Grid point 18 (13/171) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( 16.131 -8.678 -0.608) 18.327 1.641 ( 16.191 -5.789 0.919) 17.219 1.684 ( 19.869 -9.064 -0.802) 21.854 1.714 ( 9.815 -5.488 0.562) 11.259 2.592 ( -0.990 -0.293 0.774) 1.290 2.718 ( -0.146 1.903 1.512) 2.435 2.783 ( 0.601 -0.106 0.461) 0.765 2.819 ( 4.450 -3.572 0.072) 5.707 2.831 ( -3.188 0.944 -0.681) 3.394 2.904 ( -6.372 5.630 1.798) 8.691 2.956 ( -5.217 3.308 -4.092) 7.410 3.117 ( -18.606 8.385 -0.229) 20.410 3.238 ( -17.701 9.918 0.511) 20.296 3.256 ( 10.959 -6.482 -0.148) 12.733 3.374 ( -2.204 1.165 1.373) 2.846 3.481 ( 12.426 -6.584 0.654) 14.078 3.500 ( 7.057 -2.794 -1.820) 7.805 3.577 ( -1.610 -1.330 -0.175) 2.096 3.739 ( 1.200 -0.682 1.002) 1.706 3.821 ( 6.962 -4.770 -0.235) 8.442 4.142 ( 6.098 -3.850 -0.082) 7.212 4.163 ( 6.471 -3.425 0.072) 7.322 4.442 ( -2.433 0.571 -0.122) 2.502 4.475 ( -1.186 1.950 0.190) 2.290 4.513 ( -7.880 5.857 -0.093) 9.818 4.529 ( -5.951 9.026 0.046) 10.811 4.565 ( -18.817 4.930 -0.355) 19.455 4.623 ( -14.877 6.934 0.284) 16.416 5.885 ( -2.193 0.434 0.742) 2.356 5.898 ( -2.366 0.407 -0.748) 2.514 7.386 ( 0.086 -0.604 0.032) 0.611 7.397 ( -0.106 -0.954 -0.027) 0.960 7.988 ( 7.209 -3.858 0.133) 8.178 8.001 ( 7.651 -4.267 -0.117) 8.761 8.850 ( -3.611 3.120 0.029) 4.772 8.874 ( -3.903 3.311 -0.031) 5.119 9.172 ( 2.265 -0.907 0.132) 2.443 9.192 ( 2.566 -0.924 -0.098) 2.729 9.522 ( 8.516 -4.694 0.026) 9.724 9.527 ( 8.637 -4.754 -0.097) 9.859 9.605 ( 2.333 -1.598 -0.066) 2.829 9.617 ( 1.737 -1.268 0.093) 2.153 9.865 ( 4.269 -2.165 -0.019) 4.787 9.878 ( 3.837 -2.325 0.027) 4.486 10.038 ( -2.328 0.891 -0.232) 2.503 10.085 ( -4.698 2.468 0.349) 5.318 10.165 ( -7.431 3.607 0.061) 8.261 10.166 ( -6.175 2.520 0.102) 6.670 10.733 ( -0.185 0.137 -0.000) 0.230 10.737 ( -0.338 0.160 0.002) 0.374 11.470 ( 1.941 -0.371 -0.599) 2.064 11.497 ( 1.429 -0.537 0.356) 1.568 11.532 ( 0.426 -1.550 -0.291) 1.633 11.600 ( 1.411 -0.460 0.478) 1.559 ======================= Grid point 19 (14/171) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( 23.755 -12.594 -0.129) 26.888 1.212 ( 13.380 -7.415 -0.281) 15.300 1.316 ( 13.691 -2.996 0.089) 14.016 1.478 ( 12.221 -4.827 0.693) 13.158 2.458 ( 21.399 -12.376 0.199) 24.720 2.598 ( 8.161 -4.873 4.967) 10.725 2.645 ( 22.036 -13.422 -4.940) 26.271 2.755 ( 0.222 3.225 -0.300) 3.247 2.876 ( -2.676 1.791 2.724) 4.218 2.906 ( -2.503 0.801 -1.867) 3.224 3.037 ( -3.889 0.783 -0.954) 4.080 3.090 ( -5.488 4.900 0.322) 7.365 3.287 ( 2.974 -1.378 5.195) 6.142 3.375 ( -0.831 -0.833 -5.158) 5.290 3.450 ( -3.276 2.401 0.897) 4.160 3.611 ( -16.424 8.247 -0.054) 18.378 3.628 ( -3.350 1.910 -0.061) 3.857 3.682 ( -14.296 6.110 0.023) 15.547 3.813 ( -6.253 5.286 0.408) 8.197 3.822 ( -7.505 4.657 0.159) 8.834 4.014 ( 4.318 -3.110 -0.054) 5.322 4.033 ( 4.574 -2.892 0.047) 5.411 4.481 ( -2.500 -0.565 0.096) 2.564 4.507 ( -1.269 1.040 -0.095) 1.644 4.717 ( -8.329 5.731 -0.045) 10.110 4.732 ( -7.854 6.392 0.047) 10.126 4.881 ( -10.545 5.302 -0.058) 11.803 4.901 ( -9.100 4.989 0.065) 10.378 5.952 ( -3.826 1.627 0.547) 4.193 5.967 ( -4.915 1.121 -0.548) 5.071 7.376 ( -0.017 -1.122 0.012) 1.122 7.388 ( -0.332 -1.525 -0.010) 1.560 7.790 ( 9.376 -4.759 0.130) 10.515 7.793 ( 9.581 -4.947 -0.128) 10.784 8.954 ( -3.660 3.575 0.084) 5.117 8.977 ( -3.174 3.062 -0.085) 4.411 9.107 ( 3.734 -0.914 0.227) 3.851 9.118 ( 4.145 -1.387 -0.194) 4.375 9.312 ( 9.102 -5.126 -0.004) 10.446 9.317 ( 8.342 -4.934 -0.027) 9.692 9.536 ( 2.908 -2.940 -0.049) 4.136 9.556 ( 2.755 -2.760 0.063) 3.900 9.751 ( 5.598 -2.616 -0.055) 6.179 9.767 ( 5.624 -2.740 0.045) 6.256 10.064 ( -0.779 0.033 -0.139) 0.792 10.158 ( -2.561 1.153 0.496) 2.852 10.347 ( -8.970 4.283 -0.054) 9.940 10.367 ( -9.430 4.608 0.057) 10.496 10.739 ( -0.331 0.069 -0.013) 0.338 10.747 ( -0.594 0.186 0.015) 0.623 11.418 ( 3.017 -0.851 -0.335) 3.153 11.457 ( 2.404 -0.647 -0.004) 2.489 11.502 ( 0.865 -1.913 -0.005) 2.099 11.553 ( 2.940 -1.509 0.337) 3.322 ======================= Grid point 20 (15/171) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.630 ( 19.298 -12.928 -0.000) 23.228 0.844 ( 18.876 -7.374 -0.000) 20.265 1.216 ( 12.495 -3.262 -0.000) 12.913 1.264 ( -5.152 3.923 0.000) 6.476 1.815 ( 36.256 -22.140 -0.000) 42.482 1.856 ( 27.658 -17.394 -0.000) 32.673 2.659 ( -3.207 1.531 0.000) 3.554 2.791 ( -0.419 3.273 -0.000) 3.299 2.942 ( 0.091 3.471 -0.000) 3.472 2.955 ( -2.914 0.818 0.000) 3.027 3.071 ( -0.794 -1.095 0.000) 1.352 3.212 ( -4.357 0.747 0.000) 4.420 3.336 ( 2.385 -1.370 -0.000) 2.750 3.347 ( -5.771 3.558 0.000) 6.780 3.532 ( -2.827 2.641 0.000) 3.869 3.705 ( -2.980 1.855 0.000) 3.510 3.800 ( -2.532 -0.053 0.000) 2.533 3.826 ( -4.425 3.512 0.000) 5.649 3.930 ( 2.027 -2.149 -0.000) 2.954 3.942 ( 2.407 -2.205 -0.000) 3.264 4.144 ( -15.483 9.934 0.000) 18.396 4.149 ( -14.218 9.126 0.000) 16.895 4.517 ( -2.289 -0.792 0.000) 2.422 4.538 ( -0.856 1.256 0.000) 1.520 4.909 ( -7.277 4.359 0.000) 8.482 4.922 ( -6.953 4.766 0.000) 8.430 5.048 ( -4.282 2.646 0.000) 5.034 5.048 ( -3.947 2.539 0.000) 4.693 6.046 ( -4.098 2.221 0.000) 4.661 6.077 ( -5.317 1.979 0.000) 5.673 7.366 ( -0.318 -1.443 0.000) 1.478 7.380 ( -0.661 -1.737 0.000) 1.859 7.590 ( 8.047 -3.634 -0.000) 8.830 7.591 ( 7.848 -3.491 -0.000) 8.589 8.990 ( 2.563 -2.341 -0.000) 3.471 9.003 ( 2.399 -1.454 -0.000) 2.805 9.053 ( 2.095 1.455 -0.000) 2.551 9.060 ( 3.007 1.662 -0.000) 3.436 9.135 ( 3.978 -2.627 -0.000) 4.767 9.166 ( 2.972 -1.904 -0.000) 3.529 9.450 ( 2.799 -3.607 -0.000) 4.565 9.473 ( 2.922 -3.556 -0.000) 4.603 9.628 ( 5.209 -2.157 -0.000) 5.637 9.636 ( 6.064 -2.371 -0.000) 6.510 10.072 ( -0.321 -0.156 0.000) 0.357 10.217 ( -2.715 1.247 0.000) 2.987 10.544 ( -8.162 4.351 0.000) 9.250 10.572 ( -8.240 4.523 0.000) 9.400 10.745 ( -0.488 -0.237 0.000) 0.543 10.760 ( -0.847 -0.172 0.000) 0.865 11.351 ( 3.264 -0.941 -0.000) 3.397 11.405 ( 2.738 -0.310 -0.000) 2.756 11.467 ( 0.965 -1.733 -0.000) 1.984 11.473 ( 3.803 -2.465 -0.000) 4.532 ======================= Grid point 23 (16/171) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.232 ( -0.000 -0.000 14.443) 14.443 0.273 ( -0.000 -0.000 16.880) 16.880 0.416 ( -0.000 -0.000 27.584) 27.584 0.765 ( 0.000 0.000 -4.812) 4.812 0.903 ( 0.000 0.000 -6.134) 6.134 1.499 ( 0.000 0.000 -10.762) 10.762 2.804 ( 0.000 0.000 -1.108) 1.108 2.914 ( 0.000 0.000 -5.072) 5.072 2.919 ( -0.000 -0.000 5.594) 5.594 3.093 ( -0.000 -0.000 3.453) 3.453 3.217 ( 0.000 0.000 -1.405) 1.405 3.280 ( 0.000 0.000 -0.272) 0.272 3.452 ( 0.000 0.000 -3.033) 3.033 3.565 ( 0.000 0.000 -7.039) 7.039 3.651 ( -0.000 -0.000 0.058) 0.058 3.758 ( -0.000 -0.000 0.933) 0.933 3.793 ( 0.000 0.000 -0.122) 0.122 3.883 ( -0.000 -0.000 0.094) 0.094 3.883 ( 0.000 0.000 -9.249) 9.249 3.888 ( 0.000 0.000 -0.065) 0.065 4.495 ( 0.000 0.000 -0.497) 0.497 4.552 ( 0.000 0.000 -2.251) 2.251 4.557 ( -0.000 -0.000 1.760) 1.760 4.602 ( -0.000 -0.000 0.545) 0.545 5.094 ( -0.000 -0.000 0.130) 0.130 5.103 ( 0.000 0.000 -0.143) 0.143 5.124 ( -0.000 -0.000 0.055) 0.055 5.131 ( 0.000 0.000 -0.159) 0.159 6.160 ( -0.000 -0.000 0.530) 0.530 6.205 ( 0.000 0.000 -0.781) 0.781 7.351 ( -0.000 -0.000 0.228) 0.228 7.367 ( 0.000 0.000 -0.246) 0.246 7.406 ( -0.000 -0.000 0.118) 0.118 7.417 ( 0.000 0.000 -0.223) 0.223 8.882 ( 0.000 0.000 -0.059) 0.059 8.892 ( 0.000 0.000 -0.345) 0.345 8.936 ( -0.000 -0.000 0.411) 0.411 8.957 ( 0.000 0.000 -0.227) 0.227 9.170 ( -0.000 -0.000 0.164) 0.164 9.195 ( 0.000 0.000 -0.560) 0.560 9.342 ( -0.000 -0.000 0.060) 0.060 9.354 ( 0.000 0.000 -0.343) 0.343 9.474 ( -0.000 -0.000 0.516) 0.516 9.505 ( 0.000 0.000 -0.434) 0.434 10.288 ( 0.000 0.000 -1.485) 1.485 10.330 ( 0.000 0.000 -2.716) 2.716 10.745 ( -0.000 -0.000 0.206) 0.206 10.760 ( 0.000 0.000 -0.266) 0.266 10.781 ( -0.000 -0.000 0.341) 0.341 10.807 ( 0.000 0.000 -0.454) 0.454 11.273 ( -0.000 -0.000 0.371) 0.371 11.310 ( 0.000 0.000 -0.791) 0.791 11.366 ( -0.000 -0.000 0.773) 0.773 11.419 ( 0.000 0.000 -0.809) 0.809 ======================= Grid point 24 (17/171) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.464 ( -4.087 5.627 18.844) 20.086 0.537 ( -16.308 4.788 9.689) 19.565 0.924 ( -11.631 1.981 -5.932) 13.206 1.004 ( -33.509 19.259 6.331) 39.164 1.124 ( -15.471 12.864 -8.341) 21.781 1.400 ( -0.266 2.129 -6.420) 6.769 2.795 ( 2.164 -0.923 1.100) 2.597 2.872 ( 8.345 -8.888 3.709) 12.743 2.916 ( -0.817 -0.573 -3.910) 4.036 3.001 ( 1.464 -5.545 1.363) 5.895 3.053 ( 5.886 0.425 -1.374) 6.059 3.194 ( 3.177 4.379 -2.310) 5.883 3.333 ( -0.889 -0.806 3.057) 3.284 3.533 ( 4.554 -4.052 0.505) 6.117 3.589 ( 2.977 -1.217 -0.608) 3.273 3.725 ( 0.000 1.946 -7.648) 7.892 3.765 ( -0.923 -3.489 0.554) 3.652 3.880 ( -1.231 -1.319 -0.365) 1.840 3.893 ( -0.617 0.757 -0.169) 0.991 3.924 ( 1.368 1.867 -0.787) 2.445 4.413 ( 7.660 -4.558 -0.361) 8.921 4.453 ( 9.467 -4.881 -0.026) 10.651 4.529 ( 0.451 -1.930 -0.609) 2.074 4.578 ( 1.294 -0.251 0.696) 1.490 5.048 ( 4.374 -1.924 0.162) 4.781 5.057 ( 4.248 -2.086 -0.180) 4.736 5.106 ( 1.069 -1.376 0.049) 1.743 5.111 ( 1.199 -1.374 -0.151) 1.830 6.131 ( 2.596 -1.707 0.496) 3.146 6.167 ( 2.962 -1.427 -0.690) 3.359 7.360 ( 0.493 1.660 0.209) 1.744 7.373 ( 0.652 1.847 -0.204) 1.969 7.451 ( -4.667 1.159 0.130) 4.810 7.460 ( -4.416 1.131 -0.036) 4.558 8.914 ( -2.497 1.752 -0.044) 3.051 8.927 ( -2.746 1.947 -0.238) 3.375 8.973 ( -3.495 1.372 0.492) 3.787 8.989 ( -3.108 0.988 -0.260) 3.271 9.149 ( 1.433 -2.577 -0.489) 2.989 9.169 ( 0.677 -1.114 0.238) 1.325 9.375 ( -1.708 2.982 0.105) 3.438 9.391 ( -2.106 3.137 -0.136) 3.781 9.522 ( -4.259 1.180 0.222) 4.425 9.535 ( -3.093 1.042 -0.302) 3.278 10.148 ( 5.114 -2.753 4.308) 7.231 10.248 ( 2.585 -1.313 -2.326) 3.717 10.708 ( 4.426 -3.773 0.184) 5.819 10.724 ( 3.729 -3.902 -0.359) 5.409 10.755 ( 1.497 1.033 0.215) 1.831 10.773 ( 2.050 1.148 -0.315) 2.371 11.300 ( -2.435 0.569 0.668) 2.588 11.343 ( -3.579 0.504 -1.128) 3.786 11.390 ( -1.493 1.770 0.575) 2.386 11.429 ( -0.773 1.092 -0.837) 1.578 ======================= Grid point 25 (18/171) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( -13.135 9.086 9.603) 18.636 0.920 ( -15.943 6.704 5.485) 18.144 1.130 ( -1.659 -0.317 -9.686) 9.832 1.147 ( -12.628 2.983 -5.811) 14.217 1.827 ( -32.540 19.522 0.832) 37.956 1.889 ( -28.217 17.957 1.683) 33.489 2.666 ( 3.388 -3.263 0.520) 4.732 2.785 ( 0.148 -2.963 -0.213) 2.975 2.847 ( 2.992 -1.874 -4.302) 5.565 2.968 ( -1.135 0.839 -7.244) 7.380 3.017 ( 0.619 -1.695 3.529) 3.964 3.164 ( 2.787 -0.618 -3.311) 4.371 3.305 ( 3.596 -2.156 3.534) 5.483 3.471 ( 4.252 -2.705 -2.601) 5.671 3.509 ( -0.218 -0.757 4.184) 4.258 3.700 ( 2.468 -0.540 -1.730) 3.062 3.734 ( 1.184 -0.826 -2.680) 3.044 3.844 ( 3.849 -1.767 0.310) 4.247 3.933 ( -2.064 2.199 0.230) 3.025 3.941 ( -2.067 2.237 -0.173) 3.051 4.136 ( 16.574 -10.335 -0.417) 19.537 4.147 ( 13.826 -8.955 -0.204) 16.474 4.504 ( 0.887 -0.823 -0.558) 1.332 4.551 ( 2.016 -0.010 0.529) 2.085 4.911 ( 7.195 -4.466 0.208) 8.470 4.919 ( 7.005 -4.700 -0.226) 8.439 5.047 ( 4.109 -2.676 -0.062) 4.904 5.049 ( 4.126 -2.454 -0.007) 4.800 6.041 ( 4.620 -2.718 -0.228) 5.365 6.081 ( 4.689 -1.503 0.160) 4.926 7.367 ( 0.450 1.474 0.060) 1.542 7.379 ( 0.541 1.717 -0.064) 1.801 7.589 ( -7.848 3.553 -0.021) 8.615 7.594 ( -7.928 3.536 0.121) 8.682 8.989 ( -2.934 2.204 -0.005) 3.669 9.000 ( -1.935 1.265 -0.206) 2.321 9.051 ( -2.357 -1.255 -0.050) 2.671 9.062 ( -2.767 -1.648 0.078) 3.222 9.131 ( -4.400 2.956 -0.224) 5.305 9.171 ( -2.698 1.797 0.269) 3.253 9.452 ( -2.880 3.612 0.101) 4.621 9.471 ( -2.845 3.480 -0.136) 4.497 9.629 ( -5.495 2.215 0.068) 5.925 9.634 ( -5.858 2.366 -0.128) 6.320 10.097 ( 1.463 -0.582 1.869) 2.444 10.176 ( 2.433 -1.168 -2.858) 3.930 10.549 ( 8.165 -4.375 0.414) 9.272 10.566 ( 8.192 -4.462 -0.495) 9.342 10.747 ( 0.549 0.220 0.139) 0.607 10.758 ( 0.760 0.182 -0.164) 0.798 11.367 ( -3.610 0.859 1.206) 3.902 11.407 ( -3.184 0.363 -0.096) 3.206 11.455 ( -2.953 2.387 -0.970) 3.919 11.460 ( -1.395 1.985 -0.472) 2.471 ======================= Grid point 26 (19/171) ======================= q-point: ( 0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( -19.362 9.519 1.112) 21.604 1.216 ( -14.477 8.321 -0.711) 16.713 1.331 ( -16.568 4.551 2.274) 17.332 1.421 ( -13.957 5.468 -3.550) 15.405 2.440 ( -16.926 8.561 -1.131) 19.002 2.500 ( -15.621 8.064 -2.290) 17.728 2.713 ( -8.945 5.310 0.400) 10.410 2.782 ( 0.208 1.137 -1.716) 2.069 2.843 ( -9.709 3.477 5.355) 11.620 2.959 ( 2.437 -4.099 1.949) 5.152 3.027 ( -4.924 4.746 -4.308) 8.082 3.047 ( 5.009 -3.752 -2.846) 6.874 3.223 ( 4.560 -2.395 3.025) 5.973 3.360 ( 2.495 -1.833 -4.884) 5.782 3.531 ( 0.353 -1.146 5.027) 5.168 3.618 ( 16.252 -8.393 0.655) 18.303 3.629 ( 3.463 -2.025 -0.111) 4.013 3.665 ( 13.330 -5.467 -1.960) 14.541 3.794 ( 5.170 -3.374 -0.432) 6.189 3.807 ( 9.277 -5.972 -0.916) 11.070 4.018 ( -4.325 2.899 0.195) 5.210 4.030 ( -4.655 2.972 -0.179) 5.526 4.476 ( 1.220 -0.728 -0.194) 1.434 4.512 ( 2.353 -0.080 0.191) 2.363 4.721 ( 8.194 -5.949 0.243) 10.128 4.728 ( 7.980 -6.163 -0.249) 10.086 4.886 ( 10.058 -5.213 0.313) 11.333 4.896 ( 9.526 -5.028 -0.331) 10.777 5.936 ( 3.976 -1.838 -0.447) 4.403 5.983 ( 4.689 -0.976 0.449) 4.810 7.376 ( 0.173 1.288 -0.029) 1.300 7.389 ( 0.180 1.360 0.022) 1.372 7.786 ( -9.234 4.874 -0.107) 10.442 7.797 ( -9.654 4.822 0.100) 10.792 8.950 ( 3.331 -3.670 -0.157) 4.959 8.981 ( 3.435 -3.057 0.160) 4.601 9.099 ( -4.037 0.967 -0.273) 4.160 9.125 ( -3.845 1.434 0.186) 4.108 9.312 ( -9.175 5.269 0.015) 10.580 9.318 ( -8.298 4.806 0.064) 9.589 9.540 ( -2.950 3.005 0.237) 4.218 9.552 ( -2.742 2.653 -0.277) 3.825 9.755 ( -5.573 2.603 0.271) 6.156 9.763 ( -5.703 2.713 -0.248) 6.320 10.079 ( 0.986 -0.339 1.226) 1.609 10.121 ( 1.743 -0.824 -2.134) 2.876 10.352 ( 9.075 -4.428 0.329) 10.103 10.362 ( 9.301 -4.493 -0.352) 10.336 10.740 ( 0.414 -0.054 0.045) 0.420 10.746 ( 0.504 -0.194 -0.052) 0.542 11.440 ( -3.038 0.507 0.861) 3.198 11.462 ( -2.220 0.702 0.729) 2.440 11.500 ( -1.465 1.605 -0.402) 2.209 11.529 ( -2.751 2.070 -1.182) 3.640 ======================= Grid point 27 (20/171) ======================= q-point: ( 0.60 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( -18.799 8.291 0.932) 20.567 1.618 ( -14.481 6.007 -0.582) 15.688 1.691 ( -10.213 5.366 -0.794) 11.564 1.702 ( -19.429 8.928 0.381) 21.385 2.562 ( -2.239 -1.318 -0.935) 2.761 2.675 ( -2.080 0.617 -1.009) 2.393 2.787 ( -0.975 0.997 0.439) 1.462 2.812 ( -1.935 1.264 -0.445) 2.354 2.852 ( 4.756 -3.159 1.199) 5.834 2.872 ( 5.928 -4.556 -1.279) 7.585 3.064 ( 9.700 -5.779 4.086) 12.008 3.112 ( 16.992 -9.845 -1.579) 19.701 3.229 ( 12.656 -5.014 0.294) 13.616 3.255 ( -10.126 5.628 -0.478) 11.595 3.326 ( 0.699 -0.547 -1.454) 1.703 3.474 ( -14.854 9.876 -0.086) 17.837 3.552 ( -2.010 -1.250 2.104) 3.167 3.576 ( -0.459 -1.098 -0.683) 1.372 3.705 ( -0.277 1.103 -1.035) 1.537 3.826 ( -7.303 5.960 0.069) 9.426 4.146 ( -6.529 3.185 0.108) 7.265 4.160 ( -6.108 3.944 -0.099) 7.271 4.448 ( 1.070 -1.193 0.299) 1.630 4.467 ( 2.487 -2.299 -0.363) 3.406 4.517 ( 7.295 -6.933 0.184) 10.066 4.526 ( 7.312 -6.002 -0.171) 9.462 4.582 ( 17.807 -6.865 0.756) 19.099 4.609 ( 14.847 -6.277 -0.655) 16.133 5.872 ( 1.619 -0.681 -0.243) 1.773 5.910 ( 2.886 -0.273 0.249) 2.910 7.385 ( 0.022 0.847 -0.027) 0.848 7.398 ( -0.010 0.709 0.022) 0.709 7.984 ( -7.152 4.138 -0.090) 8.264 8.004 ( -7.714 4.012 0.074) 8.695 8.849 ( 3.401 -3.272 -0.026) 4.719 8.875 ( 4.082 -3.229 0.028) 5.205 9.168 ( -2.551 0.812 -0.104) 2.679 9.195 ( -2.308 1.074 0.070) 2.546 9.521 ( -8.379 4.647 -0.002) 9.581 9.529 ( -8.813 4.784 0.073) 10.028 9.609 ( -2.090 1.352 0.205) 2.498 9.613 ( -1.980 1.446 -0.233) 2.463 9.865 ( -3.962 1.977 0.015) 4.428 9.877 ( -4.128 2.337 -0.024) 4.743 10.052 ( 2.529 -1.282 0.893) 2.972 10.067 ( 3.255 -1.762 -1.033) 3.843 10.163 ( 6.614 -3.168 -0.051) 7.334 10.163 ( 7.424 -3.370 -0.085) 8.154 10.733 ( 0.257 -0.052 0.001) 0.262 10.736 ( 0.267 -0.238 -0.002) 0.358 11.483 ( -1.261 0.353 -0.119) 1.315 11.503 ( -1.256 0.378 1.192) 1.773 11.533 ( -1.115 0.521 -0.503) 1.329 11.583 ( -1.671 1.434 -0.517) 2.262 ======================= Grid point 28 (21/171) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( -1.108 0.156 0.327) 1.166 1.790 ( 1.117 -0.570 -0.353) 1.303 1.892 ( -0.204 -0.270 0.037) 0.340 1.997 ( 0.165 0.326 -0.011) 0.366 2.565 ( -1.672 -1.403 -0.003) 2.183 2.681 ( -0.885 0.664 -0.033) 1.107 2.741 ( 1.421 0.452 0.086) 1.493 2.763 ( -0.335 -2.162 -0.058) 2.189 2.796 ( 0.322 0.304 -0.044) 0.444 2.863 ( -2.373 0.882 1.785) 3.097 2.884 ( -3.808 2.057 -2.211) 4.860 2.933 ( 3.077 -0.842 0.169) 3.194 2.997 ( 3.602 -1.804 0.390) 4.047 3.313 ( -0.430 -0.073 -0.520) 0.679 3.351 ( -0.779 -0.330 0.477) 0.971 3.537 ( 0.891 0.693 -0.082) 1.132 3.606 ( -1.212 -0.663 0.288) 1.411 3.609 ( 0.815 -0.482 -0.239) 0.977 4.036 ( -11.176 6.272 -0.041) 12.816 4.077 ( 11.581 -6.812 0.044) 13.436 4.203 ( 3.876 -4.020 0.108) 5.585 4.206 ( -3.289 5.118 -0.110) 6.085 4.303 ( -4.655 -1.123 -0.012) 4.789 4.327 ( 4.292 0.179 0.014) 4.296 4.343 ( 1.343 0.046 -0.011) 1.344 4.345 ( -2.399 0.408 0.008) 2.434 4.449 ( -1.101 -0.543 -0.018) 1.228 4.476 ( 0.883 0.582 0.015) 1.058 5.860 ( -0.638 -0.222 -0.000) 0.676 5.880 ( 0.603 0.149 0.000) 0.622 7.390 ( 0.050 0.158 0.000) 0.166 7.402 ( -0.057 -0.159 -0.000) 0.168 8.078 ( -0.017 0.248 0.000) 0.249 8.102 ( 0.007 -0.232 -0.000) 0.232 8.795 ( -0.077 -0.127 0.000) 0.148 8.813 ( 0.056 0.091 -0.000) 0.107 9.197 ( -0.169 -0.069 -0.001) 0.183 9.221 ( 0.147 0.102 0.001) 0.179 9.621 ( 0.120 -0.362 0.005) 0.381 9.633 ( -0.249 0.513 -0.009) 0.571 9.653 ( 0.189 -0.332 0.005) 0.382 9.671 ( -0.017 0.088 -0.001) 0.090 9.931 ( -1.189 0.513 0.018) 1.295 9.952 ( 4.163 -2.319 -0.100) 4.766 9.960 ( -3.913 2.406 0.103) 4.594 9.972 ( 0.900 -0.867 -0.023) 1.250 10.086 ( 0.277 0.092 0.005) 0.291 10.105 ( -0.694 -0.065 -0.004) 0.697 10.731 ( 0.033 0.069 0.000) 0.076 10.733 ( -0.032 -0.066 -0.000) 0.073 11.492 ( 0.477 0.112 -0.216) 0.535 11.517 ( 0.203 -0.110 0.543) 0.590 11.543 ( -0.439 -0.817 -0.372) 1.000 11.610 ( -0.261 0.638 0.045) 0.691 ======================= Grid point 29 (22/171) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( 16.044 -8.726 -0.000) 18.264 1.645 ( 15.791 -5.525 -0.000) 16.730 1.680 ( 20.392 -9.405 -0.000) 22.457 1.716 ( 9.667 -5.413 -0.000) 11.079 2.595 ( -1.338 -0.482 0.000) 1.422 2.725 ( -0.711 2.538 -0.000) 2.635 2.785 ( 0.736 -0.241 -0.000) 0.774 2.820 ( 4.691 -3.807 -0.000) 6.042 2.828 ( -2.986 0.472 0.000) 3.023 2.916 ( -6.481 7.225 0.000) 9.706 2.934 ( -4.688 1.733 0.000) 4.998 3.116 ( -18.784 8.210 0.000) 20.500 3.240 ( -18.232 10.487 0.000) 21.033 3.256 ( 11.069 -6.596 -0.000) 12.886 3.380 ( -2.369 1.201 0.000) 2.656 3.487 ( 8.881 -1.259 -0.000) 8.969 3.489 ( 11.037 -8.283 -0.000) 13.800 3.576 ( -1.879 -1.537 0.000) 2.427 3.743 ( 1.273 -0.701 -0.000) 1.453 3.820 ( 6.945 -4.611 -0.000) 8.336 4.142 ( 6.058 -3.912 -0.000) 7.212 4.163 ( 6.502 -3.381 -0.000) 7.328 4.441 ( -2.518 0.488 0.000) 2.565 4.476 ( -1.106 1.903 0.000) 2.201 4.512 ( -7.917 5.791 0.000) 9.809 4.529 ( -5.836 9.410 0.000) 11.073 4.564 ( -18.941 4.669 0.000) 19.508 4.624 ( -14.865 6.970 0.000) 16.418 5.890 ( -2.874 0.150 0.000) 2.878 5.893 ( -1.691 0.677 0.000) 1.822 7.386 ( 0.102 -0.570 0.000) 0.579 7.397 ( -0.122 -0.989 0.000) 0.996 7.988 ( 7.216 -3.800 -0.000) 8.156 8.000 ( 7.643 -4.322 -0.000) 8.781 8.850 ( -3.638 3.100 0.000) 4.780 8.874 ( -3.880 3.322 0.000) 5.108 9.173 ( 2.216 -0.924 -0.000) 2.401 9.192 ( 2.611 -0.901 -0.000) 2.762 9.522 ( 8.545 -4.703 -0.000) 9.754 9.526 ( 8.603 -4.747 -0.000) 9.826 9.605 ( 2.349 -1.614 -0.000) 2.851 9.618 ( 1.721 -1.260 -0.000) 2.133 9.865 ( 4.303 -2.185 -0.000) 4.826 9.878 ( 3.805 -2.327 -0.000) 4.460 10.037 ( -2.332 0.864 0.000) 2.487 10.086 ( -4.839 2.533 0.000) 5.461 10.165 ( -7.591 3.676 0.000) 8.434 10.167 ( -5.967 2.403 0.000) 6.433 10.733 ( -0.177 0.147 0.000) 0.230 10.737 ( -0.347 0.151 0.000) 0.378 11.468 ( 1.957 -0.396 -0.000) 1.996 11.499 ( 1.556 -0.522 -0.000) 1.641 11.531 ( 0.302 -1.625 0.000) 1.653 11.602 ( 1.383 -0.400 -0.000) 1.439 ======================= Grid point 34 (23/171) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.341 ( -0.000 -0.000 13.465) 13.465 0.399 ( -0.000 -0.000 15.197) 15.197 0.634 ( -0.000 -0.000 28.229) 28.229 0.721 ( 0.000 0.000 -6.346) 6.346 0.845 ( 0.000 0.000 -8.679) 8.679 1.393 ( 0.000 0.000 -16.348) 16.348 2.800 ( -0.000 -0.000 0.165) 0.165 2.877 ( 0.000 0.000 -4.438) 4.438 2.965 ( -0.000 -0.000 6.078) 6.078 3.107 ( 0.000 0.000 -0.050) 0.050 3.217 ( -0.000 -0.000 1.890) 1.890 3.286 ( -0.000 -0.000 2.013) 2.013 3.424 ( 0.000 0.000 -4.175) 4.175 3.498 ( 0.000 0.000 -10.188) 10.188 3.653 ( -0.000 -0.000 0.554) 0.554 3.766 ( -0.000 -0.000 1.098) 1.098 3.791 ( 0.000 0.000 -0.323) 0.323 3.806 ( 0.000 0.000 -9.917) 9.917 3.883 ( -0.000 -0.000 0.124) 0.124 3.887 ( 0.000 0.000 -0.093) 0.093 4.493 ( -0.000 -0.000 0.051) 0.051 4.534 ( 0.000 0.000 -2.251) 2.251 4.571 ( -0.000 -0.000 1.800) 1.800 4.604 ( 0.000 0.000 -0.027) 0.027 5.095 ( -0.000 -0.000 0.181) 0.181 5.102 ( 0.000 0.000 -0.194) 0.194 5.125 ( -0.000 -0.000 0.094) 0.094 5.130 ( 0.000 0.000 -0.199) 0.199 6.165 ( -0.000 -0.000 0.779) 0.779 6.198 ( 0.000 0.000 -1.030) 1.030 7.354 ( -0.000 -0.000 0.312) 0.312 7.365 ( 0.000 0.000 -0.327) 0.327 7.407 ( -0.000 -0.000 0.173) 0.173 7.415 ( 0.000 0.000 -0.282) 0.282 8.881 ( -0.000 -0.000 0.009) 0.009 8.889 ( 0.000 0.000 -0.401) 0.401 8.940 ( -0.000 -0.000 0.516) 0.516 8.955 ( 0.000 0.000 -0.346) 0.346 9.172 ( -0.000 -0.000 0.301) 0.301 9.190 ( 0.000 0.000 -0.697) 0.697 9.342 ( -0.000 -0.000 0.115) 0.115 9.351 ( 0.000 0.000 -0.391) 0.391 9.478 ( -0.000 -0.000 0.673) 0.673 9.501 ( 0.000 0.000 -0.598) 0.598 10.277 ( 0.000 0.000 -1.233) 1.233 10.307 ( 0.000 0.000 -2.916) 2.916 10.747 ( -0.000 -0.000 0.280) 0.280 10.757 ( 0.000 0.000 -0.322) 0.322 10.784 ( -0.000 -0.000 0.454) 0.454 10.803 ( 0.000 0.000 -0.585) 0.585 11.276 ( -0.000 -0.000 0.530) 0.530 11.303 ( 0.000 0.000 -0.991) 0.991 11.373 ( -0.000 -0.000 1.066) 1.066 11.412 ( 0.000 0.000 -1.103) 1.103 ======================= Grid point 35 (24/171) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.614 ( -9.916 4.820 14.526) 18.236 0.620 ( -7.893 2.944 15.886) 17.981 0.869 ( -11.165 1.512 -7.812) 13.710 1.016 ( -18.009 13.159 -8.796) 23.976 1.090 ( -22.335 13.835 4.713) 26.692 1.343 ( -8.001 7.710 -8.211) 13.816 2.805 ( 0.540 -0.713 1.494) 1.741 2.881 ( 0.328 -1.902 -2.727) 3.341 2.898 ( 8.774 -9.533 0.497) 12.966 2.999 ( 5.830 -7.832 -1.560) 9.888 3.057 ( 4.808 1.596 2.350) 5.585 3.174 ( 5.193 5.322 -3.103) 8.057 3.365 ( -2.929 -3.646 5.004) 6.849 3.536 ( 3.253 -3.238 0.317) 4.601 3.584 ( 2.523 -0.642 -0.729) 2.704 3.661 ( -0.128 2.119 -8.411) 8.675 3.770 ( -0.542 -3.465 0.574) 3.554 3.876 ( -1.010 -0.519 -0.582) 1.276 3.892 ( -0.695 0.697 -0.069) 0.987 3.918 ( 0.794 3.296 -0.788) 3.481 4.410 ( 7.541 -5.032 -0.194) 9.068 4.452 ( 9.611 -3.554 -0.217) 10.249 4.526 ( 0.329 -3.297 -0.263) 3.324 4.582 ( 1.388 0.183 0.399) 1.456 5.050 ( 4.348 -1.962 0.208) 4.775 5.055 ( 4.266 -2.070 -0.223) 4.746 5.107 ( 1.094 -1.365 0.090) 1.752 5.110 ( 1.176 -1.357 -0.173) 1.804 6.135 ( 2.766 -1.874 0.613) 3.397 6.161 ( 2.737 -1.259 -0.776) 3.111 7.362 ( 0.549 1.614 0.232) 1.720 7.371 ( 0.608 1.911 -0.232) 2.019 7.453 ( -4.646 1.107 0.154) 4.779 7.459 ( -4.525 1.227 -0.121) 4.690 8.914 ( -2.508 1.611 -0.009) 2.981 8.925 ( -2.816 2.129 -0.214) 3.537 8.977 ( -3.350 1.283 0.497) 3.621 8.987 ( -3.125 1.057 -0.351) 3.317 9.146 ( 1.479 -2.720 -0.323) 3.112 9.170 ( 0.545 -0.896 0.128) 1.056 9.376 ( -1.754 2.810 0.055) 3.312 9.390 ( -2.130 3.284 -0.112) 3.916 9.524 ( -4.008 1.136 0.291) 4.176 9.533 ( -3.285 1.081 -0.357) 3.477 10.176 ( 5.275 -2.860 2.894) 6.662 10.229 ( 3.035 -1.586 -2.357) 4.158 10.710 ( 4.250 -3.716 0.254) 5.651 10.721 ( 3.897 -3.909 -0.401) 5.534 10.757 ( 1.571 1.066 0.237) 1.913 10.770 ( 1.883 1.118 -0.319) 2.213 11.306 ( -2.635 0.585 0.856) 2.831 11.334 ( -3.469 0.741 -1.250) 3.761 11.396 ( -1.284 1.468 0.906) 2.150 11.422 ( -0.881 1.128 -1.047) 1.774 ======================= Grid point 36 (25/171) ======================= q-point: ( 0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( -9.232 6.884 11.560) 16.318 0.957 ( -11.293 6.459 2.346) 13.219 1.055 ( -7.394 0.938 -7.670) 10.695 1.099 ( -14.363 3.572 -6.313) 16.091 1.832 ( -31.359 18.700 0.552) 36.515 1.899 ( -28.260 18.042 0.985) 33.543 2.670 ( 3.049 -4.202 0.465) 5.212 2.782 ( 1.455 -2.497 -0.712) 2.976 2.824 ( 1.726 -1.635 -1.365) 2.742 2.917 ( -1.064 1.151 -5.263) 5.492 3.046 ( 0.408 -2.431 3.457) 4.245 3.138 ( 2.694 -0.258 -3.263) 4.239 3.335 ( 2.832 -2.428 3.727) 5.273 3.445 ( 6.331 -3.364 -3.412) 7.940 3.542 ( -1.600 -0.500 3.714) 4.074 3.678 ( 0.478 1.377 -3.226) 3.540 3.723 ( 2.396 -1.675 -0.466) 2.960 3.846 ( 3.640 -1.550 0.072) 3.957 3.935 ( -2.182 2.162 0.266) 3.083 3.939 ( -1.907 2.304 -0.242) 3.000 4.133 ( 16.898 -10.449 -0.241) 19.869 4.145 ( 13.753 -8.914 -0.130) 16.390 4.501 ( 0.620 -1.147 -0.301) 1.338 4.554 ( 2.193 0.182 0.282) 2.218 4.913 ( 7.143 -4.535 0.248) 8.465 4.917 ( 7.045 -4.646 -0.259) 8.443 5.046 ( 4.120 -2.689 -0.035) 4.920 5.049 ( 4.116 -2.421 -0.008) 4.775 6.040 ( 4.772 -2.867 -0.128) 5.568 6.082 ( 4.495 -1.358 0.085) 4.697 7.368 ( 0.513 1.487 0.040) 1.573 7.379 ( 0.482 1.708 -0.043) 1.775 7.588 ( -7.803 3.536 -0.007) 8.567 7.595 ( -7.940 3.544 0.064) 8.695 8.989 ( -3.165 2.162 0.004) 3.833 8.998 ( -1.669 1.188 -0.133) 2.053 9.051 ( -2.448 -1.178 -0.026) 2.717 9.063 ( -2.687 -1.647 0.042) 3.152 9.130 ( -4.531 3.061 -0.125) 5.469 9.173 ( -2.626 1.775 0.153) 3.173 9.452 ( -2.924 3.626 0.068) 4.659 9.470 ( -2.804 3.442 -0.091) 4.441 9.629 ( -5.685 2.242 0.067) 6.111 9.633 ( -5.700 2.360 -0.104) 6.170 10.113 ( 1.855 -0.844 2.272) 3.052 10.154 ( 2.285 -1.109 -2.902) 3.856 10.553 ( 8.166 -4.397 0.509) 9.289 10.562 ( 8.172 -4.425 -0.564) 9.310 10.748 ( 0.586 0.209 0.111) 0.632 10.756 ( 0.712 0.190 -0.126) 0.748 11.376 ( -3.735 0.676 1.094) 3.950 11.405 ( -3.694 0.684 -0.442) 3.782 11.450 ( -2.114 2.048 -0.497) 2.985 11.457 ( -1.736 2.238 -0.363) 2.856 ======================= Grid point 37 (26/171) ======================= q-point: ( 0.60 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( -16.762 7.829 0.675) 18.513 1.210 ( -17.027 9.668 -0.602) 19.590 1.351 ( -15.898 4.166 2.339) 16.601 1.395 ( -14.956 6.193 -2.736) 16.417 2.433 ( -15.187 7.111 -0.527) 16.778 2.488 ( -17.156 8.886 -0.719) 19.334 2.714 ( -7.892 4.467 0.066) 9.069 2.771 ( 0.209 1.361 -0.831) 1.609 2.887 ( -11.310 4.193 4.876) 13.010 2.958 ( -4.337 0.376 -2.638) 5.090 3.004 ( -0.962 -0.295 -0.253) 1.038 3.028 ( 6.327 -2.108 -1.900) 6.935 3.250 ( 6.454 -3.616 2.920) 7.953 3.325 ( 1.321 -1.131 -3.335) 3.761 3.560 ( -0.049 -1.420 2.209) 2.627 3.623 ( 6.414 -5.659 0.381) 8.562 3.630 ( 14.238 -6.540 0.792) 15.689 3.648 ( 12.183 -3.377 -2.168) 12.826 3.793 ( 4.230 -2.791 0.081) 5.068 3.801 ( 10.668 -6.611 -0.560) 12.563 4.019 ( -4.304 2.833 0.088) 5.154 4.029 ( -4.693 3.013 -0.082) 5.578 4.475 ( 1.000 -0.955 -0.071) 1.384 4.513 ( 2.528 0.070 0.070) 2.530 4.723 ( 8.124 -6.105 0.191) 10.164 4.726 ( 8.047 -6.005 -0.193) 10.043 4.888 ( 9.751 -5.186 0.232) 11.047 4.893 ( 9.820 -5.042 -0.239) 11.041 5.934 ( 3.962 -1.881 -0.154) 4.389 5.986 ( 4.684 -0.947 0.155) 4.782 7.376 ( 0.205 1.323 -0.011) 1.339 7.389 ( 0.148 1.326 0.008) 1.334 7.785 ( -9.208 4.882 -0.037) 10.422 7.797 ( -9.665 4.811 0.035) 10.796 8.949 ( 3.275 -3.692 -0.057) 4.936 8.982 ( 3.476 -3.056 0.058) 4.629 9.097 ( -4.068 0.969 -0.097) 4.183 9.126 ( -3.815 1.455 0.063) 4.083 9.312 ( -9.191 5.296 0.006) 10.608 9.319 ( -8.288 4.783 0.024) 9.569 9.541 ( -2.984 3.074 0.129) 4.286 9.550 ( -2.714 2.575 -0.145) 3.744 9.757 ( -5.501 2.571 0.194) 6.075 9.762 ( -5.787 2.734 -0.186) 6.403 10.091 ( 1.166 -0.497 1.657) 2.086 10.105 ( 1.422 -0.661 -2.002) 2.543 10.355 ( 9.122 -4.537 0.282) 10.192 10.359 ( 9.246 -4.390 -0.292) 10.239 10.740 ( 0.443 -0.048 0.019) 0.446 10.746 ( 0.474 -0.199 -0.022) 0.514 11.444 ( -2.797 0.373 0.235) 2.831 11.468 ( -2.534 0.680 0.687) 2.712 11.496 ( -1.686 1.404 -0.476) 2.245 11.522 ( -2.517 2.418 -0.445) 3.518 ======================= Grid point 38 (27/171) ======================= q-point: ( 0.70 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( -20.115 8.295 0.000) 21.758 1.616 ( -13.134 5.918 0.000) 14.406 1.687 ( -10.516 5.544 0.000) 11.888 1.704 ( -19.260 8.785 0.000) 21.168 2.559 ( -2.636 -1.497 0.000) 3.032 2.671 ( -2.182 0.756 0.000) 2.309 2.789 ( -1.369 1.443 0.000) 1.989 2.810 ( -1.365 0.773 0.000) 1.569 2.861 ( 6.250 -2.219 -0.000) 6.632 2.863 ( 4.465 -5.606 -0.000) 7.166 3.088 ( 6.377 -3.767 -0.000) 7.406 3.098 ( 20.919 -12.361 -0.000) 24.298 3.231 ( 12.639 -4.803 -0.000) 13.520 3.253 ( -10.543 5.732 0.000) 12.000 3.321 ( 0.276 -0.311 -0.000) 0.416 3.474 ( -14.885 10.044 0.000) 17.957 3.564 ( -2.293 -0.611 0.000) 2.373 3.570 ( -0.155 -2.328 0.000) 2.334 3.701 ( -0.135 1.248 -0.000) 1.255 3.826 ( -7.355 6.090 0.000) 9.549 4.146 ( -6.602 3.075 0.000) 7.284 4.160 ( -6.042 4.038 0.000) 7.267 4.449 ( 0.654 -1.239 -0.000) 1.401 4.465 ( 2.892 -2.353 -0.000) 3.729 4.518 ( 7.097 -7.321 -0.000) 10.197 4.525 ( 7.598 -5.456 -0.000) 9.354 4.585 ( 17.843 -7.248 -0.000) 19.259 4.606 ( 14.694 -5.985 -0.000) 15.866 5.871 ( 1.579 -0.700 -0.000) 1.727 5.911 ( 2.920 -0.267 -0.000) 2.932 7.385 ( 0.033 0.872 -0.000) 0.872 7.398 ( -0.021 0.684 -0.000) 0.685 7.984 ( -7.146 4.161 0.000) 8.269 8.004 ( -7.721 3.993 0.000) 8.692 8.849 ( 3.377 -3.289 -0.000) 4.714 8.875 ( 4.101 -3.220 -0.000) 5.214 9.168 ( -2.577 0.804 0.000) 2.699 9.195 ( -2.285 1.089 0.000) 2.531 9.521 ( -8.368 4.643 0.000) 9.570 9.530 ( -8.828 4.787 0.000) 10.042 9.610 ( -1.952 1.160 0.000) 2.271 9.612 ( -2.118 1.630 0.000) 2.673 9.865 ( -3.923 1.952 0.000) 4.382 9.877 ( -4.165 2.341 0.000) 4.778 10.059 ( 2.700 -1.498 -0.000) 3.088 10.059 ( 2.938 -1.510 -0.000) 3.304 10.163 ( 6.684 -3.358 -0.000) 7.480 10.163 ( 7.405 -3.228 -0.000) 8.078 10.733 ( 0.265 -0.042 -0.000) 0.269 10.736 ( 0.258 -0.248 -0.000) 0.358 11.483 ( -1.168 0.362 0.000) 1.223 11.509 ( -1.187 0.417 0.000) 1.258 11.530 ( -1.263 0.246 0.000) 1.287 11.581 ( -1.696 1.634 0.000) 2.355 ======================= Grid point 46 (28/171) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.440 ( -0.000 -0.000 11.625) 11.625 0.501 ( -0.000 -0.000 9.529) 9.529 0.675 ( 0.000 0.000 -3.997) 3.997 0.770 ( 0.000 0.000 -10.332) 10.332 0.853 ( -0.000 -0.000 27.720) 27.720 1.245 ( 0.000 0.000 -21.522) 21.522 2.806 ( -0.000 -0.000 1.397) 1.397 2.845 ( 0.000 0.000 -3.563) 3.563 3.013 ( -0.000 -0.000 6.052) 6.052 3.093 ( 0.000 0.000 -3.485) 3.485 3.250 ( -0.000 -0.000 6.740) 6.740 3.311 ( -0.000 -0.000 4.286) 4.286 3.388 ( 0.000 0.000 -4.922) 4.922 3.410 ( 0.000 0.000 -11.958) 11.958 3.662 ( -0.000 -0.000 2.058) 2.058 3.736 ( 0.000 0.000 -7.751) 7.751 3.775 ( -0.000 -0.000 1.052) 1.052 3.788 ( 0.000 0.000 -0.590) 0.590 3.884 ( -0.000 -0.000 0.137) 0.137 3.886 ( 0.000 0.000 -0.117) 0.117 4.496 ( -0.000 -0.000 0.742) 0.742 4.518 ( 0.000 0.000 -1.952) 1.952 4.584 ( -0.000 -0.000 1.575) 1.575 4.602 ( 0.000 0.000 -0.621) 0.621 5.097 ( -0.000 -0.000 0.216) 0.216 5.100 ( 0.000 0.000 -0.224) 0.224 5.125 ( -0.000 -0.000 0.139) 0.139 5.128 ( 0.000 0.000 -0.204) 0.204 6.172 ( -0.000 -0.000 0.988) 0.988 6.189 ( 0.000 0.000 -1.143) 1.143 7.356 ( -0.000 -0.000 0.366) 0.366 7.362 ( 0.000 0.000 -0.373) 0.373 7.409 ( -0.000 -0.000 0.226) 0.226 7.413 ( 0.000 0.000 -0.295) 0.295 8.882 ( -0.000 -0.000 0.129) 0.129 8.886 ( 0.000 0.000 -0.365) 0.365 8.944 ( -0.000 -0.000 0.550) 0.550 8.952 ( 0.000 0.000 -0.451) 0.451 9.175 ( -0.000 -0.000 0.464) 0.464 9.184 ( 0.000 0.000 -0.709) 0.709 9.344 ( -0.000 -0.000 0.191) 0.191 9.348 ( 0.000 0.000 -0.359) 0.359 9.484 ( -0.000 -0.000 0.753) 0.753 9.496 ( 0.000 0.000 -0.709) 0.709 10.271 ( 0.000 0.000 -0.287) 0.287 10.287 ( 0.000 0.000 -2.252) 2.252 10.749 ( -0.000 -0.000 0.327) 0.327 10.755 ( 0.000 0.000 -0.346) 0.346 10.788 ( -0.000 -0.000 0.546) 0.546 10.798 ( 0.000 0.000 -0.633) 0.633 11.281 ( -0.000 -0.000 0.707) 0.707 11.295 ( 0.000 0.000 -1.011) 1.011 11.382 ( -0.000 -0.000 1.260) 1.260 11.403 ( 0.000 0.000 -1.283) 1.283 ======================= Grid point 47 (29/171) ======================= q-point: ( 0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( -14.357 2.426 7.897) 16.564 0.765 ( -3.647 4.157 15.551) 16.505 0.811 ( -10.740 2.436 -4.174) 11.777 0.914 ( -9.144 7.504 -15.398) 19.417 1.144 ( -20.863 12.041 6.074) 24.842 1.281 ( -16.590 14.178 -6.207) 22.689 2.817 ( -0.250 -1.144 1.444) 1.859 2.858 ( -1.523 1.052 -2.190) 2.867 2.901 ( 11.457 -12.754 0.113) 17.145 2.987 ( 8.277 -8.743 -0.874) 12.072 3.079 ( 2.666 0.939 2.557) 3.812 3.149 ( 7.162 6.913 -2.534) 10.271 3.401 ( -3.683 -7.433 3.247) 8.908 3.541 ( 1.827 -2.060 0.869) 2.887 3.577 ( -1.558 1.885 -1.441) 2.838 3.607 ( 4.094 1.737 -4.149) 6.082 3.774 ( -0.521 -3.709 0.236) 3.752 3.872 ( -0.923 0.299 -0.300) 1.015 3.892 ( -0.744 0.657 -0.016) 0.992 3.913 ( 0.454 3.703 -0.278) 3.741 4.409 ( 7.516 -5.377 -0.051) 9.241 4.450 ( 9.525 -2.660 -0.129) 9.890 4.525 ( 0.413 -4.123 -0.059) 4.144 4.584 ( 1.412 0.429 0.129) 1.481 5.052 ( 4.320 -2.000 0.231) 4.766 5.054 ( 4.289 -2.044 -0.237) 4.757 5.108 ( 1.123 -1.366 0.129) 1.772 5.109 ( 1.149 -1.341 -0.161) 1.773 6.139 ( 3.021 -2.155 0.395) 3.732 6.156 ( 2.451 -0.975 -0.459) 2.677 7.363 ( 0.611 1.533 0.132) 1.656 7.370 ( 0.550 2.002 -0.132) 2.080 7.454 ( -4.615 1.027 0.091) 4.729 7.458 ( -4.611 1.334 -0.086) 4.801 8.914 ( -2.507 1.488 0.004) 2.915 8.924 ( -2.867 2.272 -0.089) 3.659 8.980 ( -3.242 1.208 0.472) 3.491 8.984 ( -3.168 1.133 -0.424) 3.391 9.144 ( 1.503 -2.796 -0.113) 3.176 9.171 ( 0.467 -0.781 0.040) 0.911 9.376 ( -1.788 2.704 0.016) 3.242 9.389 ( -2.144 3.385 -0.044) 4.007 9.526 ( -3.717 1.058 0.285) 3.875 9.530 ( -3.540 1.156 -0.310) 3.737 10.195 ( 4.565 -2.465 2.156) 5.619 10.212 ( 3.716 -1.983 -2.136) 4.723 10.712 ( 4.053 -3.651 0.198) 5.459 10.718 ( 4.102 -3.947 -0.255) 5.698 10.759 ( 1.657 1.099 0.128) 1.992 10.768 ( 1.739 1.085 -0.159) 2.056 11.312 ( -2.838 0.498 0.820) 2.995 11.324 ( -3.278 0.937 -0.973) 3.546 11.404 ( -1.130 1.278 1.082) 2.020 11.413 ( -1.007 1.196 -1.127) 1.927 ======================= Grid point 48 (30/171) ======================= q-point: ( 0.60 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( -5.816 5.103 0.000) 7.737 0.918 ( -5.561 5.523 0.000) 7.837 1.047 ( -16.087 5.022 0.000) 16.853 1.057 ( -14.379 1.962 0.000) 14.512 1.835 ( -30.918 18.395 0.000) 35.976 1.903 ( -28.267 18.068 0.000) 33.548 2.672 ( 2.767 -4.659 -0.000) 5.419 2.777 ( 2.844 -2.101 -0.000) 3.536 2.821 ( 0.279 -1.664 0.000) 1.688 2.894 ( -0.874 1.205 0.000) 1.488 3.062 ( 0.175 -3.113 0.000) 3.118 3.122 ( 2.872 0.373 -0.000) 2.896 3.352 ( 1.697 -2.480 -0.000) 3.005 3.428 ( 7.807 -3.592 -0.000) 8.594 3.559 ( -2.000 -0.792 0.000) 2.151 3.663 ( -0.164 2.234 -0.000) 2.240 3.721 ( 2.755 -1.810 -0.000) 3.297 3.846 ( 3.559 -1.477 -0.000) 3.854 3.936 ( -2.901 1.825 0.000) 3.427 3.937 ( -1.181 2.651 -0.000) 2.902 4.132 ( 17.014 -10.489 -0.000) 19.987 4.145 ( 13.730 -8.901 -0.000) 16.363 4.500 ( 0.529 -1.259 0.000) 1.365 4.555 ( 2.250 0.246 -0.000) 2.263 4.915 ( 7.088 -4.676 -0.000) 8.491 4.915 ( 7.096 -4.511 -0.000) 8.409 5.046 ( 4.125 -2.694 -0.000) 4.926 5.048 ( 4.112 -2.408 -0.000) 4.765 6.040 ( 4.826 -2.921 -0.000) 5.641 6.082 ( 4.426 -1.306 -0.000) 4.614 7.368 ( 0.539 1.492 -0.000) 1.587 7.379 ( 0.457 1.704 -0.000) 1.764 7.588 ( -7.786 3.530 0.000) 8.549 7.595 ( -7.945 3.547 0.000) 8.701 8.989 ( -3.279 2.150 0.000) 3.921 8.998 ( -1.542 1.156 0.000) 1.927 9.051 ( -2.483 -1.149 0.000) 2.737 9.063 ( -2.656 -1.647 0.000) 3.126 9.129 ( -4.577 3.099 0.000) 5.528 9.173 ( -2.601 1.768 0.000) 3.145 9.453 ( -2.944 3.634 0.000) 4.677 9.469 ( -2.787 3.426 0.000) 4.416 9.630 ( -5.809 2.253 0.000) 6.231 9.633 ( -5.587 2.357 0.000) 6.064 10.132 ( 2.111 -1.012 0.000) 2.341 10.132 ( 2.111 -1.012 0.000) 2.341 10.557 ( 8.209 -4.531 -0.000) 9.377 10.558 ( 8.122 -4.286 -0.000) 9.184 10.749 ( 0.605 0.204 -0.000) 0.639 10.756 ( 0.688 0.194 -0.000) 0.715 11.382 ( -3.742 0.456 0.000) 3.770 11.402 ( -3.999 1.019 0.000) 4.127 11.448 ( -1.639 1.780 0.000) 2.420 11.455 ( -1.949 2.411 0.000) 3.100 ======================= Grid point 59 (31/171) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.514 ( 0.000 0.000 -6.078) 6.078 0.514 ( -0.000 -0.000 6.078) 6.078 0.692 ( 0.000 0.000 -8.225) 8.225 0.692 ( -0.000 -0.000 8.225) 8.225 1.061 ( 0.000 0.000 -25.493) 25.493 1.061 ( -0.000 -0.000 25.493) 25.493 2.822 ( 0.000 0.000 -2.538) 2.538 2.822 ( -0.000 -0.000 2.538) 2.538 3.057 ( 0.000 0.000 -5.332) 5.332 3.057 ( -0.000 -0.000 5.332) 5.332 3.320 ( 0.000 0.000 -10.763) 10.763 3.320 ( -0.000 -0.000 10.763) 10.763 3.349 ( 0.000 0.000 -5.100) 5.100 3.349 ( -0.000 -0.000 5.100) 5.100 3.688 ( 0.000 0.000 -4.638) 4.638 3.688 ( -0.000 -0.000 4.638) 4.638 3.782 ( 0.000 0.000 -0.858) 0.858 3.782 ( -0.000 -0.000 0.858) 0.858 3.886 ( 0.000 0.000 -0.133) 0.133 3.886 ( -0.000 -0.000 0.133) 0.133 4.504 ( 0.000 0.000 -1.417) 1.417 4.504 ( -0.000 -0.000 1.417) 1.417 4.595 ( 0.000 0.000 -1.161) 1.161 4.595 ( -0.000 -0.000 1.161) 1.161 5.099 ( 0.000 0.000 -0.231) 0.231 5.099 ( -0.000 -0.000 0.231) 0.231 5.127 ( 0.000 0.000 -0.180) 0.180 5.127 ( -0.000 -0.000 0.180) 0.180 6.180 ( 0.000 0.000 -1.121) 1.121 6.180 ( -0.000 -0.000 1.121) 1.121 7.359 ( 0.000 0.000 -0.386) 0.386 7.359 ( -0.000 -0.000 0.386) 0.386 7.411 ( 0.000 0.000 -0.271) 0.271 7.411 ( -0.000 -0.000 0.271) 0.271 8.883 ( 0.000 0.000 -0.262) 0.262 8.883 ( -0.000 -0.000 0.262) 0.262 8.948 ( 0.000 0.000 -0.524) 0.524 8.948 ( -0.000 -0.000 0.524) 0.524 9.179 ( 0.000 0.000 -0.617) 0.617 9.179 ( -0.000 -0.000 0.617) 0.617 9.346 ( 0.000 0.000 -0.281) 0.281 9.346 ( -0.000 -0.000 0.281) 0.281 9.490 ( 0.000 0.000 -0.762) 0.762 9.490 ( -0.000 -0.000 0.762) 0.762 10.274 ( 0.000 0.000 -1.030) 1.030 10.274 ( -0.000 -0.000 1.030) 1.030 10.752 ( 0.000 0.000 -0.348) 0.348 10.752 ( -0.000 -0.000 0.348) 0.348 10.793 ( 0.000 0.000 -0.613) 0.613 10.793 ( -0.000 -0.000 0.613) 0.613 11.287 ( 0.000 0.000 -0.890) 0.890 11.287 ( -0.000 -0.000 0.890) 0.890 11.392 ( 0.000 0.000 -1.335) 1.335 11.392 ( -0.000 -0.000 1.335) 1.335 ======================= Grid point 108 (32/171) ======================= q-point: ( 0.10 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.310 ( -0.000 17.084 -0.000) 17.084 0.469 ( -0.000 22.960 -0.000) 22.960 0.895 ( -0.000 44.051 -0.000) 44.051 0.931 ( -0.000 11.392 -0.000) 11.392 1.254 ( -0.000 25.893 -0.000) 25.893 1.473 ( 0.000 -9.470 0.000) 9.470 2.797 ( 0.000 -6.843 0.000) 6.843 2.815 ( 0.000 -2.449 0.000) 2.449 2.860 ( -0.000 0.537 -0.000) 0.537 2.983 ( 0.000 -0.118 0.000) 0.118 3.075 ( -0.000 1.656 -0.000) 1.656 3.242 ( -0.000 0.620 -0.000) 0.620 3.463 ( 0.000 -1.284 0.000) 1.284 3.501 ( 0.000 -10.226 0.000) 10.226 3.537 ( 0.000 -6.833 0.000) 6.833 3.741 ( 0.000 -1.076 0.000) 1.076 3.807 ( -0.000 1.871 -0.000) 1.871 3.856 ( -0.000 2.578 -0.000) 2.578 3.893 ( -0.000 1.266 -0.000) 1.266 3.903 ( -0.000 1.523 -0.000) 1.523 4.442 ( 0.000 -9.413 0.000) 9.413 4.478 ( 0.000 -10.254 0.000) 10.254 4.489 ( 0.000 -1.278 0.000) 1.278 4.560 ( 0.000 -1.738 0.000) 1.738 5.072 ( 0.000 -4.984 0.000) 4.984 5.080 ( 0.000 -1.411 0.000) 1.411 5.081 ( 0.000 -5.014 0.000) 5.014 5.088 ( 0.000 -1.781 0.000) 1.781 6.120 ( 0.000 -3.596 0.000) 3.596 6.175 ( 0.000 -3.551 0.000) 3.551 7.404 ( 0.000 -0.093 0.000) 0.093 7.410 ( -0.000 5.753 -0.000) 5.753 7.416 ( 0.000 -0.270 0.000) 0.270 7.429 ( -0.000 5.781 -0.000) 5.781 8.926 ( -0.000 4.375 -0.000) 4.375 8.937 ( -0.000 4.239 -0.000) 4.239 8.954 ( -0.000 2.816 -0.000) 2.816 8.977 ( -0.000 1.519 -0.000) 1.519 9.142 ( 0.000 -1.848 0.000) 1.848 9.144 ( 0.000 -3.865 0.000) 3.865 9.413 ( -0.000 6.102 -0.000) 6.102 9.418 ( -0.000 5.291 -0.000) 5.291 9.490 ( -0.000 1.946 -0.000) 1.946 9.526 ( -0.000 1.686 -0.000) 1.686 10.077 ( -0.000 0.234 -0.000) 0.234 10.278 ( 0.000 -2.184 0.000) 2.184 10.692 ( 0.000 -5.895 0.000) 5.895 10.706 ( 0.000 -5.364 0.000) 5.364 10.778 ( 0.000 -0.091 0.000) 0.091 10.808 ( 0.000 -0.234 0.000) 0.234 11.281 ( -0.000 1.268 -0.000) 1.268 11.331 ( -0.000 1.256 -0.000) 1.256 11.398 ( -0.000 3.500 -0.000) 3.500 11.448 ( -0.000 1.960 -0.000) 1.960 ======================= Grid point 109 (33/171) ======================= q-point: ( 0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.562 ( -7.574 18.383 2.013) 19.984 0.742 ( -6.773 19.891 1.391) 21.058 1.114 ( -6.285 11.859 -1.069) 13.465 1.309 ( 5.342 -7.102 -2.744) 9.301 1.571 ( -23.134 35.964 0.762) 42.768 1.689 ( -15.812 26.890 0.700) 31.202 2.693 ( 3.182 -4.086 -0.011) 5.179 2.768 ( 1.004 -3.894 -0.348) 4.037 2.893 ( -1.880 -1.215 -0.110) 2.241 2.969 ( 0.916 -1.374 -1.072) 1.969 3.079 ( 0.336 -0.551 -0.494) 0.813 3.281 ( -2.898 -1.095 -2.727) 4.127 3.324 ( 6.958 -0.383 -3.260) 7.693 3.386 ( 2.746 -5.452 5.759) 8.392 3.510 ( -0.730 -6.014 -0.885) 6.122 3.725 ( 0.487 -1.811 0.127) 1.879 3.791 ( 1.258 -2.720 -0.752) 3.089 3.837 ( 2.571 -0.094 0.305) 2.591 3.940 ( -1.283 2.620 -0.311) 2.934 3.957 ( -1.905 3.137 0.289) 3.682 4.240 ( 9.094 -13.704 -0.087) 16.447 4.253 ( 9.542 -12.931 0.005) 16.070 4.503 ( -1.692 -3.139 -0.393) 3.588 4.540 ( 0.268 -1.691 0.270) 1.734 4.949 ( 5.298 -7.766 0.015) 9.401 4.956 ( 5.260 -7.890 -0.032) 9.482 5.075 ( 0.243 -1.702 -0.012) 1.720 5.077 ( 0.367 -2.183 -0.004) 2.213 6.059 ( 1.878 -5.049 0.053) 5.387 6.109 ( 2.437 -4.932 -0.092) 5.502 7.393 ( 0.793 1.044 0.038) 1.311 7.408 ( 0.507 0.720 -0.044) 0.882 7.525 ( -4.742 6.655 0.054) 8.172 7.536 ( -4.057 7.103 0.022) 8.180 8.993 ( -1.282 5.434 -0.201) 5.587 8.997 ( -1.488 4.687 0.075) 4.918 9.008 ( -1.779 0.198 0.124) 1.794 9.014 ( -1.626 1.509 -0.020) 2.219 9.108 ( -0.939 -0.742 -0.068) 1.199 9.138 ( -1.490 0.397 0.034) 1.542 9.471 ( -0.199 5.501 0.049) 5.504 9.486 ( -0.998 5.661 -0.033) 5.749 9.568 ( -4.787 3.540 -0.001) 5.954 9.577 ( -3.326 2.781 -0.022) 4.335 10.080 ( 0.210 0.159 0.598) 0.653 10.237 ( 1.596 -2.293 -0.729) 2.887 10.591 ( 3.776 -7.334 0.065) 8.249 10.613 ( 3.403 -7.403 -0.077) 8.148 10.764 ( 1.085 0.228 0.057) 1.110 10.787 ( 1.643 0.104 -0.085) 1.648 11.317 ( -2.020 1.921 0.210) 2.795 11.366 ( -2.142 1.204 0.000) 2.457 11.454 ( -1.871 3.872 -0.192) 4.305 11.474 ( -0.514 2.423 -0.169) 2.483 ======================= Grid point 110 (34/171) ======================= q-point: ( 0.30 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( -15.054 18.199 1.031) 23.641 1.096 ( -11.811 15.593 1.680) 19.633 1.214 ( -1.365 2.285 -2.038) 3.352 1.365 ( -8.922 11.686 -1.681) 14.798 2.255 ( -18.936 20.523 -0.174) 27.925 2.342 ( -25.536 27.600 -0.843) 37.610 2.628 ( 0.551 -0.580 0.695) 1.060 2.722 ( -0.131 -2.948 0.394) 2.977 2.884 ( 1.060 -0.912 -2.426) 2.800 2.927 ( 1.343 -2.309 0.231) 2.681 3.055 ( 0.298 -2.154 -0.564) 2.246 3.168 ( 7.031 -3.150 -0.663) 7.732 3.250 ( 0.638 -2.215 -4.041) 4.653 3.397 ( -1.519 -0.989 5.115) 5.426 3.441 ( 1.493 -4.342 -1.819) 4.939 3.671 ( 3.575 -2.833 0.364) 4.576 3.718 ( 3.760 -5.200 -0.589) 6.444 3.783 ( 3.430 -2.052 0.554) 4.035 3.872 ( 11.944 -14.255 -0.630) 18.608 3.908 ( 12.315 -12.373 0.020) 17.457 4.004 ( -2.437 3.032 0.044) 3.891 4.034 ( -0.970 5.299 -0.412) 5.403 4.484 ( -0.269 -3.255 -0.895) 3.386 4.513 ( 0.964 -1.977 0.728) 2.317 4.744 ( 6.658 -11.206 0.036) 13.035 4.752 ( 6.628 -11.229 -0.050) 13.039 5.015 ( 5.317 -1.023 0.014) 5.415 5.023 ( 4.900 -0.431 -0.037) 4.919 5.960 ( 2.478 -6.314 -0.382) 6.793 6.001 ( 3.199 -5.932 0.350) 6.749 7.395 ( 0.396 1.197 0.074) 1.262 7.410 ( 0.314 1.087 -0.076) 1.134 7.706 ( -7.306 7.867 0.040) 10.736 7.710 ( -6.757 8.241 -0.004) 10.657 8.964 ( 2.646 -4.643 -0.391) 5.359 8.978 ( 1.701 -4.549 0.355) 4.869 9.082 ( -2.378 5.178 -0.564) 5.726 9.091 ( -2.484 5.004 0.528) 5.611 9.225 ( -6.835 5.770 0.031) 8.945 9.237 ( -6.156 4.836 -0.013) 7.828 9.538 ( -1.372 4.717 0.134) 4.914 9.559 ( -1.347 4.679 -0.141) 4.871 9.688 ( -5.068 3.633 0.084) 6.236 9.700 ( -5.526 3.891 -0.070) 6.759 10.077 ( 0.504 0.039 0.302) 0.589 10.180 ( 1.951 -1.786 -1.177) 2.895 10.426 ( 6.263 -7.166 0.104) 9.518 10.447 ( 6.375 -7.563 -0.116) 9.892 10.750 ( 0.818 0.149 0.069) 0.835 10.762 ( 1.232 0.022 -0.085) 1.235 11.382 ( -2.669 1.854 0.518) 3.290 11.421 ( -2.526 1.094 0.157) 2.757 11.510 ( -0.721 2.450 -0.262) 2.568 11.527 ( -2.279 2.916 -0.488) 3.733 ======================= Grid point 111 (35/171) ======================= q-point: ( 0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( -14.293 13.194 -1.703) 19.526 1.452 ( -15.800 15.769 0.954) 22.343 1.470 ( -14.991 12.107 1.240) 19.309 1.633 ( -8.620 11.071 -1.319) 14.093 2.587 ( -0.911 0.603 -3.761) 3.917 2.656 ( -7.082 4.726 -2.629) 8.910 2.736 ( -3.565 1.994 3.291) 5.246 2.835 ( 1.322 1.057 -1.610) 2.336 2.861 ( 2.570 -3.341 0.304) 4.226 2.972 ( 3.858 -1.270 -1.104) 4.209 3.012 ( 3.591 -3.519 4.241) 6.577 3.087 ( -17.734 16.161 1.192) 24.023 3.290 ( -6.094 2.412 -3.780) 7.566 3.351 ( 8.391 -8.741 -1.972) 12.276 3.372 ( 9.164 -8.103 -0.662) 12.250 3.416 ( 6.983 -9.051 1.202) 11.495 3.444 ( 4.919 -7.231 2.209) 9.020 3.634 ( 4.253 -0.901 -0.015) 4.347 3.707 ( 0.627 -5.320 -0.427) 5.374 3.792 ( -0.875 1.955 -0.182) 2.150 4.112 ( -4.660 5.659 0.046) 7.331 4.138 ( -3.032 8.047 -0.182) 8.601 4.446 ( 0.298 -3.600 -0.922) 3.728 4.467 ( 2.590 -4.711 0.488) 5.398 4.504 ( 6.247 -12.875 -0.271) 14.313 4.514 ( 5.238 -11.335 0.491) 12.497 4.856 ( 12.855 1.035 0.211) 12.898 4.878 ( 12.231 1.406 -0.212) 12.313 5.858 ( 0.540 -7.387 -0.778) 7.448 5.894 ( 1.462 -7.051 0.728) 7.238 7.400 ( 0.439 1.130 0.100) 1.216 7.415 ( 0.458 1.080 -0.108) 1.178 7.922 ( -7.086 8.296 -0.031) 10.911 7.926 ( -7.802 8.111 0.025) 11.255 8.858 ( 2.875 -5.779 -0.223) 6.458 8.881 ( 2.799 -6.263 0.191) 6.862 9.168 ( -1.542 4.825 -0.465) 5.086 9.182 ( -1.860 4.488 0.414) 4.875 9.421 ( -8.293 5.417 -0.058) 9.905 9.424 ( -8.489 5.749 0.125) 10.253 9.604 ( -1.071 3.534 0.082) 3.694 9.621 ( -0.829 3.532 -0.130) 3.630 9.812 ( -4.691 3.163 0.130) 5.660 9.829 ( -4.759 3.294 -0.163) 5.790 10.063 ( 1.182 -0.353 0.245) 1.257 10.122 ( 2.493 -1.835 -0.997) 3.252 10.240 ( 6.733 -6.226 -0.092) 9.171 10.250 ( 7.355 -6.751 -0.009) 9.984 10.739 ( 0.530 0.016 0.047) 0.532 10.744 ( 0.718 -0.059 -0.049) 0.722 11.444 ( -2.187 1.253 0.752) 2.630 11.472 ( -2.013 0.827 0.082) 2.178 11.543 ( -0.465 2.016 -0.331) 2.095 11.582 ( -1.528 1.702 -0.537) 2.349 ======================= Grid point 112 (36/171) ======================= q-point: ( 0.50 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.753 ( -7.011 9.275 0.065) 11.627 1.802 ( -9.800 10.195 -1.520) 14.223 1.840 ( -6.172 9.567 0.656) 11.404 1.927 ( -13.040 11.845 0.395) 17.621 2.582 ( 0.613 0.096 -3.090) 3.152 2.684 ( 0.529 -0.901 0.172) 1.059 2.742 ( 4.065 -5.672 -0.551) 7.000 2.796 ( -0.958 -0.139 0.625) 1.152 2.819 ( 5.467 -2.385 -0.641) 5.999 2.864 ( 4.507 -3.044 -0.692) 5.483 2.908 ( 0.312 0.578 -1.163) 1.335 2.983 ( 6.916 -4.302 1.342) 8.255 3.039 ( 11.203 -9.531 1.805) 14.819 3.301 ( -1.215 -3.604 -0.151) 3.806 3.345 ( -0.329 1.802 -1.243) 2.213 3.479 ( -6.259 -1.548 1.524) 6.625 3.578 ( -0.381 -1.478 -1.424) 2.087 3.626 ( 0.478 -0.244 -0.260) 0.596 3.765 ( -20.289 6.361 -0.362) 21.266 3.922 ( -9.802 1.344 0.344) 9.900 4.212 ( 6.337 -11.092 0.153) 12.775 4.244 ( 5.846 -9.187 -0.263) 10.893 4.283 ( -3.903 6.811 0.194) 7.852 4.319 ( -3.202 7.067 -0.313) 7.765 4.421 ( -1.149 -2.720 -0.832) 3.067 4.450 ( 0.062 -2.683 0.716) 2.778 4.608 ( 16.915 5.053 0.399) 17.659 4.635 ( 16.955 4.608 -0.386) 17.574 5.796 ( -2.569 -7.815 -0.701) 8.256 5.822 ( -1.647 -7.734 0.607) 7.931 7.400 ( 0.694 0.710 0.142) 1.003 7.413 ( 0.714 0.603 -0.150) 0.946 8.089 ( -2.311 6.112 0.124) 6.536 8.107 ( -3.045 6.116 -0.127) 6.833 8.768 ( 0.064 -4.868 -0.172) 4.871 8.784 ( 0.264 -5.535 0.128) 5.543 9.222 ( 0.372 3.931 -0.292) 3.959 9.241 ( 0.132 3.548 0.281) 3.562 9.609 ( -6.345 3.699 -0.047) 7.345 9.620 ( -6.643 4.306 0.123) 7.918 9.638 ( 0.176 1.576 -0.227) 1.602 9.652 ( 0.580 2.260 0.120) 2.336 9.907 ( -2.948 1.779 -0.226) 3.451 9.923 ( -2.566 1.685 0.070) 3.071 10.008 ( 4.427 -2.462 -0.009) 5.065 10.014 ( 5.437 -4.051 -0.056) 6.780 10.090 ( 2.453 -3.227 0.142) 4.056 10.116 ( 2.012 -2.104 -0.635) 2.980 10.732 ( 0.201 -0.018 -0.000) 0.202 10.735 ( 0.279 0.085 0.003) 0.292 11.485 ( -1.092 0.516 0.767) 1.431 11.504 ( -0.852 0.390 -0.260) 0.972 11.559 ( 0.278 1.004 -0.738) 1.276 11.610 ( -0.341 0.842 0.092) 0.913 ======================= Grid point 113 (37/171) ======================= q-point: (-0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( 12.048 0.471 -1.060) 12.103 1.828 ( 5.766 2.915 0.030) 6.461 1.871 ( 13.702 -1.016 0.044) 13.740 1.957 ( 15.734 -3.294 0.362) 16.079 2.580 ( -1.245 1.109 -2.130) 2.705 2.694 ( -1.536 1.098 1.233) 2.255 2.745 ( -5.459 0.495 -0.687) 5.524 2.792 ( -5.761 1.306 -1.021) 5.995 2.835 ( -3.865 3.545 0.396) 5.260 2.856 ( -2.439 0.433 0.425) 2.513 2.888 ( 0.121 0.419 0.642) 0.776 2.984 ( -8.794 3.792 -0.245) 9.580 3.019 ( -10.396 2.668 -1.402) 10.825 3.303 ( -3.000 -2.765 0.911) 4.180 3.337 ( 2.096 0.423 -1.674) 2.716 3.520 ( 0.764 -2.585 1.239) 2.967 3.564 ( 2.589 -4.713 -0.801) 5.436 3.586 ( -2.076 -1.368 -1.004) 2.681 3.786 ( 13.662 -12.737 -0.227) 18.680 3.901 ( 7.604 -8.512 0.816) 11.443 4.220 ( -13.976 1.109 0.383) 14.025 4.270 ( -8.363 0.922 -0.492) 8.428 4.295 ( 5.404 -0.292 -0.357) 5.424 4.320 ( 6.862 -0.125 0.010) 6.863 4.401 ( -1.621 -2.765 -0.884) 3.325 4.445 ( -1.406 -2.028 0.761) 2.582 4.599 ( -3.525 17.428 -0.481) 17.787 4.623 ( -3.992 17.693 0.483) 18.144 5.786 ( -5.007 -6.954 -0.339) 8.576 5.805 ( -4.752 -6.998 0.223) 8.462 7.391 ( 0.887 0.086 0.186) 0.910 7.401 ( 0.866 -0.100 -0.185) 0.891 8.090 ( 6.287 1.060 0.308) 6.383 8.110 ( 6.380 0.698 -0.291) 6.425 8.786 ( -5.178 -0.825 -0.171) 5.246 8.799 ( -5.646 -1.198 0.120) 5.773 9.228 ( 2.726 2.824 -0.101) 3.926 9.247 ( 2.638 2.345 0.156) 3.533 9.605 ( 4.605 -1.959 -0.031) 5.004 9.614 ( 4.887 -1.974 -0.168) 5.273 9.659 ( 3.131 0.671 0.002) 3.202 9.661 ( 4.278 -0.373 0.052) 4.295 9.905 ( 1.517 -1.443 0.119) 2.097 9.914 ( 2.179 -1.836 -0.199) 2.856 9.997 ( -4.419 2.028 -0.219) 4.867 10.012 ( -4.834 2.327 -0.177) 5.368 10.083 ( -3.045 -0.359 0.178) 3.071 10.101 ( -2.095 -0.459 -0.094) 2.147 10.732 ( -0.108 0.134 0.034) 0.175 10.735 ( -0.062 0.185 -0.029) 0.197 11.498 ( 0.223 0.001 0.517) 0.563 11.506 ( 0.643 0.016 -0.617) 0.891 11.545 ( 1.213 -0.314 -1.141) 1.694 11.612 ( 1.021 0.261 0.957) 1.424 ======================= Grid point 114 (38/171) ======================= q-point: (-0.30 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( 19.137 -4.220 -1.084) 19.627 1.496 ( 25.452 -6.431 0.321) 26.254 1.593 ( 17.503 -1.073 -0.890) 17.558 1.666 ( 12.986 -0.041 1.348) 13.056 2.589 ( 0.609 0.333 0.131) 0.706 2.682 ( 10.812 -2.714 2.412) 11.406 2.783 ( 1.404 0.278 -0.232) 1.449 2.788 ( -0.670 -0.218 1.808) 1.941 2.876 ( -5.109 2.305 -2.832) 6.280 2.960 ( -6.172 0.615 -1.383) 6.355 3.070 ( 8.284 0.633 -1.875) 8.517 3.086 ( 13.122 -4.321 -1.902) 13.946 3.247 ( -1.125 0.315 2.960) 3.182 3.334 ( -13.873 3.303 0.607) 14.274 3.356 ( -4.958 -0.381 3.139) 5.880 3.423 ( -15.172 1.655 0.467) 15.269 3.461 ( -2.558 -1.992 -4.943) 5.911 3.617 ( -2.650 2.926 -1.857) 4.363 3.680 ( -6.100 -3.362 1.247) 7.076 3.785 ( 0.301 0.787 1.385) 1.621 4.116 ( 7.946 -1.337 -0.094) 8.058 4.126 ( 8.458 0.846 0.152) 8.502 4.420 ( -3.274 -1.976 -0.806) 3.908 4.464 ( -2.714 -1.597 0.469) 3.184 4.522 ( -14.684 -0.881 -0.198) 14.712 4.537 ( -14.683 -0.382 0.151) 14.688 4.851 ( -5.496 12.997 -0.312) 14.114 4.873 ( -4.993 12.288 0.336) 13.268 5.836 ( -7.118 -3.933 0.215) 8.135 5.854 ( -7.222 -4.267 -0.325) 8.395 7.374 ( 0.800 -0.424 0.186) 0.924 7.381 ( 0.757 -0.689 -0.177) 1.039 7.930 ( 10.401 -1.650 0.285) 10.535 7.940 ( 10.602 -2.029 -0.251) 10.797 8.896 ( -6.013 1.492 -0.107) 6.196 8.916 ( -6.352 0.991 0.033) 6.429 9.186 ( 4.567 1.963 0.137) 4.973 9.199 ( 4.654 1.282 -0.012) 4.828 9.429 ( 9.434 -4.267 -0.082) 10.354 9.435 ( 9.852 -4.131 -0.027) 10.684 9.582 ( 4.106 -0.760 -0.272) 4.184 9.600 ( 3.966 -0.401 0.241) 3.994 9.828 ( 5.051 -1.426 -0.166) 5.251 9.837 ( 4.702 -1.539 0.037) 4.947 10.053 ( -1.249 0.338 -0.671) 1.457 10.111 ( -2.664 0.851 1.047) 2.986 10.211 ( -9.612 1.714 -0.176) 9.765 10.223 ( -9.990 2.042 0.162) 10.198 10.737 ( -0.146 0.230 0.025) 0.273 10.741 ( -0.388 0.182 -0.016) 0.429 11.474 ( 2.493 0.057 -1.223) 2.777 11.485 ( 1.424 -0.293 0.300) 1.484 11.508 ( 1.419 -1.242 -0.617) 1.984 11.585 ( 2.605 -0.336 1.268) 2.916 ======================= Grid point 115 (39/171) ======================= q-point: (-0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( 26.030 -4.927 -1.896) 26.560 1.129 ( 14.243 -1.685 -0.450) 14.350 1.296 ( 11.963 0.325 1.098) 12.018 1.426 ( 14.267 -0.099 2.187) 14.434 2.255 ( 28.539 -6.183 -0.485) 29.205 2.331 ( 36.389 -8.182 0.813) 37.307 2.632 ( -0.661 0.106 -1.771) 1.894 2.814 ( -0.001 2.152 0.305) 2.174 2.855 ( -3.065 -0.282 4.484) 5.439 2.973 ( -3.055 2.554 -2.889) 4.920 3.020 ( -1.976 -2.067 0.344) 2.880 3.168 ( -2.793 2.823 2.002) 4.447 3.230 ( -2.102 -0.239 3.535) 4.120 3.419 ( -0.873 -0.079 -7.158) 7.211 3.459 ( -4.854 0.234 2.993) 5.707 3.667 ( -10.347 0.177 1.060) 10.403 3.675 ( -4.234 1.785 -0.285) 4.604 3.720 ( -7.010 -1.097 -0.450) 7.110 3.889 ( -17.599 2.697 -0.083) 17.805 3.949 ( -14.668 5.038 0.989) 15.540 3.991 ( 4.900 -1.044 -0.032) 5.010 4.019 ( 4.460 1.485 0.489) 4.726 4.461 ( -3.172 -0.970 -0.521) 3.358 4.503 ( -2.813 -0.709 0.249) 2.912 4.755 ( -12.247 0.118 -0.207) 12.249 4.774 ( -12.051 0.298 0.188) 12.056 5.019 ( -3.485 4.915 -0.042) 6.026 5.027 ( -2.889 4.548 0.108) 5.389 5.952 ( -7.471 -0.270 0.312) 7.483 5.963 ( -8.121 -1.191 -0.371) 8.217 7.358 ( 0.517 -0.470 0.075) 0.703 7.363 ( 0.253 -0.841 -0.059) 0.880 7.726 ( 10.362 -1.455 0.069) 10.463 7.730 ( 10.411 -1.534 -0.083) 10.523 8.999 ( -2.941 1.017 0.109) 3.114 9.004 ( -1.976 0.245 -0.208) 2.002 9.119 ( 4.516 1.259 0.090) 4.689 9.133 ( 3.104 2.227 0.145) 3.823 9.224 ( 9.217 -3.114 0.120) 9.730 9.229 ( 8.185 -3.468 -0.179) 8.891 9.494 ( 4.486 -1.118 -0.226) 4.629 9.516 ( 4.536 -1.027 0.186) 4.655 9.714 ( 6.070 -1.044 -0.152) 6.161 9.727 ( 6.128 -1.080 0.109) 6.223 10.068 ( -0.668 0.014 -0.635) 0.922 10.166 ( -2.637 0.405 1.518) 3.069 10.408 ( -10.323 1.520 -0.213) 10.436 10.429 ( -10.673 1.600 0.214) 10.794 10.741 ( -0.130 0.081 -0.070) 0.168 10.750 ( -0.425 0.109 0.083) 0.446 11.413 ( 3.622 -0.192 -1.105) 3.791 11.449 ( 2.289 -0.172 -0.161) 2.301 11.472 ( 1.263 -0.900 0.111) 1.555 11.524 ( 4.160 -0.672 1.123) 4.361 ======================= Grid point 116 (40/171) ======================= q-point: (-0.10 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.501 ( 21.590 0.000 -4.873) 22.133 0.797 ( 20.683 0.000 -2.638) 20.850 1.196 ( 12.521 -0.000 2.398) 12.749 1.292 ( -6.471 -0.000 5.566) 8.536 1.568 ( 42.523 0.000 -1.682) 42.556 1.656 ( 32.777 0.000 -1.213) 32.800 2.680 ( -4.324 0.000 -1.054) 4.450 2.830 ( -0.375 0.000 -0.186) 0.419 2.943 ( -4.165 -0.000 3.842) 5.666 3.019 ( -0.862 -0.000 1.591) 1.809 3.020 ( 0.325 0.000 -0.790) 0.854 3.206 ( 0.567 -0.000 1.567) 1.666 3.308 ( -2.197 -0.000 2.644) 3.437 3.418 ( -4.854 0.000 -6.076) 7.776 3.549 ( -3.688 -0.000 1.897) 4.147 3.744 ( -2.193 -0.000 1.815) 2.846 3.774 ( -2.496 -0.000 -0.329) 2.517 3.832 ( -7.436 -0.000 0.265) 7.441 3.919 ( 2.658 0.000 -0.003) 2.658 3.940 ( 3.020 0.000 0.539) 3.068 4.248 ( -13.705 -0.000 0.187) 13.707 4.255 ( -16.930 -0.000 0.241) 16.931 4.502 ( -2.185 -0.000 -0.387) 2.219 4.546 ( -2.135 -0.000 0.123) 2.138 4.942 ( -8.603 -0.000 -0.112) 8.604 4.959 ( -8.329 -0.000 0.102) 8.329 5.086 ( -1.874 -0.000 0.020) 1.874 5.089 ( -2.225 -0.000 0.049) 2.225 6.066 ( -5.239 -0.000 -0.168) 5.241 6.093 ( -6.504 -0.000 0.182) 6.506 7.349 ( 0.152 0.000 -0.055) 0.162 7.359 ( -0.285 -0.000 0.069) 0.293 7.555 ( 7.957 0.000 -0.051) 7.957 7.559 ( 7.786 0.000 -0.044) 7.786 8.966 ( 3.783 0.000 -0.092) 3.784 8.986 ( 4.079 0.000 0.168) 4.083 9.058 ( 7.228 0.000 -0.050) 7.229 9.070 ( 6.262 0.000 0.169) 6.265 9.124 ( -2.601 -0.000 -0.235) 2.612 9.155 ( -1.209 -0.000 0.227) 1.231 9.411 ( 3.875 0.000 -0.200) 3.880 9.433 ( 3.984 0.000 0.125) 3.986 9.606 ( 5.216 0.000 -0.006) 5.216 9.611 ( 6.162 0.000 0.064) 6.162 10.075 ( -0.628 0.000 -1.165) 1.323 10.225 ( -3.076 -0.000 1.345) 3.357 10.591 ( -9.313 -0.000 -0.153) 9.315 10.619 ( -9.393 -0.000 0.211) 9.395 10.743 ( -0.063 0.000 -0.090) 0.110 10.757 ( -0.267 -0.000 0.098) 0.284 11.344 ( 3.507 0.000 -0.534) 3.548 11.406 ( 2.200 0.000 -0.292) 2.219 11.439 ( 4.855 -0.000 0.913) 4.940 11.448 ( 1.382 0.000 0.173) 1.393 ======================= Grid point 117 (41/171) ======================= q-point: ( 0.00 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.482 ( 22.902 0.000 -0.000) 22.902 0.786 ( 21.133 0.000 -0.000) 21.133 1.206 ( 12.264 0.000 -0.000) 12.264 1.315 ( -7.841 -0.000 0.000) 7.841 1.561 ( 42.995 0.000 -0.000) 42.995 1.651 ( 33.512 0.000 -0.000) 33.512 2.676 ( -3.890 -0.000 0.000) 3.890 2.829 ( -0.189 -0.000 0.000) 0.189 2.960 ( -4.167 -0.000 0.000) 4.167 3.017 ( 0.202 0.000 -0.000) 0.202 3.023 ( -0.859 -0.000 0.000) 0.859 3.213 ( 0.298 0.000 -0.000) 0.298 3.327 ( 1.558 0.000 -0.000) 1.558 3.386 ( -8.569 -0.000 0.000) 8.569 3.557 ( -3.437 -0.000 0.000) 3.437 3.751 ( -2.507 -0.000 0.000) 2.507 3.773 ( -2.427 -0.000 0.000) 2.427 3.833 ( -7.526 -0.000 0.000) 7.526 3.919 ( 2.642 0.000 -0.000) 2.642 3.942 ( 2.913 0.000 -0.000) 2.913 4.248 ( -13.624 -0.000 0.000) 13.624 4.256 ( -16.998 -0.000 0.000) 16.998 4.500 ( -2.176 -0.000 0.000) 2.176 4.546 ( -2.108 -0.000 0.000) 2.108 4.942 ( -8.611 -0.000 0.000) 8.611 4.959 ( -8.321 -0.000 0.000) 8.321 5.087 ( -1.866 -0.000 0.000) 1.866 5.089 ( -2.235 -0.000 0.000) 2.235 6.065 ( -5.216 -0.000 0.000) 5.216 6.094 ( -6.541 -0.000 0.000) 6.541 7.349 ( 0.164 0.000 -0.000) 0.164 7.359 ( -0.296 -0.000 0.000) 0.296 7.555 ( 7.963 0.000 -0.000) 7.963 7.559 ( 7.800 0.000 -0.000) 7.800 8.966 ( 3.761 0.000 -0.000) 3.761 8.987 ( 4.075 0.000 -0.000) 4.075 9.057 ( 7.289 0.000 -0.000) 7.289 9.071 ( 6.315 0.000 -0.000) 6.315 9.123 ( -2.715 -0.000 0.000) 2.715 9.156 ( -1.206 -0.000 0.000) 1.206 9.410 ( 3.883 0.000 -0.000) 3.883 9.433 ( 3.984 0.000 -0.000) 3.984 9.606 ( 5.185 0.000 -0.000) 5.185 9.611 ( 6.178 0.000 -0.000) 6.178 10.071 ( -0.268 -0.000 0.000) 0.268 10.230 ( -3.095 -0.000 0.000) 3.095 10.590 ( -9.316 -0.000 0.000) 9.316 10.620 ( -9.404 -0.000 0.000) 9.404 10.742 ( -0.057 -0.000 0.000) 0.057 10.757 ( -0.271 -0.000 0.000) 0.271 11.342 ( 3.444 0.000 -0.000) 3.444 11.405 ( 2.227 0.000 -0.000) 2.227 11.443 ( 5.098 0.000 -0.000) 5.098 11.448 ( 1.102 0.000 -0.000) 1.102 ======================= Grid point 119 (42/171) ======================= q-point: ( 0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.343 ( -0.000 15.109 8.279) 17.229 0.484 ( -0.000 22.266 3.750) 22.580 0.899 ( -0.000 30.783 -0.387) 30.785 0.938 ( -0.000 23.690 2.919) 23.869 1.235 ( -0.000 23.950 -4.843) 24.434 1.466 ( 0.000 -6.972 -1.859) 7.216 2.809 ( 0.000 -1.886 -1.157) 2.213 2.817 ( -0.000 -10.075 4.313) 10.960 2.869 ( -0.000 -0.513 1.837) 1.907 2.969 ( 0.000 -0.376 -3.063) 3.086 3.085 ( -0.000 1.258 2.424) 2.731 3.227 ( 0.000 -0.140 -3.439) 3.442 3.458 ( 0.000 -1.530 -1.209) 1.950 3.508 ( 0.000 -8.978 1.675) 9.133 3.533 ( 0.000 -7.843 -0.934) 7.899 3.717 ( 0.000 1.484 -4.941) 5.159 3.828 ( -0.000 -0.488 3.861) 3.892 3.856 ( -0.000 2.464 -0.143) 2.468 3.894 ( -0.000 1.341 0.209) 1.357 3.905 ( -0.000 1.462 0.492) 1.543 4.441 ( 0.000 -8.947 -0.426) 8.957 4.476 ( 0.000 -10.030 -0.675) 10.053 4.493 ( -0.000 -1.786 0.936) 2.016 4.560 ( 0.000 -1.967 -0.135) 1.972 5.072 ( 0.000 -4.982 0.027) 4.982 5.080 ( 0.000 -2.062 0.010) 2.062 5.080 ( 0.000 -4.371 -0.043) 4.372 5.088 ( 0.000 -1.775 -0.057) 1.776 6.121 ( 0.000 -3.577 0.261) 3.587 6.174 ( 0.000 -3.544 -0.405) 3.567 7.404 ( -0.000 -0.081 0.032) 0.087 7.410 ( -0.000 5.628 0.126) 5.629 7.416 ( 0.000 -0.128 -0.069) 0.146 7.429 ( -0.000 5.749 0.083) 5.750 8.926 ( -0.000 4.364 -0.072) 4.365 8.937 ( -0.000 4.232 -0.202) 4.237 8.955 ( -0.000 2.721 0.399) 2.750 8.977 ( -0.000 1.564 -0.020) 1.564 9.141 ( 0.000 -1.894 -0.077) 1.896 9.144 ( 0.000 -3.830 -0.073) 3.831 9.414 ( -0.000 6.057 0.034) 6.057 9.418 ( -0.000 5.326 -0.080) 5.326 9.491 ( -0.000 1.933 0.249) 1.949 9.525 ( -0.000 1.690 -0.220) 1.704 10.096 ( -0.000 -1.760 4.256) 4.606 10.273 ( 0.000 -2.254 -1.273) 2.589 10.692 ( 0.000 -5.845 0.051) 5.845 10.706 ( 0.000 -5.364 -0.127) 5.365 10.778 ( -0.000 -0.096 0.153) 0.180 10.807 ( 0.000 -0.229 -0.239) 0.331 11.282 ( -0.000 1.303 0.282) 1.333 11.329 ( 0.000 1.379 -0.388) 1.433 11.398 ( -0.000 3.392 0.005) 3.392 11.446 ( -0.000 1.968 -0.406) 2.010 ======================= Grid point 120 (43/171) ======================= q-point: ( 0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( -6.890 16.684 6.150) 19.070 0.763 ( -6.689 19.223 3.945) 20.732 1.098 ( -6.236 12.127 -3.123) 13.989 1.268 ( 4.332 -5.350 -7.592) 10.249 1.583 ( -22.394 35.435 2.170) 41.975 1.698 ( -15.495 25.943 1.450) 30.253 2.692 ( 3.478 -4.916 -0.115) 6.023 2.764 ( 0.848 -3.831 -0.706) 3.986 2.888 ( -1.001 -1.453 -1.541) 2.343 2.956 ( -0.359 -1.404 -1.882) 2.375 3.070 ( 1.755 -0.353 -2.069) 2.736 3.250 ( -2.722 -1.399 -4.026) 5.057 3.306 ( 6.468 -2.453 -1.521) 7.083 3.435 ( 1.603 -3.342 6.087) 7.126 3.497 ( -0.562 -6.051 -2.134) 6.441 3.725 ( -0.507 -1.162 -0.672) 1.435 3.782 ( 3.117 -1.546 -1.175) 3.673 3.840 ( 1.792 -1.014 0.509) 2.121 3.936 ( -1.530 2.890 -0.533) 3.314 3.960 ( -1.479 2.631 0.442) 3.051 4.239 ( 8.929 -13.290 -0.244) 16.013 4.254 ( 9.763 -13.424 0.032) 16.599 4.497 ( -1.233 -2.708 -0.869) 3.100 4.544 ( -0.205 -2.093 0.556) 2.176 4.949 ( 5.295 -7.771 0.045) 9.404 4.956 ( 5.262 -7.881 -0.089) 9.477 5.074 ( 0.263 -1.758 -0.029) 1.778 5.077 ( 0.345 -2.131 -0.013) 2.158 6.060 ( 2.035 -5.065 0.156) 5.461 6.107 ( 2.269 -4.887 -0.256) 5.394 7.393 ( 0.784 1.037 0.108) 1.305 7.407 ( 0.502 0.721 -0.124) 0.887 7.526 ( -4.698 6.686 0.155) 8.173 7.536 ( -4.064 7.052 0.029) 8.140 8.991 ( -1.399 5.445 -0.358) 5.633 8.998 ( -1.244 4.006 0.070) 4.196 9.010 ( -1.871 0.939 0.280) 2.112 9.013 ( -1.601 1.393 -0.053) 2.123 9.107 ( -0.931 -0.459 -0.170) 1.052 9.139 ( -1.571 0.159 0.080) 1.581 9.471 ( -0.214 5.570 0.139) 5.575 9.485 ( -0.957 5.635 -0.096) 5.716 9.568 ( -4.672 3.461 -0.003) 5.814 9.577 ( -3.450 2.872 -0.059) 4.489 10.089 ( 0.555 -0.449 1.571) 1.725 10.226 ( 1.585 -2.291 -1.991) 3.424 10.592 ( 3.764 -7.339 0.186) 8.250 10.612 ( 3.419 -7.386 -0.224) 8.142 10.765 ( 1.107 0.229 0.168) 1.143 10.786 ( 1.601 0.107 -0.241) 1.623 11.320 ( -2.050 1.975 0.587) 2.906 11.366 ( -2.223 1.324 -0.060) 2.588 11.452 ( -1.767 3.790 -0.440) 4.205 11.472 ( -0.558 2.443 -0.480) 2.552 ======================= Grid point 121 (44/171) ======================= q-point: ( 0.40 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( -14.103 17.150 2.261) 22.319 1.115 ( -11.499 15.052 3.143) 19.201 1.191 ( -2.400 3.580 -3.794) 5.743 1.346 ( -9.122 12.065 -3.150) 15.450 2.253 ( -18.715 20.103 -0.215) 27.466 2.332 ( -23.336 24.931 -1.730) 34.192 2.636 ( -1.299 1.543 1.167) 2.330 2.728 ( -0.749 -2.129 1.248) 2.579 2.858 ( 1.428 -0.190 -3.916) 4.172 2.932 ( 0.848 -2.990 0.923) 3.242 3.041 ( -0.800 -0.643 -3.182) 3.343 3.159 ( 6.484 -2.472 -1.727) 7.151 3.228 ( 1.009 -2.993 -0.957) 3.300 3.413 ( -0.019 -6.301 -3.065) 7.007 3.447 ( 0.627 -0.206 5.065) 5.107 3.674 ( 4.469 -2.776 0.122) 5.262 3.713 ( 2.317 -3.880 -0.572) 4.555 3.788 ( 3.437 -2.378 0.712) 4.239 3.865 ( 12.779 -14.641 -1.023) 19.460 3.908 ( 12.244 -12.577 -0.027) 17.553 4.004 ( -2.414 3.242 0.118) 4.044 4.029 ( -1.191 5.221 -0.699) 5.401 4.476 ( -0.109 -2.959 -1.039) 3.138 4.519 ( 0.772 -2.309 0.772) 2.554 4.745 ( 6.656 -11.204 0.070) 13.032 4.751 ( 6.618 -11.220 -0.094) 13.027 5.015 ( 5.279 -0.959 0.025) 5.365 5.022 ( 4.928 -0.495 -0.061) 4.953 5.956 ( 2.714 -6.319 -0.524) 6.897 6.005 ( 2.959 -5.917 0.472) 6.632 7.396 ( 0.410 1.213 0.134) 1.287 7.410 ( 0.301 1.071 -0.138) 1.121 7.707 ( -7.238 7.905 0.074) 10.718 7.710 ( -6.792 8.183 -0.016) 10.635 8.961 ( 2.558 -4.593 -0.444) 5.276 8.981 ( 1.777 -4.576 0.385) 4.924 9.078 ( -2.317 5.262 -0.496) 5.771 9.095 ( -2.526 4.919 0.439) 5.548 9.225 ( -6.845 5.821 0.051) 8.986 9.237 ( -6.180 4.771 -0.023) 7.808 9.540 ( -1.357 4.716 0.254) 4.914 9.557 ( -1.333 4.694 -0.267) 4.887 9.689 ( -5.129 3.673 0.154) 6.311 9.700 ( -5.461 3.880 -0.132) 6.701 10.080 ( 0.615 -0.129 0.657) 0.909 10.167 ( 1.799 -1.633 -2.058) 3.184 10.427 ( 6.277 -7.216 0.200) 9.567 10.446 ( 6.361 -7.501 -0.229) 9.838 10.751 ( 0.845 0.150 0.132) 0.868 10.761 ( 1.192 0.022 -0.157) 1.202 11.387 ( -2.707 1.845 0.884) 3.393 11.423 ( -2.520 1.151 0.287) 2.786 11.507 ( -0.848 2.394 -0.581) 2.605 11.522 ( -2.165 2.986 -0.720) 3.757 ======================= Grid point 122 (45/171) ======================= q-point: ( 0.50 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( -15.098 13.196 -1.661) 20.121 1.460 ( -15.042 15.644 1.204) 21.736 1.480 ( -14.768 11.843 1.314) 18.976 1.621 ( -9.065 11.544 -1.856) 14.795 2.554 ( -2.180 1.039 -4.468) 5.079 2.639 ( -6.671 4.648 -1.938) 8.358 2.759 ( -2.094 1.206 2.714) 3.634 2.823 ( 0.682 1.664 -1.434) 2.300 2.864 ( 2.959 -3.971 0.574) 4.985 2.961 ( 3.659 -1.271 -1.610) 4.195 3.049 ( 2.555 -3.339 4.981) 6.518 3.099 ( -17.074 15.669 1.906) 23.253 3.260 ( -7.419 4.653 -3.763) 9.531 3.326 ( 5.653 -7.021 -4.002) 9.862 3.368 ( 12.733 -10.897 -0.506) 16.767 3.428 ( 9.385 -10.684 1.642) 14.315 3.462 ( 2.201 -6.145 2.177) 6.881 3.633 ( 4.830 -0.967 -0.111) 4.928 3.703 ( 0.586 -4.618 -0.500) 4.682 3.790 ( -1.105 1.642 -0.286) 2.000 4.112 ( -4.419 6.011 0.067) 7.462 4.136 ( -3.379 7.737 -0.233) 8.446 4.439 ( 0.184 -3.455 -0.844) 3.562 4.470 ( 2.907 -5.309 0.324) 6.062 4.503 ( 6.551 -13.260 -0.187) 14.791 4.518 ( 4.696 -10.560 0.443) 11.565 4.859 ( 12.760 1.067 0.323) 12.808 4.876 ( 12.311 1.371 -0.324) 12.392 5.852 ( 0.584 -7.326 -0.729) 7.385 5.899 ( 1.420 -7.134 0.667) 7.305 7.401 ( 0.459 1.170 0.144) 1.265 7.414 ( 0.439 1.040 -0.154) 1.139 7.921 ( -7.098 8.352 -0.034) 10.960 7.926 ( -7.782 8.058 0.026) 11.202 8.856 ( 2.819 -5.757 -0.242) 6.415 8.882 ( 2.854 -6.289 0.202) 6.909 9.164 ( -1.597 4.824 -0.405) 5.097 9.185 ( -1.814 4.496 0.342) 4.860 9.421 ( -8.293 5.364 -0.034) 9.877 9.425 ( -8.501 5.791 0.117) 10.286 9.605 ( -1.043 3.387 0.116) 3.546 9.619 ( -0.844 3.675 -0.176) 3.775 9.813 ( -4.624 3.134 0.184) 5.589 9.828 ( -4.789 3.286 -0.226) 5.812 10.065 ( 1.197 -0.440 0.493) 1.367 10.112 ( 2.196 -1.580 -1.423) 3.057 10.239 ( 6.870 -6.447 -0.068) 9.421 10.249 ( 7.308 -6.618 -0.050) 9.860 10.739 ( 0.543 -0.017 0.072) 0.548 10.743 ( 0.700 -0.024 -0.075) 0.705 11.451 ( -2.201 1.179 0.884) 2.649 11.474 ( -1.856 0.865 0.353) 2.077 11.539 ( -0.566 1.772 -0.691) 1.985 11.578 ( -1.574 1.956 -0.591) 2.579 ======================= Grid point 123 (46/171) ======================= q-point: ( 0.60 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( -6.683 8.838 0.084) 11.081 1.791 ( -10.435 10.197 -1.255) 14.644 1.844 ( -5.861 9.551 0.413) 11.213 1.930 ( -13.215 12.231 0.358) 18.010 2.558 ( 0.018 -0.532 -2.975) 3.022 2.684 ( 0.444 -0.095 -0.194) 0.494 2.742 ( 3.668 -5.551 0.419) 6.667 2.798 ( -0.161 -1.542 -0.247) 1.570 2.815 ( 3.984 -1.956 -0.112) 4.440 2.857 ( 4.671 -2.316 -0.987) 5.306 2.898 ( 3.173 -1.129 -1.141) 3.556 2.995 ( 5.686 -3.986 1.505) 7.105 3.053 ( 11.048 -9.236 1.675) 14.497 3.297 ( -1.466 -3.702 -0.891) 4.080 3.337 ( -0.328 2.070 -0.589) 2.177 3.493 ( -6.011 -1.714 1.923) 6.539 3.565 ( -1.181 -1.670 -1.902) 2.793 3.624 ( 0.489 -0.357 -0.255) 0.657 3.762 ( -19.130 6.672 -0.323) 20.262 3.924 ( -10.593 1.496 0.311) 10.702 4.214 ( 6.508 -11.291 0.167) 13.033 4.242 ( 5.685 -9.068 -0.270) 10.706 4.285 ( -3.709 6.697 0.238) 7.659 4.316 ( -3.279 6.844 -0.365) 7.598 4.415 ( -1.312 -2.536 -0.620) 2.922 4.455 ( 0.183 -2.685 0.504) 2.738 4.612 ( 16.951 5.035 0.543) 17.691 4.632 ( 16.887 4.589 -0.528) 17.507 5.791 ( -2.621 -7.789 -0.532) 8.235 5.827 ( -1.603 -7.797 0.438) 7.973 7.402 ( 0.707 0.758 0.181) 1.052 7.412 ( 0.698 0.557 -0.189) 0.913 8.090 ( -2.351 6.218 0.143) 6.649 8.106 ( -3.010 6.014 -0.146) 6.727 8.767 ( 0.047 -4.897 -0.153) 4.899 8.785 ( 0.277 -5.515 0.109) 5.523 9.220 ( 0.294 3.914 -0.240) 3.932 9.243 ( 0.192 3.582 0.229) 3.594 9.608 ( -6.377 3.710 -0.035) 7.378 9.621 ( -6.655 4.292 0.112) 7.919 9.637 ( 0.233 1.403 -0.205) 1.436 9.653 ( 0.575 2.387 0.096) 2.457 9.905 ( -2.728 1.622 -0.217) 3.181 9.923 ( -2.825 1.830 0.061) 3.367 10.008 ( 4.738 -2.932 0.006) 5.572 10.013 ( 5.165 -3.677 -0.070) 6.340 10.092 ( 2.313 -3.077 0.279) 3.860 10.111 ( 1.981 -2.234 -0.772) 3.084 10.732 ( 0.176 -0.079 -0.000) 0.193 10.735 ( 0.304 0.147 0.003) 0.338 11.491 ( -1.050 0.450 0.493) 1.244 11.504 ( -0.613 0.413 0.349) 0.817 11.552 ( 0.191 0.614 -1.122) 1.293 11.611 ( -0.520 1.188 0.141) 1.304 ======================= Grid point 124 (47/171) ======================= q-point: (-0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( 12.792 -0.200 -0.834) 12.821 1.829 ( 5.345 3.098 0.025) 6.178 1.871 ( 12.942 -0.769 0.058) 12.965 1.960 ( 16.162 -3.280 0.237) 16.493 2.565 ( -2.176 0.561 -1.603) 2.760 2.703 ( -2.144 1.556 0.886) 2.794 2.742 ( -4.783 0.390 -0.136) 4.801 2.783 ( -7.481 1.137 -1.113) 7.648 2.837 ( -4.422 4.344 0.037) 6.199 2.859 ( -3.136 -0.219 0.327) 3.160 2.897 ( 3.286 -0.988 1.354) 3.689 2.973 ( -5.655 4.006 -2.221) 7.277 3.017 ( -13.232 3.308 0.336) 13.643 3.306 ( -2.929 -1.962 -0.365) 3.545 3.328 ( 0.922 -0.689 -0.303) 1.191 3.530 ( 0.478 -2.435 1.264) 2.785 3.559 ( 2.773 -4.567 -0.490) 5.365 3.577 ( -1.193 -1.587 -1.322) 2.386 3.784 ( 13.588 -13.833 -0.115) 19.390 3.907 ( 7.054 -7.508 0.604) 10.319 4.224 ( -12.446 1.397 0.439) 12.531 4.265 ( -12.012 0.187 -0.585) 12.028 4.293 ( 8.223 0.393 -0.207) 8.235 4.320 ( 6.156 -0.427 -0.019) 6.171 4.396 ( -1.475 -2.830 -0.577) 3.244 4.450 ( -1.422 -2.035 0.484) 2.529 4.596 ( -3.478 17.383 -0.304) 17.730 4.626 ( -4.073 17.710 0.305) 18.175 5.784 ( -5.233 -7.036 -0.237) 8.772 5.806 ( -4.544 -6.954 0.143) 8.308 7.393 ( 0.897 0.108 0.224) 0.931 7.399 ( 0.853 -0.121 -0.224) 0.890 8.093 ( 6.285 1.117 0.329) 6.392 8.108 ( 6.372 0.640 -0.316) 6.412 8.784 ( -5.202 -0.853 -0.123) 5.273 8.800 ( -5.623 -1.182 0.082) 5.746 9.227 ( 2.638 2.805 -0.073) 3.851 9.248 ( 2.709 2.385 0.118) 3.611 9.605 ( 4.298 -1.762 -0.011) 4.646 9.613 ( 5.222 -2.263 -0.150) 5.693 9.659 ( 2.966 0.834 0.014) 3.081 9.662 ( 4.420 -0.489 0.029) 4.447 9.906 ( 1.433 -1.532 0.163) 2.104 9.912 ( 2.228 -1.788 -0.228) 2.866 9.995 ( -3.883 1.908 -0.184) 4.330 10.010 ( -5.326 2.305 -0.133) 5.805 10.084 ( -2.986 -0.274 0.163) 3.003 10.100 ( -2.428 -0.488 -0.098) 2.479 10.733 ( -0.164 0.103 0.034) 0.197 10.735 ( -0.007 0.216 -0.030) 0.219 11.498 ( 0.689 0.175 -0.437) 0.834 11.507 ( 0.547 -0.182 0.717) 0.920 11.536 ( 0.980 -0.569 -1.167) 1.626 11.619 ( 0.872 0.450 0.657) 1.181 ======================= Grid point 125 (48/171) ======================= q-point: (-0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( 18.522 -4.161 -0.625) 18.994 1.498 ( 26.093 -6.817 0.178) 26.970 1.588 ( 17.522 -0.962 -0.477) 17.555 1.675 ( 12.522 0.058 0.734) 12.543 2.590 ( -0.834 0.077 0.076) 0.841 2.699 ( 13.525 -3.831 1.791) 14.171 2.780 ( -0.166 1.606 -0.431) 1.671 2.805 ( -1.697 0.049 2.506) 3.027 2.853 ( -4.583 1.925 -2.959) 5.785 2.949 ( -5.886 -0.578 -1.297) 6.055 3.060 ( 4.596 2.715 -0.747) 5.391 3.075 ( 17.085 -5.545 -1.006) 17.990 3.265 ( -10.651 4.187 1.540) 11.548 3.344 ( -3.649 -1.335 2.131) 4.432 3.377 ( -5.592 -0.233 1.836) 5.890 3.420 ( -2.693 -3.222 -3.181) 5.268 3.429 ( -16.433 3.584 -1.108) 16.856 3.605 ( -2.991 2.443 -1.114) 4.019 3.688 ( -6.270 -3.455 0.650) 7.188 3.793 ( 0.572 1.224 0.778) 1.560 4.116 ( 7.833 -1.506 -0.045) 7.977 4.127 ( 8.497 1.103 0.079) 8.569 4.415 ( -3.362 -2.059 -0.437) 3.967 4.467 ( -2.729 -1.595 0.226) 3.169 4.520 ( -14.625 -0.973 -0.114) 14.658 4.538 ( -14.731 -0.320 0.088) 14.735 4.849 ( -5.543 13.064 -0.162) 14.192 4.875 ( -4.958 12.229 0.177) 13.197 5.838 ( -7.469 -4.172 0.182) 8.557 5.851 ( -6.892 -4.056 -0.250) 8.001 7.376 ( 0.816 -0.442 0.211) 0.951 7.380 ( 0.739 -0.669 -0.205) 1.018 7.933 ( 10.438 -1.700 0.318) 10.580 7.938 ( 10.564 -1.982 -0.297) 10.753 8.896 ( -6.065 1.443 -0.064) 6.235 8.916 ( -6.297 1.020 0.018) 6.379 9.187 ( 4.441 1.960 0.089) 4.855 9.199 ( 4.763 1.312 -0.011) 4.940 9.428 ( 9.457 -4.317 -0.050) 10.396 9.435 ( 9.812 -4.078 -0.018) 10.626 9.580 ( 4.103 -0.804 -0.145) 4.184 9.601 ( 3.958 -0.381 0.125) 3.978 9.827 ( 5.090 -1.455 -0.094) 5.294 9.838 ( 4.643 -1.546 0.015) 4.894 10.049 ( -1.267 0.295 -0.339) 1.345 10.117 ( -2.975 0.914 0.571) 3.165 10.210 ( -9.555 1.656 -0.090) 9.698 10.224 ( -10.019 2.054 0.082) 10.228 10.737 ( -0.107 0.217 0.017) 0.242 10.741 ( -0.429 0.197 -0.011) 0.472 11.467 ( 2.625 -0.007 -0.718) 2.722 11.487 ( 1.635 -0.368 0.305) 1.703 11.504 ( 1.075 -1.210 -0.428) 1.674 11.592 ( 2.542 -0.272 0.672) 2.643 ======================= Grid point 126 (49/171) ======================= q-point: (-0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( 26.843 -5.160 -0.623) 27.341 1.126 ( 15.119 -1.633 -0.282) 15.210 1.303 ( 10.234 0.475 0.517) 10.258 1.438 ( 13.944 -0.071 0.762) 13.965 2.252 ( 28.626 -6.331 -0.166) 29.318 2.335 ( 38.110 -8.538 0.270) 39.056 2.622 ( -1.961 0.314 -0.621) 2.081 2.816 ( 0.040 2.229 0.148) 2.235 2.885 ( -3.617 -0.608 2.564) 4.475 2.953 ( -3.430 3.409 -1.752) 5.143 3.017 ( -3.526 -2.432 -0.464) 4.308 3.177 ( -2.757 2.896 0.500) 4.030 3.269 ( -1.778 -0.445 4.984) 5.310 3.364 ( -0.108 -0.247 -5.763) 5.769 3.476 ( -4.996 0.518 1.231) 5.171 3.671 ( -5.053 2.543 0.008) 5.657 3.675 ( -10.836 -0.471 0.213) 10.848 3.717 ( -6.427 -1.123 -0.211) 6.528 3.888 ( -17.433 2.390 -0.009) 17.596 3.955 ( -14.470 5.101 0.355) 15.347 3.991 ( 4.773 -1.146 -0.005) 4.909 4.022 ( 4.461 1.750 0.184) 4.796 4.458 ( -3.245 -1.055 -0.185) 3.418 4.505 ( -2.769 -0.685 0.080) 2.853 4.754 ( -12.263 0.106 -0.072) 12.263 4.775 ( -12.043 0.305 0.065) 12.047 5.019 ( -3.521 4.938 -0.013) 6.065 5.027 ( -2.862 4.532 0.039) 5.360 5.954 ( -7.238 -0.571 0.218) 7.263 5.960 ( -8.381 -0.903 -0.241) 8.433 7.359 ( 0.583 -0.507 0.035) 0.774 7.362 ( 0.186 -0.801 -0.029) 0.822 7.727 ( 10.389 -1.576 0.037) 10.508 7.730 ( 10.407 -1.418 -0.042) 10.504 9.000 ( -3.339 1.013 0.094) 3.490 9.003 ( -1.611 0.231 -0.132) 1.633 9.120 ( 4.632 1.104 0.035) 4.762 9.134 ( 2.986 2.441 0.054) 3.857 9.225 ( 9.271 -3.066 0.088) 9.765 9.228 ( 8.124 -3.533 -0.110) 8.860 9.493 ( 4.472 -1.156 -0.080) 4.620 9.517 ( 4.550 -1.013 0.064) 4.662 9.713 ( 6.048 -1.043 -0.053) 6.137 9.727 ( 6.110 -1.084 0.037) 6.205 10.064 ( -0.576 -0.020 -0.210) 0.614 10.174 ( -2.816 0.423 0.549) 2.900 10.406 ( -10.315 1.515 -0.073) 10.426 10.430 ( -10.703 1.605 0.072) 10.822 10.741 ( -0.114 0.067 -0.024) 0.135 10.750 ( -0.441 0.124 0.029) 0.459 11.407 ( 3.546 -0.227 -0.388) 3.574 11.448 ( 2.365 -0.225 -0.056) 2.376 11.473 ( 1.173 -0.836 0.040) 1.441 11.530 ( 4.152 -0.651 0.391) 4.221 ======================= Grid point 130 (50/171) ======================= q-point: ( 0.30 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.433 ( -0.000 11.187 14.491) 18.306 0.525 ( -0.000 20.556 6.635) 21.600 0.880 ( 0.000 16.884 -4.033) 17.359 0.983 ( -0.000 35.037 8.247) 35.994 1.180 ( 0.000 19.570 -9.046) 21.560 1.442 ( 0.000 -0.903 -4.335) 4.428 2.802 ( 0.000 -1.431 -0.631) 1.564 2.849 ( -0.000 -12.891 3.175) 13.276 2.882 ( -0.000 -2.530 1.383) 2.884 2.941 ( 0.000 -2.897 -3.777) 4.760 3.109 ( -0.000 0.547 3.700) 3.740 3.198 ( 0.000 -1.545 -3.415) 3.748 3.445 ( 0.000 -1.605 -1.946) 2.523 3.522 ( 0.000 -9.891 -1.944) 10.080 3.523 ( -0.000 -6.773 1.811) 7.011 3.673 ( 0.000 4.127 -6.280) 7.515 3.853 ( -0.000 -1.512 2.062) 2.557 3.855 ( -0.000 2.178 -0.152) 2.183 3.897 ( -0.000 1.514 0.359) 1.556 3.910 ( -0.000 1.188 0.746) 1.403 4.437 ( 0.000 -8.224 -0.430) 8.235 4.468 ( 0.000 -9.501 -1.142) 9.569 4.503 ( -0.000 -2.633 1.458) 3.010 4.558 ( 0.000 -2.491 -0.341) 2.514 5.073 ( 0.000 -4.977 0.059) 4.977 5.080 ( 0.000 -4.903 -0.136) 4.905 5.081 ( 0.000 -1.554 0.076) 1.556 5.087 ( 0.000 -1.755 -0.106) 1.758 6.124 ( 0.000 -3.541 0.534) 3.581 6.169 ( 0.000 -3.526 -0.755) 3.606 7.405 ( -0.000 -0.051 0.072) 0.088 7.411 ( -0.000 4.465 0.115) 4.466 7.415 ( -0.000 1.083 0.000) 1.083 7.430 ( -0.000 5.724 -0.017) 5.724 8.926 ( -0.000 4.341 -0.083) 4.342 8.935 ( -0.000 4.221 -0.339) 4.234 8.959 ( -0.000 2.561 0.574) 2.625 8.977 ( -0.000 1.683 -0.073) 1.685 9.141 ( 0.000 -2.029 -0.117) 2.033 9.143 ( 0.000 -3.700 -0.150) 3.703 9.414 ( -0.000 5.981 0.024) 5.981 9.417 ( -0.000 5.420 -0.128) 5.421 9.494 ( -0.000 1.900 0.460) 1.955 9.523 ( 0.000 1.702 -0.417) 1.752 10.134 ( -0.000 -4.792 4.915) 6.865 10.259 ( 0.000 -2.481 -2.138) 3.275 10.693 ( 0.000 -5.722 0.101) 5.723 10.704 ( 0.000 -5.365 -0.233) 5.371 10.780 ( -0.000 -0.109 0.298) 0.317 10.804 ( 0.000 -0.215 -0.438) 0.488 11.285 ( -0.000 1.399 0.515) 1.491 11.325 ( 0.000 1.630 -0.720) 1.782 11.399 ( -0.000 3.093 0.242) 3.103 11.441 ( 0.000 1.993 -0.762) 2.134 ======================= Grid point 131 (51/171) ======================= q-point: ( 0.40 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.658 ( -5.637 13.622 10.169) 17.909 0.801 ( -6.575 18.054 5.903) 20.101 1.066 ( -6.131 12.644 -4.939) 14.895 1.195 ( 2.919 -2.720 -11.160) 11.852 1.603 ( -20.932 34.164 3.015) 40.180 1.709 ( -15.576 25.318 1.172) 29.749 2.691 ( 3.895 -6.023 -0.373) 7.182 2.759 ( 0.684 -3.966 -0.421) 4.046 2.868 ( 0.247 -1.614 -3.406) 3.777 2.939 ( -2.235 -1.232 -2.944) 3.896 3.053 ( 3.529 -0.546 -1.490) 3.869 3.227 ( -1.105 -1.616 -2.222) 2.961 3.298 ( 3.834 -3.193 -0.430) 5.008 3.467 ( -0.785 -7.955 -0.258) 7.998 3.488 ( 1.404 -0.695 2.452) 2.909 3.711 ( -2.030 0.051 -2.889) 3.531 3.777 ( 5.120 -0.550 -0.133) 5.152 3.844 ( 1.155 -1.780 0.356) 2.151 3.932 ( -1.653 3.015 -0.446) 3.467 3.963 ( -1.095 2.223 0.268) 2.493 4.236 ( 8.725 -12.780 -0.319) 15.478 4.254 ( 10.046 -14.066 0.060) 17.285 4.490 ( -0.766 -2.259 -0.904) 2.551 4.548 ( -0.684 -2.493 0.536) 2.640 4.950 ( 5.289 -7.781 0.078) 9.409 4.955 ( 5.265 -7.866 -0.132) 9.466 5.074 ( 0.293 -1.844 -0.033) 1.867 5.077 ( 0.312 -2.050 -0.019) 2.073 6.062 ( 2.323 -5.105 0.232) 5.614 6.105 ( 1.964 -4.800 -0.355) 5.199 7.395 ( 0.771 1.029 0.161) 1.296 7.406 ( 0.494 0.722 -0.181) 0.893 7.527 ( -4.614 6.742 0.237) 8.173 7.536 ( -4.098 6.977 -0.033) 8.092 8.988 ( -1.417 5.348 -0.343) 5.543 8.998 ( -1.104 3.562 0.043) 3.729 9.012 ( -1.741 1.573 0.224) 2.357 9.013 ( -1.761 1.233 -0.005) 2.150 9.105 ( -0.926 -0.045 -0.197) 0.948 9.140 ( -1.695 -0.178 0.084) 1.706 9.473 ( -0.244 5.707 0.200) 5.716 9.484 ( -0.884 5.568 -0.149) 5.640 9.568 ( -4.471 3.323 -0.002) 5.570 9.576 ( -3.666 3.031 -0.077) 4.757 10.103 ( 1.014 -1.268 2.109) 2.662 10.207 ( 1.576 -2.299 -2.771) 3.930 10.594 ( 3.738 -7.348 0.286) 8.249 10.610 ( 3.450 -7.359 -0.346) 8.135 10.767 ( 1.153 0.234 0.266) 1.206 10.783 ( 1.524 0.109 -0.357) 1.569 11.326 ( -2.099 2.061 0.852) 3.062 11.365 ( -2.376 1.568 -0.265) 2.859 11.448 ( -1.550 3.574 -0.363) 3.913 11.467 ( -0.649 2.497 -0.710) 2.675 ======================= Grid point 132 (52/171) ======================= q-point: ( 0.50 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( -12.491 15.351 3.634) 20.122 1.144 ( -11.327 13.611 3.972) 18.147 1.157 ( -3.742 6.200 -4.857) 8.719 1.317 ( -9.476 12.734 -4.172) 16.411 2.252 ( -18.375 19.554 -0.031) 26.833 2.316 ( -20.859 21.770 -2.271) 30.236 2.645 ( -2.935 3.545 1.032) 4.717 2.743 ( -2.178 -0.300 2.637) 3.434 2.828 ( 1.386 0.297 -3.498) 3.775 2.936 ( -0.040 -2.856 -0.306) 2.872 3.011 ( -0.685 0.029 -3.863) 3.923 3.141 ( 5.294 -1.731 -2.539) 6.121 3.237 ( 1.841 -4.336 2.809) 5.485 3.381 ( 0.847 -5.706 -4.647) 7.407 3.487 ( 0.245 -1.573 4.674) 4.938 3.671 ( 5.095 -2.749 -0.870) 5.854 3.711 ( 0.915 -2.168 0.167) 2.359 3.793 ( 3.288 -2.517 0.549) 4.177 3.857 ( 13.866 -15.248 -1.066) 20.638 3.908 ( 12.260 -12.845 -0.077) 17.757 4.006 ( -2.344 3.555 0.238) 4.265 4.023 ( -1.498 5.048 -0.800) 5.326 4.469 ( -0.050 -2.802 -0.844) 2.926 4.525 ( 0.676 -2.510 0.581) 2.663 4.745 ( 6.658 -11.202 0.098) 13.031 4.750 ( 6.601 -11.208 -0.122) 13.008 5.016 ( 5.225 -0.865 0.028) 5.296 5.022 ( 4.969 -0.588 -0.064) 5.004 5.953 ( 2.927 -6.328 -0.450) 6.987 6.008 ( 2.740 -5.894 0.398) 6.512 7.397 ( 0.435 1.241 0.162) 1.325 7.408 ( 0.277 1.043 -0.166) 1.092 7.707 ( -7.129 7.970 0.095) 10.693 7.710 ( -6.861 8.095 -0.039) 10.611 8.957 ( 2.529 -4.554 -0.350) 5.221 8.984 ( 1.791 -4.586 0.290) 4.931 9.075 ( -2.268 5.326 -0.371) 5.800 9.098 ( -2.552 4.855 0.313) 5.494 9.226 ( -6.858 5.890 0.052) 9.040 9.237 ( -6.212 4.685 -0.026) 7.780 9.542 ( -1.339 4.705 0.350) 4.904 9.555 ( -1.316 4.723 -0.365) 4.916 9.690 ( -5.230 3.731 0.198) 6.428 9.698 ( -5.354 3.858 -0.177) 6.601 10.087 ( 0.770 -0.362 1.096) 1.388 10.149 ( 1.590 -1.411 -2.481) 3.267 10.429 ( 6.297 -7.298 0.269) 9.642 10.444 ( 6.340 -7.406 -0.309) 9.754 10.752 ( 0.889 0.156 0.182) 0.921 10.759 ( 1.131 0.018 -0.208) 1.151 11.395 ( -2.729 1.795 0.955) 3.403 11.425 ( -2.592 1.275 0.360) 2.911 11.501 ( -1.015 2.346 -0.885) 2.705 11.517 ( -1.961 3.037 -0.567) 3.660 ======================= Grid point 133 (53/171) ======================= q-point: ( 0.60 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( -15.435 13.151 -1.161) 20.311 1.469 ( -15.645 15.910 0.907) 22.332 1.490 ( -13.515 11.041 1.276) 17.498 1.606 ( -9.636 12.207 -1.808) 15.656 2.522 ( -3.010 1.301 -3.430) 4.745 2.626 ( -6.426 4.535 -1.319) 7.975 2.778 ( -0.963 0.928 1.961) 2.374 2.813 ( 0.048 1.932 -1.079) 2.214 2.870 ( 3.274 -4.522 0.844) 5.646 2.948 ( 3.327 -1.118 -1.687) 3.895 3.085 ( 0.203 -2.767 4.039) 4.900 3.117 ( -14.902 14.553 2.658) 20.998 3.232 ( -8.797 6.753 -3.181) 11.538 3.293 ( 5.092 -6.603 -4.146) 9.312 3.364 ( 13.639 -11.963 -0.378) 18.146 3.439 ( 11.710 -12.053 1.083) 16.840 3.477 ( 0.130 -5.634 1.695) 5.885 3.632 ( 5.436 -1.072 -0.193) 5.544 3.700 ( 0.558 -3.803 -0.370) 3.861 3.788 ( -1.352 1.325 -0.279) 1.914 4.113 ( -4.129 6.425 0.064) 7.637 4.134 ( -3.776 7.362 -0.197) 8.276 4.433 ( 0.075 -3.408 -0.583) 3.458 4.472 ( 3.176 -5.737 0.175) 6.560 4.501 ( 6.723 -13.487 -0.108) 15.070 4.521 ( 4.328 -10.014 0.304) 10.914 4.861 ( 12.618 1.108 0.384) 12.673 4.873 ( 12.438 1.327 -0.383) 12.514 5.847 ( 0.596 -7.295 -0.494) 7.336 5.904 ( 1.411 -7.187 0.444) 7.337 7.402 ( 0.489 1.229 0.144) 1.331 7.413 ( 0.412 0.981 -0.152) 1.075 7.921 ( -7.105 8.400 -0.024) 11.002 7.927 ( -7.767 8.011 0.018) 11.158 8.854 ( 2.775 -5.738 -0.177) 6.376 8.884 ( 2.897 -6.312 0.145) 6.947 9.162 ( -1.624 4.835 -0.270) 5.107 9.187 ( -1.798 4.492 0.219) 4.844 9.420 ( -8.290 5.319 -0.016) 9.849 9.425 ( -8.516 5.826 0.082) 10.319 9.606 ( -1.011 3.183 0.114) 3.341 9.618 ( -0.862 3.876 -0.163) 3.974 9.815 ( -4.526 3.089 0.185) 5.483 9.826 ( -4.851 3.294 -0.221) 5.868 10.070 ( 1.255 -0.576 0.816) 1.604 10.100 ( 1.871 -1.286 -1.567) 2.759 10.239 ( 6.988 -6.643 -0.025) 9.642 10.249 ( 7.269 -6.497 -0.067) 9.750 10.740 ( 0.560 -0.076 0.085) 0.571 10.743 ( 0.680 0.036 -0.087) 0.686 11.457 ( -2.146 1.083 0.520) 2.459 11.478 ( -1.816 0.908 0.813) 2.187 11.532 ( -0.622 1.533 -0.982) 1.925 11.574 ( -1.617 2.222 -0.389) 2.776 ======================= Grid point 134 (54/171) ======================= q-point: ( 0.70 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( -6.392 8.451 0.072) 10.596 1.784 ( -10.819 10.204 -0.725) 14.889 1.847 ( -5.798 9.612 0.203) 11.227 1.932 ( -13.320 12.498 0.205) 18.266 2.539 ( -0.439 -0.956 -1.794) 2.080 2.682 ( 0.323 0.321 -0.234) 0.512 2.747 ( 3.324 -5.137 0.800) 6.171 2.792 ( 2.935 -4.034 -0.953) 5.079 2.818 ( -0.003 -0.564 0.567) 0.800 2.849 ( 4.697 -1.367 -0.898) 4.974 2.891 ( 5.396 -2.392 -0.645) 5.937 3.005 ( 5.487 -4.008 0.930) 6.859 3.064 ( 10.716 -9.104 1.044) 14.100 3.289 ( -1.454 -3.207 -0.930) 3.642 3.335 ( -0.580 1.790 -0.060) 1.883 3.509 ( -5.808 -2.043 2.016) 6.478 3.549 ( -1.808 -1.623 -2.031) 3.166 3.622 ( 0.504 -0.452 -0.155) 0.694 3.760 ( -18.228 6.885 -0.183) 19.486 3.926 ( -11.198 1.628 0.177) 11.317 4.215 ( 6.694 -11.509 0.113) 13.315 4.240 ( 5.489 -8.902 -0.173) 10.459 4.286 ( -3.499 6.605 0.181) 7.477 4.313 ( -3.373 6.634 -0.265) 7.447 4.412 ( -1.437 -2.378 -0.330) 2.798 4.458 ( 0.273 -2.676 0.258) 2.703 4.616 ( 17.043 5.076 0.612) 17.793 4.627 ( 16.766 4.516 -0.601) 17.374 5.788 ( -2.666 -7.780 -0.286) 8.229 5.829 ( -1.565 -7.836 0.228) 7.994 7.403 ( 0.727 0.834 0.157) 1.118 7.410 ( 0.676 0.482 -0.162) 0.846 8.091 ( -2.385 6.331 0.102) 6.766 8.105 ( -2.979 5.903 -0.104) 6.614 8.766 ( 0.035 -4.914 -0.088) 4.915 8.785 ( 0.287 -5.505 0.060) 5.513 9.219 ( 0.248 3.909 -0.132) 3.919 9.244 ( 0.224 3.600 0.125) 3.609 9.608 ( -6.411 3.719 -0.017) 7.412 9.622 ( -6.659 4.285 0.065) 7.918 9.635 ( 0.275 1.277 -0.120) 1.312 9.654 ( 0.578 2.470 0.051) 2.538 9.904 ( -2.596 1.517 -0.131) 3.009 9.924 ( -2.988 1.926 0.034) 3.555 10.008 ( 5.060 -3.402 0.015) 6.098 10.013 ( 4.876 -3.285 -0.053) 5.880 10.095 ( 2.134 -2.870 0.454) 3.606 10.105 ( 2.020 -2.423 -0.759) 3.245 10.732 ( 0.156 -0.129 -0.000) 0.202 10.735 ( 0.324 0.197 0.002) 0.379 11.492 ( -0.868 0.483 -0.023) 0.994 11.510 ( -0.599 0.316 1.011) 1.217 11.542 ( 0.140 0.390 -1.178) 1.248 11.612 ( -0.653 1.405 0.103) 1.552 ======================= Grid point 135 (55/171) ======================= q-point: (-0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( 13.152 -0.556 -0.313) 13.168 1.829 ( 5.090 3.209 0.009) 6.017 1.872 ( 12.603 -0.668 0.026) 12.621 1.961 ( 16.392 -3.280 0.079) 16.717 2.556 ( -2.735 0.261 -0.592) 2.811 2.707 ( -2.819 1.896 0.299) 3.411 2.742 ( -3.496 0.213 0.128) 3.505 2.776 ( -9.177 1.093 -0.566) 9.259 2.836 ( -4.754 4.698 -0.063) 6.684 2.861 ( -2.309 -1.082 0.262) 2.563 2.906 ( 4.418 -1.761 0.758) 4.816 2.958 ( -5.442 4.615 -1.262) 7.246 3.019 ( -13.676 3.691 0.248) 14.167 3.302 ( -2.087 -1.182 -0.430) 2.437 3.329 ( -0.554 -1.657 0.162) 1.754 3.538 ( 0.261 -2.684 0.664) 2.777 3.557 ( 2.186 -3.371 0.115) 4.019 3.567 ( 0.079 -2.530 -1.006) 2.724 3.784 ( 13.517 -14.404 -0.031) 19.753 3.910 ( 6.716 -6.953 0.219) 9.670 4.227 ( -11.083 1.703 0.221) 11.215 4.262 ( -14.231 -0.394 -0.289) 14.239 4.292 ( 9.413 0.798 -0.064) 9.447 4.320 ( 5.808 -0.606 -0.012) 5.840 4.393 ( -1.370 -2.862 -0.199) 3.179 4.453 ( -1.429 -2.040 0.165) 2.496 4.594 ( -3.455 17.358 -0.103) 17.698 4.628 ( -4.117 17.718 0.104) 18.191 5.782 ( -5.345 -7.077 -0.084) 8.869 5.807 ( -4.443 -6.935 0.049) 8.236 7.394 ( 0.926 0.195 0.174) 0.962 7.397 ( 0.822 -0.208 -0.174) 0.866 8.095 ( 6.281 1.206 0.173) 6.398 8.106 ( 6.369 0.552 -0.168) 6.395 8.784 ( -5.213 -0.867 -0.044) 5.285 8.801 ( -5.612 -1.176 0.029) 5.734 9.227 ( 2.590 2.796 -0.026) 3.811 9.249 ( 2.746 2.406 0.043) 3.652 9.605 ( 4.060 -1.607 0.000) 4.367 9.612 ( 5.474 -2.472 -0.062) 6.006 9.659 ( 2.873 0.927 0.007) 3.019 9.662 ( 4.502 -0.556 0.009) 4.536 9.907 ( 1.214 -1.626 0.124) 2.033 9.911 ( 2.424 -1.718 -0.148) 2.975 9.994 ( -3.570 1.834 -0.072) 4.015 10.010 ( -5.613 2.293 -0.049) 6.064 10.085 ( -2.905 -0.214 0.069) 2.914 10.099 ( -2.674 -0.516 -0.045) 2.724 10.733 ( -0.220 0.071 0.016) 0.232 10.734 ( 0.049 0.249 -0.014) 0.254 11.495 ( 0.905 0.233 -0.211) 0.958 11.513 ( 0.639 -0.254 0.707) 0.986 11.528 ( 0.746 -0.693 -0.814) 1.303 11.622 ( 0.792 0.533 0.231) 0.982 ======================= Grid point 136 (56/171) ======================= q-point: (-0.10 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( 18.324 -4.140 -0.000) 18.786 1.499 ( 26.310 -6.977 -0.000) 27.220 1.586 ( 17.499 -0.900 -0.000) 17.522 1.678 ( 12.362 0.090 -0.000) 12.363 2.590 ( -1.341 -0.013 0.000) 1.341 2.707 ( 15.049 -4.549 -0.000) 15.721 2.778 ( -1.226 2.422 0.000) 2.714 2.822 ( -1.306 -0.793 0.000) 1.528 2.835 ( -5.222 2.726 0.000) 5.891 2.943 ( -5.809 -0.976 0.000) 5.891 3.057 ( 3.490 3.309 -0.000) 4.809 3.071 ( 18.300 -5.895 -0.000) 19.226 3.271 ( -15.355 6.051 0.000) 16.504 3.358 ( 4.599 -4.197 -0.000) 6.226 3.382 ( -5.830 -1.351 0.000) 5.984 3.401 ( -5.144 -1.043 0.000) 5.248 3.427 ( -17.791 3.565 0.000) 18.145 3.600 ( -3.093 2.272 0.000) 3.838 3.690 ( -6.342 -3.494 0.000) 7.241 3.797 ( 0.667 1.369 -0.000) 1.522 4.116 ( 7.796 -1.562 -0.000) 7.951 4.128 ( 8.506 1.192 -0.000) 8.589 4.413 ( -3.393 -2.090 0.000) 3.985 4.468 ( -2.740 -1.596 0.000) 3.171 4.520 ( -14.609 -1.004 0.000) 14.644 4.538 ( -14.741 -0.300 0.000) 14.744 4.848 ( -5.559 13.087 -0.000) 14.219 4.876 ( -4.946 12.209 -0.000) 13.173 5.838 ( -7.676 -4.307 0.000) 8.802 5.850 ( -6.693 -3.932 0.000) 7.763 7.377 ( 0.915 -0.321 -0.000) 0.970 7.378 ( 0.638 -0.789 -0.000) 1.015 7.935 ( 10.438 -1.604 -0.000) 10.561 7.936 ( 10.564 -2.079 -0.000) 10.767 8.895 ( -6.084 1.425 0.000) 6.249 8.916 ( -6.277 1.030 0.000) 6.361 9.187 ( 4.388 1.958 -0.000) 4.805 9.199 ( 4.810 1.324 -0.000) 4.988 9.428 ( 9.465 -4.334 -0.000) 10.411 9.435 ( 9.798 -4.059 -0.000) 10.605 9.580 ( 4.102 -0.820 -0.000) 4.183 9.602 ( 3.954 -0.374 -0.000) 3.972 9.827 ( 5.103 -1.464 -0.000) 5.309 9.838 ( 4.623 -1.549 -0.000) 4.876 10.048 ( -1.278 0.280 0.000) 1.308 10.120 ( -3.093 0.937 0.000) 3.232 10.210 ( -9.534 1.634 0.000) 9.673 10.225 ( -10.028 2.058 0.000) 10.237 10.737 ( -0.089 0.211 -0.000) 0.229 10.741 ( -0.447 0.203 0.000) 0.491 11.464 ( 2.664 -0.027 -0.000) 2.664 11.489 ( 1.790 -0.409 -0.000) 1.836 11.502 ( 0.880 -1.185 -0.000) 1.476 11.595 ( 2.518 -0.253 -0.000) 2.531 ======================= Grid point 139 (57/171) ======================= q-point: ( 0.20 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.557 ( 18.101 -0.000 9.430) 20.410 0.826 ( 19.374 -0.000 4.750) 19.948 1.169 ( 13.205 0.000 -4.456) 13.936 1.232 ( -3.431 0.000 -9.715) 10.303 1.586 ( 41.233 0.000 2.907) 41.336 1.667 ( 31.746 0.000 1.288) 31.772 2.692 ( -5.358 -0.000 1.994) 5.717 2.832 ( -0.779 -0.000 0.273) 0.826 2.907 ( -4.803 0.000 -5.217) 7.091 2.991 ( -0.272 0.000 -5.653) 5.660 3.030 ( 0.661 -0.000 1.827) 1.943 3.191 ( 0.807 0.000 -2.194) 2.337 3.302 ( -4.477 -0.000 1.350) 4.676 3.465 ( -2.236 -0.000 5.908) 6.317 3.529 ( -4.393 0.000 -3.303) 5.496 3.722 ( -1.319 0.000 -3.804) 4.026 3.778 ( -2.710 -0.000 0.649) 2.786 3.828 ( -7.046 -0.000 -0.605) 7.072 3.919 ( 2.707 0.000 0.017) 2.707 3.934 ( 3.228 0.000 -0.767) 3.318 4.246 ( -13.947 -0.000 -0.273) 13.949 4.252 ( -16.722 -0.000 -0.407) 16.727 4.506 ( -2.207 -0.000 0.714) 2.320 4.544 ( -2.192 -0.000 -0.318) 2.215 4.944 ( -8.580 -0.000 0.213) 8.583 4.958 ( -8.349 -0.000 -0.199) 8.352 5.086 ( -1.897 -0.000 -0.025) 1.897 5.088 ( -2.196 -0.000 -0.084) 2.197 6.068 ( -5.306 -0.000 0.325) 5.316 6.091 ( -6.393 -0.000 -0.355) 6.403 7.350 ( 0.118 -0.000 0.106) 0.159 7.358 ( -0.253 0.000 -0.129) 0.284 7.555 ( 7.938 0.000 0.099) 7.939 7.560 ( 7.760 0.000 0.039) 7.760 8.967 ( 3.838 0.000 0.189) 3.843 8.984 ( 4.087 0.000 -0.310) 4.099 9.058 ( 7.065 0.000 0.093) 7.065 9.068 ( 6.164 0.000 -0.276) 6.170 9.126 ( -2.329 -0.000 0.419) 2.366 9.152 ( -1.229 0.000 -0.413) 1.297 9.413 ( 3.862 0.000 0.346) 3.878 9.431 ( 3.981 0.000 -0.241) 3.988 9.606 ( 5.303 0.000 0.019) 5.303 9.610 ( 6.111 0.000 -0.113) 6.113 10.088 ( -1.454 -0.000 1.952) 2.434 10.210 ( -3.035 0.000 -2.357) 3.843 10.593 ( -9.305 -0.000 0.296) 9.310 10.616 ( -9.364 -0.000 -0.399) 9.372 10.744 ( -0.080 -0.000 0.172) 0.190 10.756 ( -0.253 0.000 -0.185) 0.314 11.350 ( 3.687 -0.000 1.012) 3.824 11.410 ( 2.124 -0.000 0.547) 2.194 11.430 ( 4.863 0.000 -1.511) 5.093 11.445 ( 1.455 0.000 -0.465) 1.528 ======================= Grid point 141 (58/171) ======================= q-point: ( 0.40 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.562 ( -0.000 7.892 18.022) 19.675 0.584 ( -0.000 18.518 8.325) 20.303 0.840 ( 0.000 14.875 -6.127) 16.087 1.059 ( -0.000 33.513 10.937) 35.252 1.096 ( 0.000 14.844 -12.579) 19.457 1.397 ( 0.000 6.693 -7.289) 9.895 2.801 ( -0.000 -1.224 0.532) 1.334 2.860 ( 0.000 -7.819 -0.164) 7.821 2.888 ( 0.000 -5.469 -0.052) 5.470 2.913 ( 0.000 -9.741 -3.251) 10.270 3.141 ( -0.000 -0.842 4.275) 4.357 3.182 ( 0.000 -2.759 -0.638) 2.832 3.430 ( 0.000 -1.525 -1.847) 2.395 3.501 ( 0.000 -10.947 -3.514) 11.498 3.535 ( -0.000 -4.533 1.398) 4.743 3.623 ( 0.000 5.664 -6.132) 8.348 3.854 ( -0.000 1.803 0.002) 1.803 3.861 ( -0.000 -0.847 0.334) 0.910 3.900 ( -0.000 1.704 0.461) 1.765 3.914 ( -0.000 1.246 0.120) 1.251 4.435 ( 0.000 -7.812 -0.104) 7.813 4.459 ( 0.000 -8.893 -1.316) 8.990 4.515 ( -0.000 -3.240 1.629) 3.626 4.554 ( 0.000 -3.031 -0.636) 3.096 5.073 ( 0.000 -4.970 0.098) 4.971 5.078 ( 0.000 -4.959 -0.182) 4.962 5.081 ( 0.000 -1.532 0.112) 1.536 5.086 ( 0.000 -1.722 -0.140) 1.728 6.130 ( -0.000 -3.508 0.794) 3.597 6.162 ( 0.000 -3.504 -1.005) 3.645 7.405 ( -0.000 -0.008 0.121) 0.121 7.411 ( -0.000 1.417 -0.145) 1.424 7.417 ( -0.000 4.198 0.317) 4.210 7.429 ( -0.000 5.727 -0.207) 5.731 8.925 ( -0.000 4.315 -0.020) 4.315 8.932 ( -0.000 4.220 -0.381) 4.237 8.964 ( -0.000 2.435 0.581) 2.503 8.976 ( -0.000 1.845 -0.167) 1.853 9.140 ( 0.000 -2.245 -0.098) 2.248 9.142 ( 0.000 -3.469 -0.187) 3.474 9.414 ( -0.000 5.921 0.008) 5.921 9.416 ( -0.000 5.546 -0.131) 5.547 9.498 ( -0.000 1.858 0.611) 1.956 9.519 ( 0.000 1.721 -0.572) 1.814 10.167 ( -0.000 -5.913 3.540) 6.892 10.241 ( 0.000 -2.908 -2.414) 3.779 10.694 ( 0.000 -5.591 0.159) 5.593 10.702 ( 0.000 -5.375 -0.300) 5.383 10.783 ( -0.000 -0.124 0.428) 0.446 10.800 ( 0.000 -0.196 -0.570) 0.602 11.290 ( -0.000 1.536 0.694) 1.686 11.318 ( 0.000 1.814 -0.935) 2.040 11.402 ( -0.000 2.734 0.617) 2.803 11.434 ( 0.000 2.039 -1.024) 2.282 ======================= Grid point 142 (59/171) ======================= q-point: ( 0.50 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( -4.130 9.845 13.218) 16.991 0.852 ( -6.514 16.557 7.061) 19.142 1.022 ( -5.919 13.323 -6.413) 15.927 1.098 ( 1.487 0.407 -13.407) 13.495 1.627 ( -19.001 32.381 2.807) 37.648 1.715 ( -16.383 25.597 0.437) 30.394 2.687 ( 4.201 -6.637 -0.572) 7.876 2.758 ( 0.649 -4.723 0.205) 4.772 2.841 ( 0.746 -1.641 -3.001) 3.501 2.909 ( -2.464 -0.462 -4.403) 5.067 3.052 ( 3.794 -1.392 1.123) 4.195 3.211 ( 1.534 -1.745 -2.017) 3.077 3.301 ( 0.464 -3.399 0.981) 3.568 3.450 ( -0.596 -9.321 -2.646) 9.708 3.518 ( 1.298 1.033 3.827) 4.171 3.683 ( -2.769 1.350 -3.746) 4.850 3.778 ( 5.699 0.028 0.305) 5.707 3.846 ( 0.824 -2.202 0.163) 2.357 3.930 ( -1.676 3.035 -0.275) 3.478 3.964 ( -0.848 2.027 0.085) 2.198 4.234 ( 8.578 -12.418 -0.262) 15.095 4.254 ( 10.258 -14.561 0.056) 17.812 4.484 ( -0.436 -1.938 -0.650) 2.091 4.552 ( -1.013 -2.763 0.366) 2.966 4.950 ( 5.280 -7.796 0.107) 9.417 4.954 ( 5.269 -7.846 -0.151) 9.452 5.074 ( 0.321 -1.926 -0.025) 1.953 5.077 ( 0.282 -1.970 -0.018) 1.991 6.063 ( 2.677 -5.169 0.227) 5.826 6.102 ( 1.595 -4.690 -0.327) 4.965 7.396 ( 0.765 1.027 0.174) 1.292 7.405 ( 0.479 0.716 -0.191) 0.883 7.529 ( -4.497 6.822 0.283) 8.176 7.535 ( -4.175 6.895 -0.135) 8.062 8.985 ( -1.403 5.267 -0.241) 5.456 8.998 ( -1.039 3.399 0.027) 3.554 9.012 ( -1.424 1.063 -0.062) 1.778 9.014 ( -2.067 1.924 0.205) 2.831 9.104 ( -0.930 0.330 -0.150) 0.998 9.140 ( -1.811 -0.471 0.058) 1.872 9.474 ( -0.287 5.913 0.209) 5.924 9.483 ( -0.798 5.433 -0.169) 5.494 9.568 ( -4.245 3.166 0.001) 5.296 9.576 ( -3.908 3.208 -0.066) 5.057 10.121 ( 1.364 -1.904 2.375) 3.336 10.185 ( 1.579 -2.320 -3.014) 4.119 10.596 ( 3.698 -7.362 0.361) 8.246 10.607 ( 3.495 -7.325 -0.419) 8.127 10.769 ( 1.226 0.249 0.334) 1.295 10.780 ( 1.420 0.101 -0.408) 1.481 11.333 ( -2.135 2.131 0.936) 3.159 11.362 ( -2.566 1.893 -0.532) 3.233 11.447 ( -1.247 3.218 -0.007) 3.451 11.461 ( -0.796 2.612 -0.790) 2.843 ======================= Grid point 143 (60/171) ======================= q-point: ( 0.60 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( -10.214 12.813 4.734) 17.056 1.115 ( -6.633 8.023 -5.540) 11.792 1.178 ( -10.029 13.230 4.187) 17.121 1.283 ( -10.043 13.821 -4.200) 17.594 2.253 ( -18.050 19.200 0.249) 26.353 2.299 ( -19.092 19.268 -1.843) 27.187 2.651 ( -3.593 4.521 0.490) 5.796 2.766 ( -4.224 2.560 3.057) 5.809 2.806 ( 1.139 0.200 -1.743) 2.092 2.920 ( -1.634 -0.778 -3.437) 3.884 2.994 ( 1.250 -2.311 -0.521) 2.679 3.124 ( 4.557 -1.323 -1.851) 5.093 3.266 ( 1.978 -5.009 4.430) 6.973 3.343 ( 1.199 -5.390 -5.077) 7.501 3.517 ( 0.295 -2.405 2.859) 3.747 3.662 ( 4.774 -2.298 -1.123) 5.416 3.714 ( 0.467 -0.956 0.424) 1.145 3.796 ( 3.041 -2.482 0.273) 3.935 3.850 ( 14.899 -15.910 -0.697) 21.808 3.907 ( 12.322 -13.071 -0.065) 17.963 4.008 ( -2.191 3.924 0.398) 4.512 4.017 ( -1.837 4.772 -0.735) 5.165 4.463 ( -0.033 -2.726 -0.467) 2.766 4.528 ( 0.631 -2.621 0.307) 2.714 4.746 ( 6.672 -11.202 0.102) 13.039 4.749 ( 6.576 -11.196 -0.117) 12.985 5.016 ( 5.173 -0.772 0.020) 5.230 5.022 ( 5.011 -0.680 -0.041) 5.057 5.950 ( 3.065 -6.337 -0.252) 7.044 6.011 ( 2.598 -5.875 0.220) 6.427 7.398 ( 0.470 1.281 0.126) 1.370 7.407 ( 0.244 1.004 -0.129) 1.041 7.708 ( -6.972 8.080 0.093) 10.672 7.710 ( -6.987 7.967 -0.060) 10.597 8.955 ( 2.522 -4.529 -0.190) 5.187 8.986 ( 1.785 -4.587 0.153) 4.924 9.073 ( -2.236 5.365 -0.198) 5.816 9.100 ( -2.564 4.816 0.163) 5.458 9.226 ( -6.867 5.953 0.033) 9.088 9.237 ( -6.238 4.607 -0.017) 7.755 9.545 ( -1.327 4.663 0.411) 4.865 9.552 ( -1.299 4.779 -0.422) 4.971 9.692 ( -5.384 3.799 0.186) 6.592 9.697 ( -5.194 3.819 -0.174) 6.449 10.098 ( 0.950 -0.624 1.603) 1.965 10.130 ( 1.364 -1.155 -2.452) 3.035 10.431 ( 6.319 -7.414 0.257) 9.745 10.441 ( 6.315 -7.279 -0.286) 9.640 10.753 ( 0.951 0.184 0.205) 0.990 10.758 ( 1.056 -0.008 -0.220) 1.078 11.401 ( -2.686 1.685 0.628) 3.233 11.428 ( -2.796 1.464 0.302) 3.171 11.494 ( -1.032 2.330 -0.739) 2.653 11.513 ( -1.829 3.036 -0.279) 3.556 ======================= Grid point 144 (61/171) ======================= q-point: ( 0.70 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( -15.564 13.117 -0.413) 20.359 1.474 ( -16.344 16.100 0.310) 22.944 1.498 ( -12.354 10.308 0.630) 16.103 1.595 ( -10.120 12.830 -0.822) 16.362 2.504 ( -3.393 1.398 -1.274) 3.884 2.619 ( -6.372 4.502 -0.480) 7.817 2.789 ( -0.010 0.952 0.929) 1.330 2.806 ( -0.691 1.993 -0.617) 2.198 2.876 ( 3.626 -5.151 0.521) 6.321 2.938 ( 2.940 -0.738 -0.835) 3.144 3.107 ( -4.399 -0.063 1.398) 4.616 3.137 ( -10.740 11.780 2.035) 16.070 3.213 ( -9.330 7.898 -1.585) 12.327 3.267 ( 5.086 -6.805 -2.072) 8.745 3.362 ( 13.958 -12.365 -0.136) 18.648 3.445 ( 12.731 -12.603 0.366) 17.918 3.486 ( -0.777 -5.631 0.651) 5.721 3.631 ( 5.830 -1.143 -0.106) 5.942 3.698 ( 0.559 -3.237 -0.131) 3.288 3.786 ( -1.516 1.123 -0.118) 1.890 4.113 ( -3.913 6.724 0.027) 7.780 4.133 ( -4.056 7.086 -0.078) 8.165 4.430 ( 0.016 -3.397 -0.208) 3.403 4.473 ( 3.317 -5.953 0.054) 6.815 4.501 ( 6.803 -13.595 -0.035) 15.202 4.523 ( 4.145 -9.738 0.108) 10.584 4.864 ( 12.416 1.142 0.274) 12.471 4.870 ( 12.631 1.291 -0.273) 12.699 5.845 ( 0.597 -7.283 -0.174) 7.309 5.906 ( 1.410 -7.212 0.154) 7.351 7.403 ( 0.517 1.288 0.067) 1.390 7.412 ( 0.385 0.923 -0.070) 1.002 7.921 ( -7.107 8.428 -0.009) 11.024 7.927 ( -7.759 7.985 0.006) 11.133 8.853 ( 2.752 -5.726 -0.064) 6.354 8.884 ( 2.920 -6.326 0.052) 6.968 9.160 ( -1.635 4.843 -0.095) 5.112 9.188 ( -1.792 4.489 0.075) 4.834 9.420 ( -8.288 5.293 -0.004) 9.834 9.426 ( -8.526 5.844 0.030) 10.337 9.607 ( -0.989 3.001 0.051) 3.160 9.617 ( -0.876 4.055 -0.070) 4.150 9.816 ( -4.422 3.041 0.089) 5.368 9.824 ( -4.932 3.319 -0.103) 5.946 10.078 ( 1.378 -0.770 1.153) 1.955 10.089 ( 1.588 -1.001 -1.440) 2.365 10.239 ( 7.058 -6.764 -0.003) 9.776 10.249 ( 7.243 -6.419 -0.031) 9.678 10.741 ( 0.570 -0.191 0.059) 0.604 10.742 ( 0.667 0.152 -0.060) 0.687 11.459 ( -2.041 1.027 0.130) 2.288 11.485 ( -1.952 0.902 0.573) 2.226 11.525 ( -0.568 1.432 -0.593) 1.651 11.572 ( -1.644 2.370 -0.125) 2.887 ======================= Grid point 145 (62/171) ======================= q-point: ( 0.80 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( -6.261 8.284 0.000) 10.384 1.781 ( -10.964 10.221 0.000) 14.989 1.848 ( -5.802 9.647 0.000) 11.257 1.933 ( -13.354 12.591 0.000) 18.354 2.531 ( -0.610 -1.105 0.000) 1.262 2.681 ( 0.269 0.435 -0.000) 0.512 2.751 ( 3.046 -4.746 -0.000) 5.639 2.787 ( 4.039 -5.035 -0.000) 6.454 2.821 ( -1.879 -0.192 0.000) 1.889 2.845 ( 5.215 -0.971 -0.000) 5.304 2.889 ( 6.242 -2.856 -0.000) 6.865 3.008 ( 5.532 -4.056 -0.000) 6.860 3.068 ( 10.550 -9.079 -0.000) 13.918 3.285 ( -1.428 -2.940 0.000) 3.268 3.335 ( -0.709 1.629 -0.000) 1.776 3.520 ( -6.410 -2.589 0.000) 6.913 3.538 ( -1.362 -1.183 0.000) 1.804 3.622 ( 0.511 -0.489 -0.000) 0.707 3.759 ( -17.892 6.958 0.000) 19.197 3.927 ( -11.423 1.680 0.000) 11.546 4.215 ( 6.782 -11.612 -0.000) 13.448 4.239 ( 5.394 -8.816 -0.000) 10.335 4.287 ( -3.400 6.572 0.000) 7.399 4.312 ( -3.423 6.545 0.000) 7.386 4.410 ( -1.483 -2.315 0.000) 2.749 4.459 ( 0.306 -2.672 0.000) 2.689 4.620 ( 17.433 5.525 -0.000) 18.288 4.624 ( 16.364 4.054 -0.000) 16.859 5.787 ( -2.683 -7.778 0.000) 8.228 5.830 ( -1.551 -7.850 0.000) 8.001 7.404 ( 0.742 0.895 -0.000) 1.163 7.409 ( 0.660 0.421 -0.000) 0.783 8.092 ( -2.399 6.386 -0.000) 6.822 8.104 ( -2.967 5.850 0.000) 6.559 8.766 ( 0.030 -4.919 0.000) 4.919 8.786 ( 0.290 -5.503 0.000) 5.510 9.218 ( 0.232 3.908 -0.000) 3.915 9.245 ( 0.234 3.606 -0.000) 3.613 9.608 ( -6.427 3.723 0.000) 7.427 9.622 ( -6.659 4.283 0.000) 7.917 9.635 ( 0.291 1.231 -0.000) 1.265 9.654 ( 0.580 2.499 -0.000) 2.566 9.903 ( -2.553 1.481 0.000) 2.951 9.924 ( -3.041 1.958 0.000) 3.617 10.008 ( 5.214 -3.623 -0.000) 6.350 10.012 ( 4.735 -3.095 -0.000) 5.657 10.099 ( 1.520 -2.595 -0.000) 3.007 10.100 ( 2.580 -2.691 -0.000) 3.729 10.732 ( 0.148 -0.147 -0.000) 0.209 10.735 ( 0.331 0.216 -0.000) 0.396 11.492 ( -0.784 0.503 0.000) 0.932 11.515 ( -0.667 0.255 0.000) 0.714 11.536 ( 0.176 0.335 -0.000) 0.379 11.613 ( -0.700 1.474 -0.000) 1.632 ======================= Grid point 150 (63/171) ======================= q-point: ( 0.20 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( 24.327 -4.485 3.161) 24.938 1.129 ( 13.000 -1.831 -0.559) 13.140 1.289 ( 14.821 0.091 -0.357) 14.826 1.405 ( 14.881 -0.146 -3.328) 15.249 2.260 ( 28.453 -5.927 0.775) 29.075 2.323 ( 33.699 -7.641 -1.288) 34.578 2.649 ( 1.096 -0.091 2.614) 2.836 2.805 ( -1.419 1.293 -3.189) 3.723 2.828 ( -0.293 0.172 -1.027) 1.082 2.990 ( -0.323 -0.272 -0.590) 0.726 3.012 ( -1.411 0.704 0.253) 1.597 3.147 ( -3.522 2.636 -3.147) 5.409 3.223 ( -3.261 0.067 1.511) 3.595 3.423 ( -4.793 0.667 -4.664) 6.721 3.479 ( -1.226 -0.624 6.744) 6.883 3.656 ( -9.070 -0.587 -1.824) 9.270 3.677 ( -3.486 2.302 0.277) 4.186 3.724 ( -7.778 -1.025 0.389) 7.854 3.890 ( -17.733 3.280 0.293) 18.036 3.940 ( -15.049 4.835 -1.400) 15.868 3.992 ( 5.068 -0.804 0.085) 5.132 4.014 ( 4.445 1.001 -0.630) 4.599 4.466 ( -3.033 -0.803 0.759) 3.228 4.501 ( -2.903 -0.781 -0.430) 3.037 4.757 ( -12.218 0.141 0.318) 12.223 4.773 ( -12.067 0.284 -0.295) 12.074 5.020 ( -3.418 4.872 0.076) 5.952 5.026 ( -2.942 4.580 -0.157) 5.445 5.949 ( -7.554 0.005 -0.253) 7.559 5.966 ( -7.996 -1.447 0.325) 8.133 7.358 ( 0.455 -0.423 -0.076) 0.626 7.363 ( 0.316 -0.893 0.056) 0.949 7.726 ( 10.324 -1.335 -0.062) 10.410 7.731 ( 10.410 -1.644 0.078) 10.539 8.998 ( -2.785 1.105 -0.070) 2.997 9.006 ( -2.080 0.189 0.195) 2.098 9.119 ( 4.308 1.525 -0.105) 4.571 9.132 ( 3.316 1.863 -0.187) 3.808 9.223 ( 9.263 -3.103 -0.088) 9.769 9.231 ( 8.152 -3.451 0.161) 8.853 9.496 ( 4.518 -1.044 0.334) 4.649 9.515 ( 4.506 -1.063 -0.287) 4.639 9.715 ( 6.106 -1.046 0.232) 6.199 9.725 ( 6.156 -1.075 -0.179) 6.252 10.074 ( -0.832 0.073 1.077) 1.363 10.151 ( -2.329 0.373 -2.158) 3.197 10.410 ( -10.340 1.529 0.335) 10.457 10.427 ( -10.618 1.591 -0.346) 10.742 10.742 ( -0.159 0.111 0.106) 0.221 10.749 ( -0.394 0.078 -0.122) 0.420 11.424 ( 3.754 -0.096 1.640) 4.098 11.450 ( 2.153 -0.089 0.256) 2.170 11.471 ( 1.437 -1.025 -0.149) 1.771 11.513 ( 4.151 -0.722 -1.712) 4.548 ======================= Grid point 151 (64/171) ======================= q-point: ( 0.30 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.645 ( 13.489 -0.000 12.962) 18.707 0.868 ( 17.089 -0.000 5.635) 17.994 1.129 ( 14.177 0.000 -5.930) 15.367 1.146 ( 0.444 0.000 -12.003) 12.011 1.611 ( 39.362 0.000 3.422) 39.510 1.674 ( 31.718 0.000 0.393) 31.721 2.711 ( -6.499 -0.000 2.905) 7.119 2.835 ( -0.930 -0.000 0.532) 1.072 2.864 ( -6.237 0.000 -5.833) 8.540 2.939 ( 0.767 0.000 -6.902) 6.944 3.049 ( 1.024 -0.000 3.002) 3.172 3.170 ( 0.828 0.000 -3.254) 3.358 3.327 ( -5.681 -0.000 4.783) 7.427 3.499 ( -5.415 0.000 -4.276) 6.899 3.509 ( -0.217 -0.000 5.316) 5.321 3.686 ( -0.005 0.000 -5.463) 5.463 3.784 ( -3.091 -0.000 0.954) 3.235 3.822 ( -6.285 -0.000 -0.998) 6.364 3.919 ( 2.792 0.000 0.053) 2.792 3.928 ( 3.323 0.000 -0.666) 3.389 4.244 ( -14.332 -0.000 -0.213) 14.333 4.249 ( -16.377 -0.000 -0.450) 16.383 4.513 ( -2.235 -0.000 0.933) 2.422 4.541 ( -2.240 0.000 -0.574) 2.312 4.946 ( -8.546 -0.000 0.292) 8.551 4.956 ( -8.380 -0.000 -0.279) 8.385 5.086 ( -1.934 -0.000 -0.011) 1.934 5.088 ( -2.151 -0.000 -0.097) 2.154 6.071 ( -5.422 -0.000 0.458) 5.441 6.088 ( -6.218 -0.000 -0.496) 6.238 7.351 ( 0.066 -0.000 0.150) 0.164 7.357 ( -0.203 0.000 -0.173) 0.267 7.556 ( 7.907 0.000 0.135) 7.908 7.560 ( 7.753 0.000 -0.016) 7.753 8.969 ( 3.909 0.000 0.286) 3.920 8.982 ( 4.088 0.000 -0.405) 4.108 9.059 ( 6.838 0.000 0.132) 6.839 9.066 ( 6.125 0.000 -0.306) 6.132 9.130 ( -2.018 -0.000 0.538) 2.088 9.149 ( -1.282 0.000 -0.539) 1.391 9.416 ( 3.868 0.000 0.427) 3.891 9.429 ( 3.972 0.000 -0.338) 3.987 9.606 ( 5.435 0.000 0.043) 5.435 9.609 ( 6.025 0.000 -0.137) 6.027 10.105 ( -2.259 -0.000 2.340) 3.252 10.190 ( -3.005 0.000 -2.874) 4.158 10.595 ( -9.293 -0.000 0.423) 9.303 10.613 ( -9.328 -0.000 -0.537) 9.343 10.745 ( -0.106 -0.000 0.239) 0.261 10.754 ( -0.232 0.000 -0.252) 0.343 11.359 ( 3.954 -0.000 1.406) 4.196 11.415 ( 2.012 -0.000 0.738) 2.143 11.416 ( 4.877 0.000 -1.870) 5.223 11.440 ( 1.502 0.000 -0.691) 1.653 ======================= Grid point 153 (65/171) ======================= q-point: ( 0.50 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.652 ( -0.000 16.596 8.907) 18.835 0.706 ( -0.000 5.864 18.399) 19.311 0.787 ( 0.000 15.681 -7.045) 17.191 0.986 ( 0.000 10.864 -15.586) 18.999 1.150 ( -0.000 28.835 12.069) 31.259 1.329 ( 0.000 14.723 -10.028) 17.814 2.810 ( -0.000 -0.771 1.841) 1.996 2.849 ( 0.000 -0.439 -2.362) 2.402 2.884 ( 0.000 -9.391 -0.517) 9.405 2.893 ( 0.000 -15.867 -1.966) 15.988 3.172 ( -0.000 -2.586 3.293) 4.187 3.185 ( -0.000 -3.702 1.031) 3.843 3.421 ( 0.000 -1.917 -0.085) 1.919 3.467 ( 0.000 -8.444 -4.927) 9.776 3.546 ( -0.000 -2.175 1.388) 2.580 3.583 ( 0.000 4.173 -4.083) 5.839 3.855 ( -0.000 1.353 0.244) 1.375 3.861 ( 0.000 0.021 -0.337) 0.338 3.904 ( -0.000 1.856 0.544) 1.934 3.912 ( 0.000 1.676 -0.458) 1.737 4.436 ( 0.000 -7.744 0.376) 7.753 4.449 ( 0.000 -8.349 -1.201) 8.435 4.527 ( -0.000 -3.548 1.558) 3.875 4.548 ( 0.000 -3.419 -0.985) 3.558 5.074 ( 0.000 -4.964 0.141) 4.966 5.077 ( 0.000 -4.962 -0.194) 4.966 5.082 ( 0.000 -1.574 0.140) 1.580 5.085 ( 0.000 -1.678 -0.157) 1.686 6.137 ( -0.000 -3.487 1.002) 3.628 6.154 ( 0.000 -3.486 -1.129) 3.664 7.407 ( -0.000 0.053 0.174) 0.182 7.410 ( 0.000 0.419 -0.225) 0.475 7.420 ( -0.000 5.267 0.442) 5.285 7.426 ( -0.000 5.697 -0.365) 5.709 8.925 ( -0.000 4.287 0.095) 4.288 8.929 ( -0.000 4.234 -0.334) 4.247 8.968 ( -0.000 2.318 0.512) 2.374 8.974 ( -0.000 2.019 -0.285) 2.039 9.139 ( 0.000 -2.526 -0.025) 2.526 9.140 ( 0.000 -3.171 -0.158) 3.175 9.414 ( -0.000 5.862 0.018) 5.862 9.415 ( -0.000 5.674 -0.099) 5.675 9.503 ( -0.000 1.814 0.697) 1.944 9.514 ( 0.000 1.746 -0.675) 1.872 10.190 ( -0.000 -5.463 2.381) 5.959 10.223 ( 0.000 -3.582 -2.246) 4.228 10.696 ( 0.000 -5.492 0.226) 5.497 10.700 ( 0.000 -5.395 -0.316) 5.405 10.786 ( -0.000 -0.141 0.535) 0.553 10.796 ( 0.000 -0.176 -0.623) 0.647 11.296 ( -0.000 1.684 0.843) 1.883 11.311 ( 0.000 1.863 -1.007) 2.118 11.409 ( -0.000 2.440 0.946) 2.617 11.426 ( 0.000 2.116 -1.156) 2.411 ======================= Grid point 154 (66/171) ======================= q-point: ( 0.60 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( -3.146 6.045 13.976) 15.549 0.908 ( -6.637 13.928 6.553) 16.763 0.966 ( -4.584 12.732 -8.349) 15.900 0.993 ( -0.405 6.409 -11.907) 13.528 1.644 ( -17.295 30.827 1.222) 35.368 1.717 ( -17.478 26.351 -0.004) 31.621 2.683 ( 4.308 -6.641 -0.302) 7.921 2.761 ( 0.755 -5.965 0.302) 6.020 2.825 ( 0.785 -1.480 -1.082) 1.994 2.881 ( -2.119 0.307 -2.175) 3.052 3.063 ( 3.480 -2.034 0.983) 4.149 3.197 ( 3.151 -1.827 -1.092) 3.803 3.309 ( -1.598 -3.163 0.790) 3.630 3.433 ( -0.145 -9.989 -1.240) 10.067 3.541 ( 1.372 1.677 1.797) 2.815 3.659 ( -3.315 2.162 -1.968) 4.420 3.780 ( 5.741 0.309 0.145) 5.751 3.847 ( 0.700 -2.373 0.040) 2.474 3.928 ( -1.668 3.028 -0.092) 3.458 3.965 ( -0.737 1.970 0.010) 2.103 4.233 ( 8.507 -12.247 -0.100) 14.912 4.255 ( 10.363 -14.815 0.022) 18.080 4.481 ( -0.266 -1.774 -0.235) 1.809 4.554 ( -1.176 -2.896 0.129) 3.128 4.951 ( 5.269 -7.817 0.095) 9.428 4.953 ( 5.276 -7.822 -0.112) 9.436 5.074 ( 0.338 -1.977 -0.009) 2.006 5.077 ( 0.264 -1.921 -0.007) 1.939 6.065 ( 2.948 -5.226 0.099) 6.001 6.100 ( 1.315 -4.604 -0.137) 4.790 7.397 ( 0.776 1.040 0.091) 1.301 7.403 ( 0.456 0.699 -0.098) 0.840 7.531 ( -4.344 6.964 0.250) 8.212 7.534 ( -4.307 6.757 -0.197) 8.016 8.984 ( -1.392 5.228 -0.086) 5.411 8.999 ( -1.012 3.365 0.010) 3.514 9.012 ( -1.407 0.930 -0.026) 1.686 9.016 ( -2.068 2.092 0.074) 2.942 9.103 ( -0.936 0.547 -0.056) 1.085 9.140 ( -1.880 -0.636 0.020) 1.985 9.476 ( -0.324 6.158 0.108) 6.167 9.482 ( -0.735 5.233 -0.093) 5.286 9.568 ( -4.088 3.056 0.001) 5.104 9.575 ( -4.076 3.331 -0.026) 5.264 10.140 ( 1.537 -2.231 2.612) 3.763 10.161 ( 1.582 -2.326 -2.878) 4.024 10.599 ( 3.660 -7.416 0.357) 8.278 10.603 ( 3.535 -7.258 -0.382) 8.082 10.772 ( 1.338 0.302 0.265) 1.397 10.777 ( 1.289 0.051 -0.293) 1.323 11.340 ( -2.092 2.124 0.565) 3.034 11.357 ( -2.754 2.174 -0.431) 3.535 11.448 ( -0.895 2.795 0.252) 2.945 11.456 ( -1.043 2.851 -0.535) 3.082 ======================= Grid point 155 (67/171) ======================= q-point: ( 0.70 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( -6.926 9.484 0.000) 11.744 1.080 ( -9.870 11.421 0.000) 15.095 1.199 ( -9.399 11.880 0.000) 15.148 1.262 ( -10.670 15.087 0.000) 18.479 2.255 ( -17.924 19.197 0.000) 26.264 2.291 ( -18.467 18.220 0.000) 25.942 2.653 ( -3.705 4.770 0.000) 6.040 2.780 ( -4.649 4.582 0.000) 6.527 2.801 ( 0.069 -0.272 0.000) 0.281 2.902 ( -1.543 -0.252 0.000) 1.563 2.993 ( 1.883 -3.503 -0.000) 3.977 3.116 ( 4.298 -1.104 -0.000) 4.437 3.302 ( 3.875 -7.607 -0.000) 8.537 3.305 ( -0.600 -2.880 0.000) 2.942 3.528 ( 0.322 -2.775 0.000) 2.794 3.657 ( 4.531 -1.954 -0.000) 4.934 3.716 ( 0.370 -0.529 -0.000) 0.646 3.798 ( 2.908 -2.437 -0.000) 3.794 3.847 ( 15.357 -16.224 -0.000) 22.339 3.907 ( 12.353 -13.159 -0.000) 18.048 4.012 ( -1.407 3.981 -0.000) 4.223 4.012 ( -2.690 4.745 0.000) 5.454 4.461 ( -0.030 -2.703 0.000) 2.703 4.529 ( 0.618 -2.658 0.000) 2.729 4.747 ( 6.697 -11.206 -0.000) 13.055 4.749 ( 6.545 -11.187 -0.000) 12.961 5.016 ( 5.151 -0.731 -0.000) 5.202 5.021 ( 5.029 -0.721 -0.000) 5.080 5.949 ( 3.113 -6.340 -0.000) 7.063 6.012 ( 2.549 -5.867 0.000) 6.397 7.398 ( 0.491 1.305 -0.000) 1.395 7.407 ( 0.223 0.980 -0.000) 1.005 7.709 ( -6.781 8.247 0.000) 10.677 7.709 ( -7.166 7.793 0.000) 10.587 8.955 ( 2.521 -4.520 -0.000) 5.176 8.986 ( 1.781 -4.586 0.000) 4.920 9.072 ( -2.225 5.378 -0.000) 5.821 9.100 ( -2.568 4.802 0.000) 5.446 9.226 ( -6.870 5.979 0.000) 9.108 9.237 ( -6.249 4.576 0.000) 7.745 9.548 ( -1.392 4.134 -0.000) 4.362 9.549 ( -1.223 5.313 -0.000) 5.452 9.693 ( -5.538 3.849 0.000) 6.745 9.696 ( -5.038 3.779 0.000) 6.298 10.111 ( 1.134 -0.930 -0.000) 1.467 10.113 ( 1.161 -0.849 -0.000) 1.439 10.433 ( 6.336 -7.510 -0.000) 9.825 10.440 ( 6.297 -7.178 -0.000) 9.549 10.755 ( 1.023 0.289 -0.000) 1.063 10.756 ( 0.978 -0.112 -0.000) 0.985 11.404 ( -2.639 1.614 0.000) 3.094 11.429 ( -2.946 1.575 0.000) 3.340 11.491 ( -0.976 2.320 -0.000) 2.517 11.512 ( -1.800 3.031 0.000) 3.525 ======================= Grid point 161 (68/171) ======================= q-point: ( 0.20 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( 20.212 -4.309 1.226) 20.702 1.493 ( 24.387 -6.018 -0.410) 25.122 1.601 ( 17.265 -1.089 1.229) 17.343 1.654 ( 13.717 -0.210 -1.744) 13.829 2.588 ( 2.689 0.700 -0.145) 2.783 2.664 ( 8.365 -1.998 -2.058) 8.843 2.776 ( 0.489 -0.425 -1.175) 1.341 2.784 ( 2.297 -0.810 0.060) 2.437 2.897 ( -5.830 2.783 2.499) 6.927 2.967 ( -6.281 2.177 0.408) 6.660 3.089 ( 14.607 -2.944 2.873) 15.176 3.104 ( 6.319 -2.048 2.519) 7.104 3.222 ( 5.006 -2.095 -3.351) 6.378 3.326 ( -11.097 3.922 -2.893) 12.120 3.337 ( -12.406 1.605 -0.332) 12.514 3.418 ( -15.497 1.480 -0.757) 15.586 3.498 ( -2.172 -1.944 4.463) 5.331 3.632 ( -1.949 3.645 2.002) 4.592 3.669 ( -6.044 -3.265 -1.617) 7.057 3.773 ( -0.101 0.056 -1.623) 1.627 4.117 ( 8.137 -1.052 0.142) 8.206 4.125 ( 8.356 0.453 -0.203) 8.371 4.427 ( -3.134 -1.859 1.052) 3.792 4.460 ( -2.737 -1.615 -0.723) 3.259 4.523 ( -14.809 -0.733 0.224) 14.829 4.535 ( -14.558 -0.495 -0.172) 14.568 4.854 ( -5.423 12.892 0.437) 13.993 4.870 ( -5.051 12.383 -0.461) 13.381 5.835 ( -6.835 -3.732 -0.165) 7.789 5.856 ( -7.479 -4.434 0.275) 8.698 7.373 ( 0.796 -0.397 -0.137) 0.900 7.382 ( 0.763 -0.718 0.128) 1.056 7.928 ( 10.368 -1.598 -0.213) 10.492 7.942 ( 10.635 -2.079 0.179) 10.838 8.897 ( -5.941 1.560 0.113) 6.143 8.915 ( -6.427 0.948 -0.039) 6.497 9.185 ( 4.701 1.967 -0.131) 5.098 9.199 ( 4.543 1.244 0.006) 4.710 9.429 ( 9.399 -4.195 0.084) 10.293 9.435 ( 9.909 -4.206 0.026) 10.765 9.584 ( 4.112 -0.694 0.365) 4.186 9.597 ( 3.974 -0.437 -0.335) 4.012 9.829 ( 4.986 -1.382 0.193) 5.177 9.837 ( 4.791 -1.541 -0.064) 5.033 10.060 ( -1.260 0.404 0.982) 1.648 10.101 ( -2.257 0.764 -1.357) 2.742 10.213 ( -9.690 1.789 0.249) 9.857 10.222 ( -9.937 2.018 -0.233) 10.143 10.737 ( -0.187 0.243 -0.023) 0.307 10.741 ( -0.346 0.166 0.014) 0.384 11.481 ( 1.644 0.104 -0.013) 1.647 11.486 ( 1.821 -0.264 1.149) 2.169 11.513 ( 1.864 -1.125 0.828) 2.329 11.573 ( 2.692 -0.474 -1.694) 3.215 ======================= Grid point 162 (69/171) ======================= q-point: ( 0.30 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( 21.728 -3.886 4.206) 22.470 1.117 ( 13.031 -2.145 -2.636) 13.467 1.294 ( 17.001 -0.119 1.640) 17.081 1.376 ( 15.716 -0.197 -4.023) 16.224 2.267 ( 28.558 -5.606 0.978) 29.119 2.312 ( 31.005 -7.187 -1.481) 31.861 2.671 ( 2.204 0.082 2.954) 3.686 2.771 ( -1.213 -0.121 -4.435) 4.599 2.836 ( 1.798 0.642 2.374) 3.047 2.958 ( 3.332 -1.847 -5.758) 6.904 3.034 ( -3.018 2.513 3.741) 5.424 3.122 ( -3.825 2.616 -3.367) 5.728 3.248 ( -4.304 0.159 4.476) 6.212 3.382 ( -4.801 0.405 -5.711) 7.471 3.528 ( -1.492 -0.403 5.817) 6.019 3.639 ( -6.951 -1.208 -2.569) 7.509 3.679 ( -3.355 2.529 0.151) 4.204 3.726 ( -8.576 -0.928 0.198) 8.628 3.894 ( -17.558 4.094 0.587) 18.039 3.929 ( -15.663 4.387 -1.463) 16.331 3.992 ( 5.259 -0.417 0.130) 5.277 4.010 ( 4.377 0.383 -0.557) 4.429 4.472 ( -2.824 -0.545 0.824) 2.992 4.497 ( -3.060 -0.948 -0.565) 3.253 4.760 ( -12.183 0.171 0.393) 12.191 4.770 ( -12.089 0.262 -0.375) 12.097 5.021 ( -3.327 4.816 0.112) 5.854 5.024 ( -3.019 4.625 -0.177) 5.526 5.948 ( -7.580 0.206 -0.159) 7.585 5.968 ( -7.927 -1.629 0.216) 8.096 7.357 ( 0.415 -0.384 -0.054) 0.568 7.363 ( 0.357 -0.937 0.038) 1.003 7.725 ( 10.290 -1.247 -0.041) 10.366 7.731 ( 10.407 -1.724 0.052) 10.548 8.998 ( -2.714 1.189 -0.035) 2.963 9.007 ( -2.098 0.137 0.137) 2.107 9.118 ( 4.067 1.821 -0.079) 4.457 9.130 ( 3.559 1.470 -0.159) 3.854 9.223 ( 9.319 -3.076 -0.049) 9.814 9.232 ( 8.106 -3.451 0.108) 8.811 9.499 ( 4.576 -0.933 0.371) 4.685 9.512 ( 4.452 -1.135 -0.334) 4.606 9.717 ( 6.144 -1.048 0.282) 6.239 9.724 ( 6.183 -1.069 -0.239) 6.279 10.084 ( -1.046 0.143 1.533) 1.861 10.133 ( -1.966 0.328 -2.400) 3.120 10.413 ( -10.370 1.540 0.430) 10.492 10.424 ( -10.549 1.580 -0.445) 10.676 10.743 ( -0.199 0.160 0.118) 0.281 10.748 ( -0.354 0.027 -0.131) 0.378 11.437 ( 3.824 0.187 1.732) 4.202 11.453 ( 2.061 -0.086 0.472) 2.116 11.470 ( 1.693 -1.192 -0.110) 2.073 11.498 ( 4.080 -0.837 -2.069) 4.651 ======================= Grid point 163 (70/171) ======================= q-point: ( 0.40 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( 8.824 -0.000 14.563) 17.028 0.903 ( 11.935 0.000 1.839) 12.076 1.056 ( 7.221 0.000 -9.314) 11.785 1.080 ( 15.314 0.000 -6.430) 16.609 1.638 ( 37.130 0.000 3.168) 37.265 1.672 ( 32.860 0.000 -0.936) 32.874 2.738 ( -7.403 -0.000 3.970) 8.400 2.817 ( -7.571 0.000 -5.981) 9.649 2.842 ( -0.412 -0.000 1.431) 1.489 2.891 ( 1.272 0.000 -5.252) 5.404 3.076 ( 1.179 -0.000 3.921) 4.094 3.141 ( 0.927 0.000 -4.075) 4.180 3.371 ( -6.555 -0.000 6.139) 8.981 3.462 ( -6.443 0.000 -5.154) 8.250 3.550 ( 1.365 -0.000 5.288) 5.462 3.640 ( 1.371 0.000 -6.145) 6.296 3.793 ( -3.660 -0.000 1.210) 3.855 3.813 ( -5.335 0.000 -1.278) 5.486 3.920 ( 2.917 0.000 0.125) 2.920 3.924 ( 3.242 0.000 -0.441) 3.272 4.243 ( -14.825 -0.000 -0.037) 14.826 4.245 ( -15.913 -0.000 -0.364) 15.917 4.520 ( -2.257 -0.000 1.023) 2.478 4.535 ( -2.264 0.000 -0.817) 2.407 4.948 ( -8.504 -0.000 0.341) 8.511 4.954 ( -8.418 -0.000 -0.334) 8.425 5.086 ( -1.983 -0.000 0.019) 1.983 5.087 ( -2.097 -0.000 -0.086) 2.099 6.075 ( -5.583 -0.000 0.554) 5.611 6.084 ( -6.004 -0.000 -0.582) 6.033 7.352 ( 0.001 -0.000 0.183) 0.183 7.355 ( -0.140 0.000 -0.197) 0.242 7.558 ( 7.865 0.000 0.151) 7.867 7.560 ( 7.775 0.000 -0.085) 7.776 8.972 ( 3.980 0.000 0.372) 3.997 8.978 ( 4.074 0.000 -0.444) 4.098 9.060 ( 6.589 0.000 0.176) 6.592 9.064 ( 6.194 0.000 -0.280) 6.200 9.134 ( -1.744 -0.000 0.604) 1.845 9.144 ( -1.380 0.000 -0.607) 1.507 9.419 ( 3.893 0.000 0.456) 3.920 9.426 ( 3.954 0.000 -0.409) 3.975 9.606 ( 5.593 0.000 0.076) 5.593 9.608 ( 5.904 0.000 -0.134) 5.906 10.124 ( -2.756 -0.000 2.558) 3.761 10.167 ( -2.995 0.000 -2.947) 4.202 10.599 ( -9.282 -0.000 0.528) 9.297 10.608 ( -9.298 -0.000 -0.604) 9.317 10.747 ( -0.137 -0.000 0.284) 0.316 10.752 ( -0.203 0.000 -0.293) 0.356 11.372 ( 4.260 -0.000 1.713) 4.592 11.401 ( 4.771 0.000 -1.991) 5.170 11.421 ( 1.876 -0.000 0.852) 2.060 11.434 ( 1.600 0.000 -0.830) 1.803 ======================= Grid point 165 (71/171) ======================= q-point: (-0.40 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( 0.000 14.674 -8.359) 16.888 0.720 ( -0.000 14.674 8.359) 16.888 0.855 ( 0.000 8.610 -17.745) 19.724 0.855 ( -0.000 8.610 17.745) 19.724 1.243 ( 0.000 22.374 -11.628) 25.215 1.243 ( -0.000 22.374 11.628) 25.215 2.829 ( 0.000 0.289 -2.659) 2.675 2.829 ( -0.000 0.289 2.659) 2.675 2.883 ( 0.000 -13.870 -0.171) 13.871 2.883 ( 0.000 -13.870 0.171) 13.871 3.188 ( -0.000 -3.794 -0.186) 3.799 3.188 ( 0.000 -3.794 0.186) 3.799 3.433 ( -0.000 -4.151 -2.078) 4.642 3.433 ( 0.000 -4.151 2.078) 4.642 3.559 ( 0.000 0.713 -2.116) 2.233 3.559 ( -0.000 0.713 2.116) 2.233 3.858 ( 0.000 0.772 -0.219) 0.803 3.858 ( 0.000 0.772 0.219) 0.803 3.908 ( 0.000 1.893 -0.315) 1.919 3.908 ( 0.000 1.893 0.315) 1.919 4.441 ( 0.000 -7.946 -0.505) 7.962 4.441 ( 0.000 -7.946 0.505) 7.962 4.539 ( 0.000 -3.599 -0.866) 3.701 4.539 ( 0.000 -3.599 0.866) 3.701 5.075 ( 0.000 -4.962 -0.149) 4.964 5.075 ( 0.000 -4.962 0.149) 4.964 5.084 ( 0.000 -1.627 -0.121) 1.631 5.084 ( 0.000 -1.627 0.121) 1.631 6.145 ( 0.000 -3.479 -1.092) 3.646 6.145 ( -0.000 -3.479 1.092) 3.646 7.408 ( 0.000 0.159 -0.112) 0.194 7.408 ( 0.000 0.159 0.112) 0.194 7.423 ( -0.000 5.578 -0.363) 5.590 7.423 ( -0.000 5.578 0.363) 5.590 8.927 ( -0.000 4.259 -0.176) 4.262 8.927 ( -0.000 4.259 0.176) 4.262 8.972 ( -0.000 2.181 -0.407) 2.218 8.972 ( -0.000 2.181 0.407) 2.218 9.140 ( 0.000 -2.845 -0.013) 2.845 9.140 ( 0.000 -2.845 0.013) 2.845 9.414 ( -0.000 5.782 -0.018) 5.782 9.414 ( -0.000 5.782 0.018) 5.782 9.508 ( 0.000 1.777 -0.715) 1.915 9.508 ( -0.000 1.777 0.715) 1.915 10.206 ( 0.000 -4.495 -2.056) 4.943 10.206 ( -0.000 -4.495 2.056) 4.943 10.698 ( 0.000 -5.431 -0.286) 5.439 10.698 ( 0.000 -5.431 0.286) 5.439 10.791 ( 0.000 -0.158 -0.599) 0.619 10.791 ( -0.000 -0.158 0.599) 0.619 11.303 ( 0.000 1.805 -0.951) 2.040 11.303 ( -0.000 1.805 0.951) 2.040 11.417 ( 0.000 2.241 -1.133) 2.511 11.417 ( -0.000 2.241 1.133) 2.511 ======================= Grid point 172 (72/171) ======================= q-point: ( 0.20 0.60 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( 11.018 1.298 0.882) 11.130 1.828 ( 6.198 2.728 -0.024) 6.772 1.871 ( 14.836 -1.405 -0.003) 14.902 1.954 ( 15.208 -3.327 -0.360) 15.572 2.596 ( -0.250 1.802 1.943) 2.662 2.685 ( -1.227 0.642 -1.178) 1.818 2.751 ( -5.565 0.429 0.933) 5.659 2.799 ( -4.602 1.616 0.708) 4.929 2.832 ( -3.859 3.139 -0.417) 4.992 2.850 ( 0.958 -0.315 -1.255) 1.610 2.889 ( -4.726 2.609 0.785) 5.456 2.979 ( -11.651 3.183 -1.190) 12.136 3.035 ( -8.153 2.543 2.075) 8.789 3.295 ( -2.250 -2.833 -1.079) 3.775 3.350 ( 2.604 0.815 1.646) 3.187 3.511 ( 0.815 -2.791 -0.937) 3.055 3.570 ( 2.177 -4.466 0.783) 5.030 3.592 ( -2.545 -1.600 0.494) 3.047 3.788 ( 13.662 -11.360 0.274) 17.771 3.895 ( 8.167 -9.706 -0.733) 12.706 4.218 ( -15.145 0.926 -0.230) 15.175 4.273 ( -4.476 1.467 0.261) 4.717 4.298 ( 1.617 -0.951 0.388) 1.916 4.320 ( 7.919 0.218 -0.053) 7.922 4.409 ( -1.760 -2.689 1.049) 3.381 4.439 ( -1.360 -2.017 -0.943) 2.609 4.603 ( -3.598 17.481 0.617) 17.859 4.619 ( -3.885 17.667 -0.618) 18.099 5.789 ( -4.661 -6.834 0.349) 8.280 5.803 ( -5.080 -7.081 -0.255) 8.719 7.390 ( 0.883 0.080 -0.120) 0.895 7.402 ( 0.873 -0.095 0.120) 0.886 8.088 ( 6.289 1.031 -0.209) 6.376 8.112 ( 6.390 0.726 0.196) 6.434 8.787 ( -5.138 -0.783 0.164) 5.200 8.798 ( -5.685 -1.228 -0.122) 5.817 9.229 ( 2.832 2.854 0.093) 4.021 9.246 ( 2.549 2.296 -0.138) 3.433 9.605 ( 4.863 -2.122 0.036) 5.306 9.616 ( 4.592 -1.709 0.125) 4.902 9.659 ( 3.346 0.462 0.025) 3.378 9.661 ( 4.095 -0.220 -0.069) 4.101 9.904 ( 1.555 -1.377 -0.066) 2.078 9.915 ( 2.175 -1.859 0.132) 2.864 9.998 ( -4.983 2.148 0.169) 5.429 10.013 ( -4.323 2.351 0.153) 4.923 10.081 ( -3.043 -0.437 -0.130) 3.077 10.101 ( -1.813 -0.442 0.060) 1.867 10.732 ( -0.070 0.154 -0.024) 0.171 10.735 ( -0.100 0.163 0.020) 0.192 11.494 ( 0.142 0.076 -0.430) 0.459 11.512 ( 0.361 -0.115 0.685) 0.783 11.553 ( 1.400 0.165 0.963) 1.707 11.605 ( 1.208 -0.074 -0.989) 1.563 ======================= Grid point 173 (73/171) ======================= q-point: ( 0.30 0.60 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( 21.645 -4.391 0.899) 22.104 1.490 ( 22.994 -5.733 -0.365) 23.700 1.612 ( 16.710 -0.936 1.510) 16.804 1.640 ( 14.627 -0.456 -1.859) 14.752 2.587 ( 4.710 1.056 -0.099) 4.828 2.652 ( 6.506 -1.696 -1.147) 6.820 2.769 ( 1.130 -0.639 -0.567) 1.417 2.785 ( 2.881 -1.345 -0.019) 3.180 2.914 ( -6.675 3.081 1.704) 7.547 2.967 ( -5.799 3.281 -0.313) 6.670 3.111 ( 19.264 -5.751 2.718) 20.287 3.123 ( 2.310 -0.775 2.014) 3.161 3.198 ( 5.951 -2.245 -2.608) 6.874 3.302 ( -5.278 0.947 -2.741) 6.022 3.339 ( -19.269 5.603 0.470) 20.073 3.413 ( -15.371 1.045 -0.602) 15.418 3.528 ( -2.394 -1.547 2.924) 4.084 3.645 ( -0.221 3.698 1.039) 3.848 3.657 ( -7.000 -2.476 -1.020) 7.494 3.761 ( -0.522 -0.847 -1.213) 1.569 4.119 ( 8.426 -0.647 0.159) 8.453 4.123 ( 8.137 -0.038 -0.198) 8.140 4.436 ( -2.938 -1.720 1.147) 3.592 4.453 ( -2.847 -1.673 -0.946) 3.435 4.525 ( -15.002 -0.556 0.163) 15.013 4.534 ( -14.356 -0.643 -0.129) 14.371 4.858 ( -5.332 12.759 0.519) 13.838 4.866 ( -5.130 12.507 -0.534) 13.529 5.834 ( -6.660 -3.603 -0.087) 7.572 5.858 ( -7.632 -4.535 0.154) 8.879 7.372 ( 0.796 -0.378 -0.073) 0.884 7.383 ( 0.766 -0.739 0.067) 1.067 7.927 ( 10.346 -1.561 -0.114) 10.464 7.943 ( 10.657 -2.113 0.093) 10.865 8.898 ( -5.874 1.621 0.073) 6.094 8.915 ( -6.497 0.906 -0.028) 6.560 9.184 ( 4.797 1.970 -0.078) 5.186 9.199 ( 4.465 1.215 0.001) 4.627 9.430 ( 9.364 -4.128 0.053) 10.233 9.435 ( 9.962 -4.276 0.015) 10.841 9.588 ( 4.133 -0.618 0.408) 4.199 9.595 ( 3.964 -0.490 -0.389) 4.013 9.831 ( 4.900 -1.325 0.148) 5.078 9.837 ( 4.896 -1.563 -0.068) 5.140 10.068 ( -1.347 0.485 1.247) 1.898 10.090 ( -1.858 0.670 -1.478) 2.467 10.215 ( -9.790 1.866 0.287) 9.970 10.220 ( -9.852 1.979 -0.277) 10.053 10.737 ( -0.215 0.253 -0.014) 0.332 10.741 ( -0.317 0.155 0.008) 0.353 11.480 ( 1.360 0.065 -0.126) 1.368 11.495 ( 1.544 -0.401 0.840) 1.802 11.521 ( 2.407 -0.602 1.162) 2.739 11.559 ( 2.776 -0.777 -1.710) 3.351 ======================= Grid point 174 (74/171) ======================= q-point: ( 0.40 0.60 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( 18.430 -3.176 4.634) 19.268 1.090 ( 15.307 -2.695 -4.190) 16.097 1.314 ( 17.346 -0.230 3.365) 17.671 1.343 ( 16.631 -0.228 -4.105) 17.131 2.274 ( 29.066 -5.221 0.672) 29.539 2.302 ( 28.989 -7.105 -0.885) 29.860 2.692 ( 2.302 1.045 2.166) 3.329 2.742 ( -0.191 -1.356 -2.727) 3.051 2.861 ( 3.481 0.503 3.514) 4.972 2.913 ( 3.441 -1.759 -4.882) 6.226 3.064 ( -3.325 2.550 3.915) 5.735 3.094 ( -3.488 2.589 -3.708) 5.711 3.288 ( -5.191 0.376 5.559) 7.615 3.336 ( -4.406 0.117 -5.859) 7.332 3.566 ( -1.945 0.218 3.566) 4.068 3.618 ( -5.236 -2.125 -2.450) 6.159 3.680 ( -3.340 2.662 0.044) 4.271 3.727 ( -9.144 -0.860 0.050) 9.185 3.898 ( -17.004 5.134 0.531) 17.770 3.919 ( -16.448 3.564 -0.859) 16.852 3.993 ( 5.457 0.001 0.081) 5.457 4.006 ( 4.251 -0.174 -0.241) 4.262 4.478 ( -2.525 -0.159 0.490) 2.577 4.493 ( -3.326 -1.278 -0.393) 3.584 4.763 ( -12.147 0.203 0.428) 12.156 4.767 ( -12.116 0.235 -0.421) 12.126 5.022 ( -3.222 4.758 0.143) 5.748 5.023 ( -3.115 4.676 -0.168) 5.621 5.947 ( -7.586 0.312 -0.054) 7.593 5.969 ( -7.893 -1.723 0.075) 8.080 7.357 ( 0.396 -0.363 -0.019) 0.538 7.364 ( 0.378 -0.961 0.013) 1.032 7.725 ( 10.270 -1.200 -0.014) 10.340 7.732 ( 10.405 -1.765 0.018) 10.553 8.998 ( -2.683 1.239 -0.010) 2.955 9.008 ( -2.095 0.108 0.049) 2.098 9.117 ( 3.896 2.026 -0.028) 4.391 9.129 ( 3.731 1.206 -0.063) 3.922 9.222 ( 9.352 -3.056 -0.015) 9.839 9.232 ( 8.080 -3.454 0.038) 8.787 9.502 ( 4.668 -0.778 0.221) 4.738 9.510 ( 4.362 -1.268 -0.207) 4.547 9.719 ( 6.164 -1.047 0.291) 6.259 9.722 ( 6.202 -1.069 -0.275) 6.300 10.098 ( -1.305 0.212 1.967) 2.371 10.115 ( -1.614 0.274 -2.297) 2.821 10.416 ( -10.416 1.554 0.486) 10.542 10.420 ( -10.478 1.566 -0.493) 10.606 10.744 ( -0.237 0.227 0.065) 0.334 10.747 ( -0.315 -0.040 -0.070) 0.325 11.447 ( 3.092 0.707 0.535) 3.217 11.459 ( 2.523 -0.169 1.069) 2.746 11.470 ( 2.316 -1.240 0.298) 2.644 11.482 ( 3.827 -1.224 -1.895) 4.443 ======================= Grid point 175 (75/171) ======================= q-point: (-0.50 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( 5.729 0.000 -11.798) 13.115 0.862 ( 5.729 -0.000 11.798) 13.115 1.036 ( 15.541 0.000 -3.433) 15.916 1.036 ( 15.541 -0.000 3.433) 15.916 1.659 ( 34.823 0.000 -1.633) 34.862 1.659 ( 34.823 0.000 1.633) 34.862 2.773 ( -7.861 0.000 -4.704) 9.161 2.773 ( -7.861 -0.000 4.704) 9.161 2.859 ( 0.593 0.000 -2.836) 2.897 2.859 ( 0.593 -0.000 2.836) 2.897 3.108 ( 1.099 0.000 -4.223) 4.364 3.108 ( 1.099 -0.000 4.223) 4.364 3.419 ( -6.924 0.000 -5.567) 8.884 3.419 ( -6.924 -0.000 5.567) 8.884 3.593 ( 2.004 0.000 -5.484) 5.839 3.593 ( 2.004 -0.000 5.484) 5.839 3.803 ( -4.420 0.000 -0.517) 4.450 3.803 ( -4.420 -0.000 0.517) 4.450 3.921 ( 3.078 0.000 -0.201) 3.085 3.921 ( 3.078 0.000 0.201) 3.085 4.243 ( -15.374 -0.000 -0.179) 15.376 4.243 ( -15.374 -0.000 0.179) 15.376 4.528 ( -2.268 0.000 -0.614) 2.349 4.528 ( -2.268 -0.000 0.614) 2.349 4.951 ( -8.460 -0.000 -0.354) 8.468 4.951 ( -8.460 -0.000 0.354) 8.468 5.086 ( -2.039 -0.000 -0.056) 2.040 5.086 ( -2.039 -0.000 0.056) 2.040 6.079 ( -5.783 -0.000 -0.362) 5.795 6.079 ( -5.783 -0.000 0.362) 5.795 7.354 ( -0.070 0.000 -0.128) 0.146 7.354 ( -0.070 -0.000 0.128) 0.146 7.559 ( 7.818 0.000 -0.083) 7.818 7.559 ( 7.818 0.000 0.083) 7.818 8.975 ( 4.037 0.000 -0.343) 4.052 8.975 ( 4.037 0.000 0.343) 4.052 9.062 ( 6.361 0.000 -0.096) 6.361 9.062 ( 6.361 0.000 0.096) 6.361 9.139 ( -1.531 0.000 -0.247) 1.551 9.139 ( -1.531 0.000 0.247) 1.551 9.423 ( 3.926 0.000 -0.299) 3.937 9.423 ( 3.926 0.000 0.299) 3.937 9.607 ( 5.755 0.000 -0.099) 5.756 9.607 ( 5.755 0.000 0.099) 5.756 10.144 ( -2.954 0.000 -2.776) 4.053 10.144 ( -2.954 -0.000 2.776) 4.053 10.604 ( -9.282 -0.000 -0.594) 9.301 10.604 ( -9.282 -0.000 0.594) 9.301 10.750 ( -0.171 0.000 -0.255) 0.307 10.750 ( -0.171 -0.000 0.255) 0.307 11.386 ( 4.551 0.000 -1.866) 4.918 11.386 ( 4.551 -0.000 1.866) 4.918 11.428 ( 1.733 0.000 -0.883) 1.945 11.428 ( 1.733 -0.000 0.883) 1.945 ======================= Grid point 183 (76/171) ======================= q-point: ( 0.20 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.753 ( -7.274 9.615 -0.035) 12.057 1.814 ( -8.859 10.108 1.506) 13.525 1.834 ( -6.901 9.738 -0.953) 11.973 1.924 ( -12.849 11.473 -0.267) 17.228 2.603 ( 1.151 0.762 2.004) 2.434 2.682 ( 0.475 -1.760 -0.356) 1.858 2.749 ( 4.732 -5.949 1.037) 7.672 2.790 ( -0.327 0.175 -0.693) 0.786 2.823 ( 5.312 -1.955 0.379) 5.673 2.867 ( 3.539 -3.092 0.231) 4.706 2.915 ( -2.468 2.283 0.626) 3.420 2.976 ( 9.337 -4.998 -0.504) 10.602 3.027 ( 10.999 -9.957 -1.315) 14.895 3.301 ( -0.868 -3.226 -0.133) 3.344 3.354 ( -0.494 1.357 0.985) 1.748 3.470 ( -6.392 -1.505 -0.881) 6.625 3.587 ( 0.214 -1.236 0.758) 1.465 3.628 ( 0.474 -0.158 0.164) 0.526 3.767 ( -21.268 6.068 0.247) 22.118 3.919 ( -9.120 1.232 -0.232) 9.206 4.211 ( 6.231 -10.968 -0.089) 12.615 4.245 ( 5.926 -9.233 0.161) 10.972 4.282 ( -4.024 6.898 -0.104) 7.986 4.321 ( -3.156 7.223 0.173) 7.884 4.428 ( -1.041 -2.908 0.916) 3.221 4.444 ( -0.011 -2.623 -0.845) 2.756 4.606 ( 16.898 5.072 -0.210) 17.644 4.638 ( 16.996 4.617 0.204) 17.613 5.802 ( -2.577 -7.889 0.712) 8.329 5.817 ( -1.631 -7.630 -0.654) 7.830 7.400 ( 0.686 0.685 -0.076) 0.972 7.414 ( 0.723 0.628 0.081) 0.961 8.088 ( -2.281 6.043 -0.070) 6.460 8.108 ( -3.071 6.182 0.072) 6.903 8.770 ( 0.079 -4.831 0.121) 4.833 8.783 ( 0.252 -5.565 -0.094) 5.572 9.224 ( 0.475 3.968 0.232) 4.003 9.239 ( 0.044 3.497 -0.225) 3.505 9.609 ( -6.325 3.689 0.038) 7.322 9.619 ( -6.630 4.323 -0.084) 7.916 9.640 ( 0.118 1.748 0.160) 1.760 9.651 ( 0.598 2.122 -0.095) 2.206 9.908 ( -3.197 1.942 0.146) 3.743 9.922 ( -2.285 1.532 -0.050) 2.752 10.008 ( 4.210 -2.125 0.012) 4.716 10.014 ( 5.623 -4.312 0.029) 7.086 10.090 ( 2.542 -3.315 -0.055) 4.178 10.120 ( 2.060 -2.031 0.359) 2.915 10.732 ( 0.221 0.033 0.000) 0.224 10.735 ( 0.259 0.034 -0.002) 0.261 11.481 ( -1.122 0.596 -0.458) 1.350 11.506 ( -1.069 0.322 0.245) 1.143 11.563 ( 0.357 1.409 0.323) 1.489 11.610 ( -0.186 0.496 -0.024) 0.530 ======================= Grid point 184 (77/171) ======================= q-point: ( 0.30 0.70 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( 10.179 1.916 0.342) 10.364 1.828 ( 6.469 2.611 -0.009) 6.976 1.871 ( 15.807 -1.744 0.010) 15.903 1.952 ( 14.811 -3.357 -0.156) 15.187 2.608 ( 0.455 2.407 0.847) 2.592 2.677 ( -1.178 0.233 -0.546) 1.319 2.757 ( -5.541 0.297 0.480) 5.569 2.803 ( -4.225 2.026 0.294) 4.695 2.829 ( -4.057 3.045 -0.165) 5.075 2.841 ( 2.510 -0.811 -0.734) 2.738 2.896 ( -6.501 3.815 0.605) 7.562 2.971 ( -12.541 2.578 -0.685) 12.821 3.047 ( -7.870 2.555 0.863) 8.319 3.289 ( -1.766 -2.837 -0.462) 3.373 3.360 ( 3.021 1.035 0.667) 3.262 3.506 ( 0.732 -2.936 -0.362) 3.048 3.575 ( 1.859 -4.142 0.353) 4.554 3.594 ( -2.700 -1.974 0.104) 3.346 3.790 ( 13.611 -10.318 0.132) 17.080 3.891 ( 8.528 -10.584 -0.302) 13.596 4.217 ( -15.773 0.837 -0.074) 15.795 4.274 ( -2.130 1.702 0.074) 2.727 4.301 ( -1.175 -1.346 0.177) 1.795 4.319 ( 8.977 0.487 -0.038) 8.990 4.417 ( -1.968 -2.714 0.786) 3.443 4.431 ( -1.193 -1.931 -0.745) 2.389 4.608 ( -3.711 17.518 0.689) 17.920 4.614 ( -3.752 17.647 -0.690) 18.055 5.791 ( -4.259 -6.697 0.176) 7.938 5.801 ( -5.472 -7.195 -0.140) 9.041 7.389 ( 0.882 0.078 -0.042) 0.887 7.403 ( 0.876 -0.094 0.041) 0.882 8.087 ( 6.290 1.019 -0.074) 6.373 8.113 ( 6.396 0.738 0.068) 6.438 8.788 ( -5.096 -0.742 0.072) 5.150 8.798 ( -5.727 -1.262 -0.057) 5.864 9.229 ( 2.911 2.880 0.039) 4.095 9.245 ( 2.479 2.257 -0.057) 3.354 9.605 ( 5.011 -2.216 0.016) 5.479 9.616 ( 4.418 -1.548 0.046) 4.681 9.660 ( 3.572 0.250 0.055) 3.581 9.660 ( 3.891 -0.048 -0.071) 3.892 9.903 ( 1.571 -1.341 -0.021) 2.066 9.916 ( 2.178 -1.866 0.046) 2.869 9.999 ( -5.338 2.222 0.063) 5.782 10.014 ( -4.005 2.369 0.061) 4.654 10.081 ( -3.019 -0.484 -0.047) 3.058 10.102 ( -1.656 -0.436 0.020) 1.713 10.732 ( -0.051 0.164 -0.008) 0.172 10.735 ( -0.118 0.153 0.007) 0.193 11.492 ( 0.104 0.139 -0.151) 0.230 11.516 ( 0.163 -0.266 0.279) 0.419 11.559 ( 1.489 0.723 0.443) 1.713 11.598 ( 1.362 -0.489 -0.484) 1.526 ======================= Grid point 185 (78/171) ======================= q-point: (-0.60 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( 22.528 -4.419 -0.000) 22.958 1.488 ( 22.134 -5.641 -0.000) 22.841 1.623 ( 16.274 -0.575 -0.000) 16.284 1.628 ( 15.189 -0.840 -0.000) 15.212 2.587 ( 5.587 1.211 -0.000) 5.717 2.647 ( 5.758 -1.629 -0.000) 5.984 2.767 ( 1.363 -0.711 -0.000) 1.537 2.784 ( 3.054 -1.514 -0.000) 3.409 2.921 ( -7.208 3.147 0.000) 7.865 2.965 ( -5.340 3.670 0.000) 6.480 3.125 ( 17.700 -5.064 -0.000) 18.410 3.130 ( 6.815 -3.152 -0.000) 7.509 3.187 ( 2.971 -0.882 -0.000) 3.099 3.290 ( -4.168 0.449 0.000) 4.193 3.341 ( -20.238 6.305 0.000) 21.198 3.410 ( -15.257 0.803 0.000) 15.278 3.540 ( -2.526 -1.310 0.000) 2.846 3.647 ( -0.738 -0.488 0.000) 0.885 3.656 ( -6.123 2.111 0.000) 6.477 3.756 ( -0.724 -1.346 0.000) 1.528 4.119 ( 8.723 -0.296 -0.000) 8.728 4.123 ( 7.867 -0.422 -0.000) 7.878 4.444 ( -2.242 -1.305 0.000) 2.594 4.446 ( -3.513 -2.057 0.000) 4.071 4.525 ( -15.126 -0.457 0.000) 15.133 4.534 ( -14.225 -0.732 0.000) 14.244 4.861 ( -5.255 12.573 -0.000) 13.627 4.863 ( -5.203 12.690 -0.000) 13.715 5.833 ( -6.601 -3.558 0.000) 7.499 5.859 ( -7.683 -4.568 0.000) 8.939 7.372 ( 0.796 -0.371 -0.000) 0.878 7.383 ( 0.767 -0.747 -0.000) 1.070 7.927 ( 10.338 -1.549 -0.000) 10.454 7.943 ( 10.665 -2.124 -0.000) 10.874 8.898 ( -5.846 1.647 0.000) 6.074 8.915 ( -6.526 0.888 0.000) 6.586 9.184 ( 4.831 1.971 -0.000) 5.218 9.199 ( 4.438 1.203 -0.000) 4.598 9.430 ( 9.348 -4.099 -0.000) 10.207 9.435 ( 9.984 -4.306 -0.000) 10.873 9.590 ( 4.289 -0.543 -0.000) 4.323 9.592 ( 3.813 -0.556 -0.000) 3.854 9.831 ( 4.846 -1.288 -0.000) 5.014 9.836 ( 4.958 -1.586 -0.000) 5.206 10.079 ( -1.588 0.569 0.000) 1.687 10.079 ( -1.498 0.581 0.000) 1.607 10.217 ( -9.980 1.932 0.000) 10.166 10.218 ( -9.665 1.928 0.000) 9.855 10.737 ( -0.224 0.256 0.000) 0.340 10.741 ( -0.307 0.151 0.000) 0.342 11.480 ( 1.325 0.084 -0.000) 1.328 11.498 ( 1.330 -0.590 -0.000) 1.455 11.528 ( 2.641 0.036 -0.000) 2.641 11.551 ( 2.816 -1.228 -0.000) 3.072 ======================= Grid point 194 (79/171) ======================= q-point: ( 0.20 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( -12.622 13.026 0.868) 18.159 1.446 ( -18.548 16.502 -0.350) 24.829 1.462 ( -13.983 11.724 -0.669) 18.260 1.640 ( -8.380 10.831 0.473) 13.703 2.608 ( -0.043 0.405 1.377) 1.436 2.680 ( -6.555 4.007 3.502) 8.444 2.709 ( -5.427 3.313 -3.670) 7.341 2.845 ( 2.196 -0.159 0.891) 2.375 2.859 ( 1.674 -2.006 -0.148) 2.617 2.979 ( 4.185 -1.510 0.575) 4.486 2.987 ( 4.141 -3.646 -1.990) 5.865 3.081 ( -17.980 16.436 -0.408) 24.364 3.316 ( -6.562 0.797 2.523) 7.075 3.353 ( 12.014 -8.619 -0.984) 14.818 3.378 ( 4.340 -6.536 0.529) 7.863 3.415 ( 7.633 -8.941 1.017) 11.800 3.428 ( 6.419 -7.781 -2.024) 10.288 3.634 ( 3.906 -0.883 -0.009) 4.005 3.709 ( 0.649 -5.705 0.167) 5.744 3.793 ( -0.737 2.150 0.058) 2.274 4.112 ( -4.791 5.464 -0.016) 7.267 4.139 ( -2.835 8.215 0.068) 8.691 4.452 ( 0.214 -3.936 0.617) 3.990 4.463 ( 2.522 -4.049 -0.448) 4.791 4.507 ( 5.637 -12.143 0.303) 13.391 4.511 ( 6.023 -12.353 -0.390) 13.749 4.855 ( 12.904 1.017 -0.073) 12.944 4.879 ( 12.191 1.425 0.074) 12.274 5.863 ( 0.448 -7.478 0.406) 7.503 5.889 ( 1.553 -6.947 -0.387) 7.129 7.400 ( 0.428 1.110 -0.035) 1.191 7.416 ( 0.468 1.099 0.038) 1.195 7.922 ( -7.075 8.257 0.013) 10.873 7.926 ( -7.819 8.150 -0.011) 11.294 8.859 ( 2.920 -5.793 0.094) 6.488 8.880 ( 2.754 -6.246 -0.082) 6.827 9.171 ( -1.411 4.880 0.312) 5.089 9.179 ( -1.985 4.428 -0.292) 4.862 9.421 ( -8.258 5.439 0.060) 9.888 9.423 ( -8.516 5.733 -0.086) 10.266 9.604 ( -1.088 3.608 -0.029) 3.769 9.621 ( -0.821 3.460 0.047) 3.556 9.811 ( -4.726 3.177 -0.047) 5.694 9.830 ( -4.748 3.302 0.059) 5.784 10.061 ( 1.182 -0.311 -0.071) 1.224 10.127 ( 2.675 -1.988 0.358) 3.352 10.240 ( 6.629 -6.059 0.047) 8.981 10.250 ( 7.396 -6.858 -0.007) 10.086 10.739 ( 0.523 0.032 -0.016) 0.524 10.744 ( 0.727 -0.075 0.017) 0.731 11.440 ( -2.177 1.290 -0.283) 2.546 11.472 ( -2.124 0.809 -0.009) 2.273 11.544 ( -0.393 2.149 0.091) 2.186 11.585 ( -1.498 1.568 0.213) 2.179 ======================= Grid point 195 (80/171) ======================= q-point: ( 0.30 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.753 ( -7.376 9.743 0.000) 12.220 1.825 ( -2.533 7.792 -0.000) 8.193 1.825 ( -13.160 12.105 0.000) 17.881 1.923 ( -12.761 11.313 0.000) 17.054 2.611 ( 1.390 1.093 -0.000) 1.769 2.680 ( 0.394 -2.142 0.000) 2.178 2.754 ( 5.282 -6.389 -0.000) 8.290 2.787 ( -0.215 0.507 -0.000) 0.551 2.825 ( 5.232 -1.787 -0.000) 5.529 2.868 ( 2.857 -2.937 -0.000) 4.097 2.917 ( -3.662 3.017 0.000) 4.745 2.974 ( 10.744 -5.324 -0.000) 11.990 3.021 ( 10.761 -10.227 -0.000) 14.846 3.300 ( -0.729 -3.089 0.000) 3.174 3.358 ( -0.566 1.213 -0.000) 1.338 3.466 ( -6.430 -1.510 0.000) 6.605 3.590 ( 0.430 -1.127 0.000) 1.206 3.629 ( 0.474 -0.127 -0.000) 0.491 3.768 ( -21.653 5.945 0.000) 22.454 3.918 ( -8.847 1.192 0.000) 8.927 4.211 ( 6.196 -10.928 -0.000) 12.563 4.246 ( 5.946 -9.240 -0.000) 10.988 4.281 ( -4.062 6.929 0.000) 8.032 4.321 ( -3.141 7.276 -0.000) 7.925 4.434 ( -1.439 -3.314 0.000) 3.613 4.439 ( 0.400 -2.261 0.000) 2.296 4.605 ( 16.892 5.080 -0.000) 17.639 4.638 ( 17.010 4.619 -0.000) 17.626 5.805 ( -2.757 -8.033 0.000) 8.493 5.814 ( -1.449 -7.474 0.000) 7.613 7.399 ( 0.684 0.677 -0.000) 0.962 7.414 ( 0.726 0.635 -0.000) 0.965 8.088 ( -2.270 6.019 -0.000) 6.433 8.108 ( -3.080 6.205 0.000) 6.927 8.770 ( 0.085 -4.811 0.000) 4.812 8.783 ( 0.247 -5.582 0.000) 5.588 9.225 ( 0.539 3.998 -0.000) 4.034 9.238 ( -0.014 3.462 -0.000) 3.462 9.609 ( -6.319 3.683 0.000) 7.314 9.619 ( -6.625 4.332 0.000) 7.915 9.641 ( 0.089 1.830 -0.000) 1.832 9.651 ( 0.612 2.053 -0.000) 2.142 9.909 ( -3.317 2.017 0.000) 3.882 9.922 ( -2.152 1.461 0.000) 2.601 10.008 ( 4.132 -2.001 -0.000) 4.591 10.014 ( 5.690 -4.408 -0.000) 7.197 10.090 ( 2.573 -3.343 -0.000) 4.218 10.122 ( 2.081 -2.008 -0.000) 2.892 10.732 ( 0.229 0.052 -0.000) 0.235 10.735 ( 0.251 0.014 -0.000) 0.252 11.479 ( -1.137 0.627 0.000) 1.298 11.507 ( -1.155 0.289 0.000) 1.191 11.564 ( 0.392 1.584 -0.000) 1.632 11.610 ( -0.125 0.351 -0.000) 0.372 ======================= Grid point 204 (81/171) ======================= q-point: ( 0.20 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( -15.364 18.539 0.000) 24.078 1.090 ( -11.925 15.773 0.000) 19.773 1.223 ( -1.006 1.847 0.000) 2.103 1.371 ( -8.858 11.562 0.000) 14.565 2.256 ( -19.008 20.671 0.000) 28.082 2.345 ( -26.409 28.637 0.000) 38.955 2.626 ( 1.332 -1.455 -0.000) 1.973 2.720 ( 0.031 -3.173 0.000) 3.173 2.893 ( 0.640 -1.410 0.000) 1.548 2.927 ( 1.733 -1.790 -0.000) 2.491 3.056 ( 0.867 -2.734 0.000) 2.868 3.170 ( 7.048 -3.260 -0.000) 7.765 3.272 ( 1.052 -2.895 0.000) 3.080 3.372 ( -1.903 0.781 0.000) 2.057 3.449 ( 1.232 -4.911 0.000) 5.063 3.670 ( 3.249 -2.896 -0.000) 4.353 3.721 ( 4.296 -5.705 -0.000) 7.141 3.781 ( 3.386 -1.845 -0.000) 3.856 3.875 ( 11.614 -14.125 -0.000) 18.286 3.908 ( 12.375 -12.297 -0.000) 17.446 4.004 ( -2.441 2.958 0.000) 3.836 4.035 ( -0.889 5.318 -0.000) 5.392 4.488 ( -0.456 -3.546 0.000) 3.575 4.510 ( 1.164 -1.672 -0.000) 2.038 4.744 ( 6.659 -11.207 -0.000) 13.036 4.752 ( 6.632 -11.233 -0.000) 13.044 5.015 ( 5.331 -1.046 -0.000) 5.432 5.023 ( 4.890 -0.408 -0.000) 4.907 5.962 ( 2.360 -6.313 0.000) 6.740 6.000 ( 3.318 -5.936 -0.000) 6.801 7.394 ( 0.391 1.191 -0.000) 1.254 7.411 ( 0.319 1.092 -0.000) 1.138 7.706 ( -7.329 7.854 0.000) 10.742 7.710 ( -6.747 8.262 0.000) 10.667 8.966 ( 2.750 -4.681 -0.000) 5.429 8.977 ( 1.601 -4.520 0.000) 4.795 9.087 ( -2.771 4.759 0.000) 5.506 9.087 ( -2.098 5.424 -0.000) 5.816 9.225 ( -6.830 5.752 0.000) 8.929 9.238 ( -6.146 4.860 0.000) 7.835 9.537 ( -1.378 4.716 -0.000) 4.913 9.559 ( -1.353 4.673 -0.000) 4.865 9.688 ( -5.048 3.619 0.000) 6.211 9.701 ( -5.549 3.895 0.000) 6.779 10.075 ( 0.463 0.101 -0.000) 0.474 10.185 ( 2.008 -1.841 -0.000) 2.724 10.426 ( 6.258 -7.149 -0.000) 9.501 10.448 ( 6.380 -7.584 -0.000) 9.911 10.750 ( 0.810 0.149 -0.000) 0.823 10.762 ( 1.246 0.021 -0.000) 1.246 11.380 ( -2.652 1.854 0.000) 3.236 11.420 ( -2.536 1.078 0.000) 2.756 11.511 ( -0.681 2.470 -0.000) 2.562 11.529 ( -2.308 2.889 0.000) 3.698 ======================= Grid point 214 (82/171) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.701 ( -0.000 21.789 -0.000) 21.789 0.915 ( -0.000 20.868 -0.000) 20.868 1.211 ( -0.000 15.463 -0.000) 15.463 1.292 ( 0.000 -5.388 0.000) 5.388 1.765 ( -0.000 42.118 -0.000) 42.118 1.847 ( -0.000 30.677 -0.000) 30.677 2.672 ( 0.000 -4.947 0.000) 4.947 2.735 ( 0.000 -4.629 0.000) 4.629 2.876 ( -0.000 1.012 -0.000) 1.012 2.979 ( 0.000 -0.294 0.000) 0.294 3.066 ( 0.000 -2.592 0.000) 2.592 3.236 ( 0.000 -2.719 0.000) 2.719 3.323 ( 0.000 -6.153 0.000) 6.153 3.380 ( 0.000 -8.335 0.000) 8.335 3.441 ( 0.000 -0.375 0.000) 0.375 3.700 ( 0.000 -3.137 0.000) 3.137 3.826 ( 0.000 -0.104 0.000) 0.104 3.871 ( 0.000 -0.778 0.000) 0.778 3.939 ( -0.000 3.341 -0.000) 3.341 3.950 ( -0.000 3.046 -0.000) 3.046 4.173 ( 0.000 -16.929 0.000) 16.929 4.183 ( 0.000 -18.509 0.000) 18.509 4.455 ( 0.000 -1.931 0.000) 1.931 4.512 ( 0.000 -2.871 0.000) 2.871 4.932 ( 0.000 -8.621 0.000) 8.621 4.940 ( 0.000 -8.607 0.000) 8.607 5.022 ( 0.000 -5.166 0.000) 5.166 5.027 ( 0.000 -4.286 0.000) 4.286 6.018 ( 0.000 -6.239 0.000) 6.239 6.072 ( 0.000 -6.489 0.000) 6.489 7.402 ( 0.000 -0.117 0.000) 0.117 7.410 ( 0.000 -0.321 0.000) 0.321 7.568 ( -0.000 9.544 -0.000) 9.544 7.591 ( -0.000 9.974 -0.000) 9.974 8.991 ( 0.000 -1.113 0.000) 1.113 9.007 ( -0.000 0.158 -0.000) 0.158 9.057 ( -0.000 8.421 -0.000) 8.421 9.064 ( -0.000 8.261 -0.000) 8.261 9.084 ( 0.000 -0.027 0.000) 0.027 9.131 ( -0.000 1.459 -0.000) 1.459 9.542 ( -0.000 3.107 -0.000) 3.107 9.545 ( -0.000 6.888 -0.000) 6.888 9.550 ( -0.000 7.132 -0.000) 7.132 9.571 ( -0.000 2.629 -0.000) 2.629 10.083 ( -0.000 0.226 -0.000) 0.226 10.226 ( 0.000 -2.724 0.000) 2.724 10.540 ( 0.000 -8.837 0.000) 8.837 10.558 ( 0.000 -8.977 0.000) 8.977 10.775 ( 0.000 -0.145 0.000) 0.145 10.801 ( 0.000 -0.424 0.000) 0.424 11.322 ( -0.000 2.690 -0.000) 2.690 11.363 ( -0.000 1.854 -0.000) 1.854 11.480 ( -0.000 4.208 -0.000) 4.208 11.497 ( -0.000 2.719 -0.000) 2.719 ======================= Grid point 215 (83/171) ======================= q-point: ( 0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( -5.809 23.152 0.557) 23.876 1.133 ( -3.345 16.327 0.502) 16.674 1.269 ( 1.004 7.483 -0.711) 7.583 1.399 ( -3.701 15.333 -0.688) 15.788 2.236 ( -9.564 25.739 -0.256) 27.460 2.312 ( -13.872 36.231 -0.450) 38.799 2.625 ( 0.554 -2.102 0.522) 2.235 2.690 ( -0.005 -3.199 0.245) 3.208 2.890 ( -0.125 0.495 0.118) 0.524 2.943 ( 2.311 -1.204 -1.563) 3.039 3.029 ( 0.434 -4.369 0.739) 4.453 3.202 ( 0.544 -5.922 -1.062) 6.041 3.261 ( 1.325 -1.911 -3.958) 4.590 3.304 ( -1.399 -6.723 1.902) 7.125 3.443 ( 0.417 -0.052 1.512) 1.569 3.662 ( 0.583 -5.086 0.876) 5.194 3.751 ( 4.869 -1.646 -0.460) 5.161 3.822 ( 3.519 -2.597 -0.228) 4.380 3.906 ( 8.875 -18.475 -0.155) 20.497 3.925 ( 5.173 -16.912 0.045) 17.686 4.005 ( -0.993 3.900 0.068) 4.025 4.038 ( -4.195 4.490 -0.149) 6.146 4.441 ( -0.475 -2.843 -0.083) 2.884 4.488 ( -0.448 -3.221 -0.026) 3.252 4.754 ( 7.202 -11.135 0.012) 13.261 4.760 ( 7.122 -11.264 -0.023) 13.327 5.008 ( -2.711 -5.171 0.022) 5.839 5.019 ( -2.731 -4.306 -0.047) 5.100 5.931 ( 2.263 -7.209 0.041) 7.556 5.980 ( 2.386 -7.484 -0.041) 7.856 7.404 ( -0.236 0.266 0.026) 0.357 7.413 ( -0.553 0.006 -0.030) 0.553 7.701 ( -3.585 10.258 0.079) 10.867 7.723 ( -2.966 10.814 -0.048) 11.213 8.958 ( 1.383 -4.016 -0.116) 4.249 8.963 ( 2.172 -4.731 0.122) 5.207 9.112 ( -0.896 5.708 0.065) 5.778 9.135 ( -0.005 6.963 -0.063) 6.964 9.196 ( -3.918 8.036 0.003) 8.940 9.202 ( -3.876 6.122 -0.038) 7.245 9.574 ( -0.221 4.468 0.049) 4.474 9.595 ( -0.231 4.471 -0.035) 4.477 9.652 ( -3.467 4.873 0.010) 5.980 9.661 ( -3.825 5.411 0.049) 6.626 10.083 ( 0.229 0.058 0.139) 0.274 10.189 ( 0.997 -2.403 -0.611) 2.672 10.422 ( 2.808 -9.210 0.042) 9.628 10.439 ( 2.710 -9.642 -0.037) 10.016 10.766 ( 0.776 -0.009 0.051) 0.778 10.785 ( 1.190 -0.268 -0.070) 1.222 11.366 ( -1.507 2.662 0.270) 3.071 11.397 ( -1.553 1.717 0.120) 2.318 11.527 ( -0.384 2.676 -0.221) 2.712 11.531 ( -1.102 3.464 -0.178) 3.639 ======================= Grid point 216 (84/171) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( -9.476 18.747 -1.365) 21.050 1.378 ( -10.052 17.940 1.133) 20.596 1.455 ( -5.372 17.895 0.589) 18.693 1.636 ( -6.241 14.215 -0.897) 15.551 2.593 ( -1.155 0.974 -4.342) 4.597 2.605 ( -7.178 9.605 -2.420) 12.232 2.688 ( -2.670 2.752 5.131) 6.405 2.872 ( 2.488 -1.570 -1.360) 3.241 2.879 ( 1.314 0.972 0.216) 1.649 2.949 ( -15.807 24.444 0.947) 29.125 2.976 ( 0.494 -4.596 1.495) 4.858 3.084 ( 4.872 -4.791 -0.431) 6.847 3.243 ( -1.887 -1.517 -2.754) 3.667 3.270 ( -1.492 -4.779 0.270) 5.014 3.416 ( 3.287 -5.635 -0.373) 6.534 3.476 ( 9.154 -16.838 1.057) 19.194 3.521 ( 12.666 -11.807 0.350) 17.319 3.667 ( 2.447 -4.785 -0.463) 5.395 3.677 ( 2.354 -4.042 0.970) 4.777 3.815 ( 1.030 0.887 -0.648) 1.505 4.099 ( -3.683 6.668 0.325) 7.625 4.163 ( -3.761 7.314 -0.447) 8.236 4.409 ( 0.136 -3.670 -0.442) 3.699 4.456 ( 0.324 -3.567 0.229) 3.589 4.492 ( 7.950 -13.101 0.064) 15.325 4.503 ( 7.438 -12.791 -0.060) 14.797 4.986 ( 1.412 -2.233 0.120) 2.644 5.008 ( 1.124 -1.496 -0.154) 1.877 5.796 ( 3.162 -9.482 -0.330) 10.001 5.842 ( 3.390 -9.511 0.314) 10.102 7.414 ( -0.165 0.720 0.070) 0.742 7.425 ( -0.423 0.440 -0.071) 0.614 7.895 ( -6.257 10.440 0.076) 12.171 7.908 ( -5.422 10.848 -0.067) 12.127 8.851 ( 3.559 -6.404 -0.154) 7.328 8.865 ( 3.163 -6.457 0.151) 7.191 9.199 ( -1.847 5.767 -0.065) 6.056 9.212 ( -1.117 6.069 0.023) 6.171 9.357 ( -5.644 7.233 -0.097) 9.175 9.361 ( -5.628 7.703 0.122) 9.541 9.629 ( -0.773 4.088 -0.045) 4.160 9.648 ( -0.722 3.849 0.033) 3.916 9.768 ( -4.180 4.086 0.140) 5.847 9.784 ( -4.442 4.138 -0.085) 6.071 10.075 ( 0.657 -0.203 0.127) 0.699 10.141 ( 1.577 -2.112 -0.788) 2.751 10.265 ( 4.501 -8.576 -0.081) 9.686 10.276 ( 4.704 -9.156 0.062) 10.294 10.752 ( 0.834 0.053 0.024) 0.836 10.761 ( 1.170 -0.091 -0.034) 1.175 11.422 ( -1.855 1.999 0.511) 2.774 11.445 ( -1.978 1.243 0.253) 2.350 11.559 ( -0.410 2.266 -0.427) 2.342 11.580 ( -1.176 2.256 -0.321) 2.564 ======================= Grid point 217 (85/171) ======================= q-point: ( 0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( -12.144 16.411 -0.868) 20.435 1.743 ( -8.486 16.121 -0.892) 18.240 1.819 ( -13.231 19.224 1.401) 23.379 1.877 ( -5.762 12.095 -0.205) 13.399 2.598 ( -0.717 0.523 -3.663) 3.769 2.672 ( -0.851 -0.398 1.580) 1.838 2.767 ( 4.173 -4.807 -1.314) 6.500 2.780 ( 0.711 -1.819 -0.115) 1.956 2.886 ( 0.818 1.642 -1.984) 2.702 2.907 ( 1.593 -2.915 2.404) 4.100 2.931 ( 6.981 -3.577 0.447) 7.857 3.066 ( 10.293 -13.373 -2.035) 16.997 3.121 ( 11.850 -14.826 2.271) 19.115 3.209 ( -2.582 -8.494 -0.434) 8.888 3.344 ( -5.891 1.825 0.792) 6.217 3.368 ( -1.620 5.713 0.134) 5.940 3.507 ( -9.387 5.979 -2.958) 11.516 3.614 ( -0.422 -0.414 2.715) 2.779 3.626 ( -0.681 0.575 -0.210) 0.915 3.841 ( -2.345 1.908 -0.869) 3.146 4.216 ( 7.220 -11.567 0.194) 13.637 4.234 ( 2.025 -5.626 -0.036) 5.980 4.291 ( -1.263 2.863 -0.110) 3.131 4.334 ( -4.189 8.027 -0.277) 9.059 4.375 ( -0.989 -1.698 -0.656) 2.072 4.415 ( 0.139 -3.318 0.509) 3.360 4.903 ( 9.023 3.825 0.245) 9.803 4.933 ( 8.992 4.277 -0.291) 9.961 5.650 ( -0.487 -12.934 -0.516) 12.953 5.691 ( 0.370 -12.780 0.427) 12.793 7.420 ( 0.459 0.808 0.108) 0.936 7.431 ( 0.347 0.512 -0.114) 0.628 8.112 ( -5.038 10.260 -0.032) 11.430 8.113 ( -5.453 10.267 0.029) 11.626 8.721 ( 2.393 -7.782 -0.109) 8.142 8.733 ( 2.668 -8.266 0.076) 8.687 9.276 ( -0.390 5.338 -0.349) 5.363 9.286 ( -0.342 5.273 0.323) 5.294 9.535 ( -6.649 6.006 -0.099) 8.960 9.543 ( -6.765 6.115 0.138) 9.121 9.670 ( 0.190 2.844 -0.399) 2.878 9.688 ( 0.263 2.907 0.321) 2.936 9.872 ( -3.471 2.556 0.009) 4.310 9.890 ( -3.490 2.399 -0.141) 4.238 10.050 ( 2.394 -1.313 0.024) 2.731 10.059 ( 4.698 -5.211 -0.080) 7.016 10.101 ( 4.209 -6.920 -0.042) 8.100 10.128 ( 2.343 -3.978 -0.517) 4.645 10.739 ( 0.572 -0.014 -0.133) 0.587 10.744 ( 0.683 0.082 0.133) 0.701 11.469 ( -1.362 1.173 0.615) 1.899 11.487 ( -1.493 0.608 0.185) 1.623 11.579 ( 0.079 1.496 -0.974) 1.787 11.613 ( -0.569 1.228 0.079) 1.355 ======================= Grid point 218 (86/171) ======================= q-point: ( 0.60 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.937 ( -0.480 8.142 -0.588) 8.177 1.985 ( 4.291 7.327 0.089) 8.492 2.058 ( 1.052 10.302 -1.680) 10.491 2.146 ( 2.336 9.197 1.610) 9.624 2.582 ( -0.122 -1.135 -3.590) 3.767 2.609 ( -2.715 -4.155 -0.564) 4.995 2.690 ( -0.341 -0.929 -0.131) 0.999 2.723 ( -2.759 -3.568 -2.291) 5.059 2.792 ( -2.285 -1.447 0.472) 2.745 2.821 ( 1.297 -2.968 2.188) 3.909 2.882 ( 2.355 -3.124 -0.195) 3.917 2.926 ( 2.478 -0.922 1.552) 3.066 2.965 ( -3.156 2.241 -1.313) 4.088 3.187 ( -4.227 -6.976 0.172) 8.158 3.369 ( -0.055 0.421 -2.756) 2.789 3.471 ( -4.049 0.699 1.856) 4.509 3.533 ( -0.816 -2.413 -1.164) 2.800 3.557 ( 2.162 -4.139 -0.310) 4.680 3.859 ( 2.956 -3.528 0.361) 4.617 3.888 ( -3.990 1.318 -0.508) 4.233 4.009 ( -2.898 -4.702 1.426) 5.705 4.114 ( -3.418 -3.846 -0.996) 5.241 4.325 ( -1.657 -2.688 -1.167) 3.367 4.382 ( -0.997 -3.112 0.627) 3.327 4.449 ( 2.412 3.718 0.163) 4.435 4.468 ( 2.172 3.522 -0.164) 4.141 4.810 ( 7.958 14.714 -0.158) 16.728 4.836 ( 8.517 15.029 0.073) 17.274 5.575 ( -6.763 -13.423 -0.507) 15.039 5.602 ( -5.816 -13.507 0.335) 14.709 7.413 ( 1.136 0.500 0.103) 1.245 7.421 ( 1.088 0.214 -0.106) 1.114 8.222 ( 4.082 6.569 0.204) 7.737 8.237 ( 3.554 6.255 -0.221) 7.198 8.659 ( -4.962 -5.633 -0.131) 7.508 8.664 ( -5.039 -5.849 0.093) 7.721 9.310 ( 1.949 4.145 -0.285) 4.589 9.321 ( 1.902 3.893 0.319) 4.344 9.654 ( 1.347 0.816 -0.207) 1.588 9.664 ( 0.881 1.119 -0.158) 1.433 9.705 ( -1.735 3.905 0.002) 4.273 9.709 ( -0.075 3.262 0.191) 3.268 9.887 ( 1.330 -4.184 -0.093) 4.391 9.896 ( 0.675 -4.517 -0.100) 4.569 9.969 ( -0.670 1.183 0.250) 1.383 9.998 ( -0.632 1.511 -0.592) 1.741 10.042 ( -0.119 -1.829 0.336) 1.864 10.077 ( 0.388 -1.847 -0.678) 2.005 10.732 ( 0.087 0.021 -0.147) 0.172 10.738 ( 0.258 0.157 0.150) 0.337 11.496 ( -0.446 0.512 0.490) 0.838 11.508 ( -0.459 0.025 -0.020) 0.460 11.574 ( 1.072 0.520 -1.674) 2.055 11.626 ( 0.360 0.605 0.882) 1.129 ======================= Grid point 219 (87/171) ======================= q-point: (-0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( 20.902 -0.758 -2.380) 21.051 1.874 ( 17.225 0.565 1.128) 17.271 1.883 ( 13.283 1.247 0.031) 13.341 1.904 ( 18.469 -0.862 0.118) 18.489 2.598 ( -0.876 0.508 -3.176) 3.334 2.716 ( -1.327 0.767 2.172) 2.659 2.761 ( -3.790 1.008 -0.076) 3.923 2.809 ( -3.072 -0.435 -0.069) 3.103 2.835 ( -4.007 0.299 -1.568) 4.313 2.885 ( 0.513 0.083 -0.627) 0.814 2.951 ( -17.558 3.379 -1.566) 17.948 3.058 ( -15.580 2.774 1.493) 15.896 3.077 ( -10.428 2.702 -0.847) 10.806 3.223 ( -6.049 -4.550 1.546) 7.725 3.350 ( 3.421 0.590 -2.742) 4.424 3.437 ( 6.625 -2.923 -0.659) 7.271 3.465 ( 8.494 -4.121 0.762) 9.472 3.548 ( -3.686 -1.867 0.955) 4.241 3.638 ( 4.946 -2.193 -4.263) 6.888 3.818 ( 3.862 -1.079 3.090) 5.063 4.239 ( -11.979 0.647 0.200) 11.998 4.269 ( -12.398 -0.407 -0.217) 12.407 4.299 ( 9.164 0.202 -0.277) 9.171 4.321 ( 8.818 0.292 -0.276) 8.827 4.346 ( -2.031 -1.931 -1.073) 3.001 4.395 ( -2.442 -1.983 0.687) 3.220 4.916 ( -1.002 11.105 -0.451) 11.159 4.939 ( -0.544 10.946 0.437) 10.968 5.622 ( -10.485 -7.118 -0.487) 12.682 5.641 ( -10.188 -7.075 0.282) 12.406 7.393 ( 1.408 0.073 0.004) 1.410 7.399 ( 1.429 -0.085 0.001) 1.431 8.113 ( 10.633 0.954 0.173) 10.677 8.121 ( 10.713 0.192 -0.166) 10.716 8.769 ( -8.870 -0.551 -0.179) 8.889 8.777 ( -9.270 -0.724 0.113) 9.299 9.288 ( 4.071 2.289 -0.105) 4.671 9.297 ( 4.219 1.956 0.217) 4.655 9.558 ( 8.437 -1.869 -0.075) 8.642 9.565 ( 8.097 -2.099 -0.167) 8.366 9.661 ( 5.030 0.185 -0.260) 5.041 9.675 ( 4.326 0.525 0.255) 4.365 9.884 ( 0.921 -0.540 -0.096) 1.072 9.887 ( 1.561 -0.724 -0.095) 1.723 10.030 ( -3.038 1.069 -0.588) 3.274 10.052 ( -5.573 1.579 -0.299) 5.800 10.073 ( -5.779 -0.544 0.469) 5.823 10.087 ( -3.852 -0.761 -0.040) 3.927 10.735 ( -0.304 0.084 -0.053) 0.319 10.738 ( -0.017 0.110 0.058) 0.126 11.500 ( 0.530 0.184 0.253) 0.616 11.504 ( 0.692 -0.202 -0.226) 0.755 11.540 ( 2.182 -0.143 -1.833) 2.853 11.617 ( 1.618 0.138 1.347) 2.110 ======================= Grid point 220 (88/171) ======================= q-point: (-0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( 19.106 0.000 -0.991) 19.132 1.427 ( 27.117 0.000 -0.161) 27.118 1.589 ( 17.878 0.000 -0.869) 17.899 1.672 ( 14.133 0.000 1.525) 14.215 2.594 ( 0.733 0.000 -0.372) 0.822 2.644 ( 16.114 0.000 1.187) 16.157 2.781 ( 3.430 -0.000 1.498) 3.743 2.790 ( -1.438 -0.000 2.222) 2.647 2.918 ( -4.237 0.000 -2.841) 5.101 2.944 ( -5.479 0.000 -3.180) 6.335 2.987 ( 24.518 0.000 -2.660) 24.662 3.143 ( -1.714 -0.000 0.131) 1.719 3.230 ( 4.971 -0.000 4.304) 6.576 3.329 ( -10.288 -0.000 2.286) 10.539 3.395 ( -17.439 -0.000 0.240) 17.440 3.409 ( -4.720 0.000 -3.931) 6.142 3.482 ( -16.606 -0.000 -1.483) 16.672 3.636 ( -5.643 -0.000 0.901) 5.714 3.649 ( -6.527 0.000 -2.258) 6.907 3.806 ( -2.412 -0.000 2.196) 3.262 4.103 ( 8.540 0.000 -0.400) 8.549 4.140 ( 8.465 0.000 0.677) 8.492 4.394 ( -3.848 0.000 -0.934) 3.959 4.441 ( -3.353 -0.000 0.419) 3.379 4.511 ( -14.959 -0.000 -0.391) 14.964 4.533 ( -14.759 -0.000 0.269) 14.761 4.999 ( -2.378 -0.000 -0.190) 2.386 5.014 ( -1.772 -0.000 0.234) 1.787 5.781 ( -10.726 -0.000 -0.276) 10.730 5.794 ( -9.961 -0.000 0.113) 9.962 7.370 ( 1.042 0.000 -0.044) 1.043 7.373 ( 1.248 0.000 0.057) 1.250 7.916 ( 11.586 0.000 -0.033) 11.586 7.919 ( 11.545 0.000 0.058) 11.545 8.911 ( -7.002 -0.000 -0.235) 7.006 8.924 ( -7.004 -0.000 0.128) 7.005 9.218 ( 4.903 0.000 0.075) 4.904 9.220 ( 5.502 0.000 0.117) 5.503 9.375 ( 9.993 0.000 -0.206) 9.995 9.385 ( 10.222 0.000 0.085) 10.223 9.575 ( 4.843 0.000 -0.359) 4.856 9.597 ( 4.849 0.000 0.285) 4.857 9.813 ( 5.381 0.000 -0.212) 5.385 9.821 ( 4.990 0.000 0.027) 4.990 10.056 ( -0.971 0.000 -0.746) 1.224 10.119 ( -2.311 -0.000 1.138) 2.576 10.229 ( -10.562 -0.000 -0.260) 10.565 10.244 ( -10.713 -0.000 0.186) 10.715 10.740 ( -0.098 0.000 -0.031) 0.102 10.743 ( -0.459 -0.000 0.043) 0.460 11.476 ( 2.501 0.000 -1.106) 2.735 11.488 ( 2.404 0.000 -0.635) 2.487 11.488 ( 1.036 0.000 0.022) 1.036 11.581 ( 3.057 -0.000 1.377) 3.353 ======================= Grid point 225 (89/171) ======================= q-point: ( 0.30 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( -0.000 21.170 2.774) 21.351 0.922 ( -0.000 20.608 1.823) 20.688 1.205 ( -0.000 15.602 -1.575) 15.682 1.277 ( 0.000 -4.460 -3.949) 5.957 1.771 ( -0.000 41.593 1.410) 41.616 1.848 ( -0.000 30.335 0.327) 30.337 2.671 ( 0.000 -4.901 -0.279) 4.909 2.732 ( 0.000 -4.472 -0.755) 4.535 2.877 ( -0.000 1.048 0.268) 1.082 2.963 ( 0.000 -0.493 -3.686) 3.718 3.077 ( -0.000 -2.228 2.510) 3.357 3.204 ( 0.000 -2.685 -6.577) 7.104 3.334 ( -0.000 -6.507 1.444) 6.665 3.367 ( 0.000 -8.437 -2.966) 8.944 3.455 ( -0.000 0.147 3.533) 3.536 3.705 ( -0.000 -2.640 0.998) 2.823 3.822 ( 0.000 -0.490 -0.807) 0.944 3.868 ( 0.000 -0.857 -0.656) 1.079 3.940 ( -0.000 3.309 0.299) 3.323 3.951 ( -0.000 3.011 0.119) 3.013 4.173 ( 0.000 -16.925 0.016) 16.925 4.182 ( 0.000 -18.438 -0.157) 18.439 4.456 ( 0.000 -1.974 0.249) 1.989 4.511 ( 0.000 -2.861 -0.437) 2.894 4.932 ( 0.000 -8.617 0.039) 8.617 4.940 ( 0.000 -8.605 -0.061) 8.605 5.022 ( 0.000 -5.148 0.005) 5.148 5.026 ( 0.000 -4.311 -0.053) 4.312 6.019 ( 0.000 -6.235 0.315) 6.243 6.070 ( 0.000 -6.474 -0.350) 6.483 7.402 ( -0.000 -0.119 0.034) 0.123 7.409 ( 0.000 -0.313 -0.065) 0.320 7.568 ( -0.000 9.548 0.198) 9.550 7.591 ( -0.000 9.942 -0.057) 9.942 8.991 ( 0.000 -1.086 0.100) 1.090 9.007 ( 0.000 0.106 -0.099) 0.145 9.057 ( -0.000 8.390 -0.002) 8.390 9.064 ( -0.000 8.254 -0.093) 8.255 9.085 ( -0.000 0.062 0.290) 0.296 9.129 ( -0.000 1.449 -0.296) 1.479 9.543 ( -0.000 3.589 0.069) 3.590 9.546 ( -0.000 6.419 0.190) 6.421 9.550 ( -0.000 7.085 -0.027) 7.085 9.571 ( -0.000 2.699 -0.136) 2.703 10.085 ( -0.000 -0.012 0.734) 0.734 10.221 ( 0.000 -2.688 -1.386) 3.024 10.540 ( 0.000 -8.841 0.109) 8.842 10.558 ( 0.000 -8.968 -0.117) 8.969 10.776 ( -0.000 -0.149 0.133) 0.200 10.801 ( 0.000 -0.414 -0.199) 0.459 11.324 ( -0.000 2.723 0.475) 2.764 11.363 ( -0.000 1.917 0.065) 1.918 11.479 ( -0.000 4.173 -0.351) 4.188 11.495 ( -0.000 2.728 -0.357) 2.751 ======================= Grid point 226 (90/171) ======================= q-point: ( 0.40 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( -5.527 22.449 1.739) 23.184 1.140 ( -3.267 15.159 1.134) 15.549 1.259 ( 0.698 9.344 -1.732) 9.529 1.389 ( -3.656 15.612 -1.979) 16.156 2.232 ( -9.477 25.072 -0.626) 26.811 2.305 ( -13.104 33.855 -1.443) 36.331 2.633 ( 0.022 0.277 1.597) 1.621 2.694 ( -0.273 -2.202 0.891) 2.391 2.890 ( 0.372 1.039 -0.545) 1.232 2.925 ( 1.331 -1.672 -2.437) 3.241 3.034 ( 1.322 -3.259 0.207) 3.523 3.188 ( -1.502 -4.424 -2.157) 5.145 3.225 ( 2.455 -3.448 -4.597) 6.249 3.310 ( -1.938 -7.644 -0.539) 7.904 3.466 ( 1.304 0.371 4.081) 4.301 3.674 ( 0.730 -4.847 1.968) 5.282 3.744 ( 4.709 -1.773 -1.171) 5.166 3.818 ( 3.175 -2.487 -0.699) 4.093 3.904 ( 8.886 -18.703 -0.318) 20.709 3.926 ( 5.349 -16.707 0.033) 17.543 4.006 ( -1.069 3.958 0.208) 4.105 4.035 ( -3.939 4.480 -0.412) 5.980 4.440 ( -0.285 -2.805 -0.215) 2.827 4.488 ( -0.649 -3.258 -0.066) 3.323 4.754 ( 7.199 -11.142 0.038) 13.266 4.759 ( 7.126 -11.255 -0.065) 13.322 5.008 ( -2.714 -5.128 0.066) 5.802 5.019 ( -2.738 -4.357 -0.132) 5.148 5.932 ( 2.444 -7.223 0.112) 7.626 5.979 ( 2.213 -7.448 -0.113) 7.771 7.404 ( -0.252 0.257 0.077) 0.368 7.412 ( -0.542 0.019 -0.086) 0.549 7.702 ( -3.543 10.275 0.226) 10.871 7.722 ( -2.990 10.770 -0.146) 11.179 8.957 ( 1.734 -4.154 -0.195) 4.505 8.965 ( 1.832 -4.558 0.210) 4.917 9.113 ( -0.790 5.784 0.178) 5.841 9.134 ( -0.067 6.832 -0.171) 6.835 9.196 ( -3.947 8.014 0.010) 8.934 9.201 ( -3.901 6.199 -0.103) 7.325 9.574 ( -0.220 4.415 0.134) 4.423 9.594 ( -0.237 4.469 -0.101) 4.476 9.652 ( -3.520 5.020 0.042) 6.131 9.661 ( -3.734 5.365 0.115) 6.537 10.085 ( 0.276 -0.074 0.445) 0.529 10.180 ( 0.949 -2.245 -1.670) 2.955 10.423 ( 2.819 -9.237 0.120) 9.658 10.438 ( 2.702 -9.600 -0.114) 9.973 10.767 ( 0.793 -0.021 0.149) 0.807 10.784 ( 1.163 -0.249 -0.199) 1.206 11.370 ( -1.495 2.689 0.738) 3.164 11.399 ( -1.563 1.795 0.314) 2.401 11.524 ( -0.465 2.801 -0.652) 2.913 11.528 ( -1.019 3.317 -0.427) 3.497 ======================= Grid point 227 (91/171) ======================= q-point: ( 0.50 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( -8.639 18.245 -1.330) 20.231 1.386 ( -10.481 18.516 0.978) 21.299 1.461 ( -5.542 17.573 1.068) 18.458 1.626 ( -6.366 14.737 -1.561) 16.129 2.551 ( -3.085 3.988 -5.389) 7.380 2.591 ( -5.672 7.179 -1.816) 9.328 2.726 ( -2.151 2.832 4.709) 5.901 2.859 ( 2.229 -1.522 -1.847) 3.270 2.882 ( 1.473 0.677 0.539) 1.708 2.959 ( -14.405 23.251 1.557) 27.396 2.988 ( 0.322 -3.638 1.273) 3.868 3.082 ( 3.535 -4.306 0.089) 5.572 3.220 ( -2.461 0.628 -2.943) 3.887 3.265 ( -1.867 -5.486 -1.503) 5.987 3.412 ( 5.465 -9.181 -0.480) 10.695 3.487 ( 8.760 -14.754 1.797) 17.253 3.524 ( 12.237 -11.446 0.505) 16.764 3.662 ( 2.011 -4.434 -0.744) 4.926 3.688 ( 2.702 -3.806 1.627) 4.943 3.807 ( 0.927 0.621 -1.232) 1.662 4.103 ( -3.684 6.758 0.623) 7.722 4.158 ( -3.763 7.353 -0.820) 8.301 4.405 ( 0.252 -3.670 -0.651) 3.736 4.458 ( 0.277 -3.564 0.305) 3.588 4.493 ( 7.901 -13.099 0.126) 15.298 4.503 ( 7.399 -12.816 -0.115) 14.799 4.988 ( 1.390 -2.180 0.232) 2.596 5.007 ( 1.131 -1.560 -0.285) 1.948 5.793 ( 3.320 -9.461 -0.467) 10.038 5.845 ( 3.259 -9.526 0.441) 10.078 7.414 ( -0.180 0.706 0.132) 0.740 7.424 ( -0.406 0.455 -0.133) 0.624 7.896 ( -6.191 10.461 0.137) 12.156 7.907 ( -5.476 10.821 -0.123) 12.129 8.850 ( 3.557 -6.279 -0.205) 7.220 8.867 ( 3.185 -6.574 0.200) 7.308 9.198 ( -1.640 5.892 -0.105) 6.117 9.212 ( -1.324 5.953 0.038) 6.099 9.356 ( -5.630 7.243 -0.101) 9.174 9.362 ( -5.659 7.703 0.142) 9.559 9.628 ( -0.743 3.922 -0.074) 3.992 9.648 ( -0.740 3.996 0.054) 4.064 9.769 ( -4.158 4.093 0.251) 5.839 9.783 ( -4.381 4.136 -0.165) 6.027 10.077 ( 0.684 -0.249 0.321) 0.796 10.133 ( 1.441 -1.843 -1.381) 2.717 10.265 ( 4.596 -8.746 -0.087) 9.881 10.277 ( 4.657 -9.018 0.055) 10.149 10.752 ( 0.872 -0.003 0.042) 0.873 10.760 ( 1.124 -0.031 -0.058) 1.126 11.427 ( -1.835 1.988 0.826) 2.829 11.448 ( -1.912 1.303 0.508) 2.368 11.554 ( -0.403 2.146 -0.835) 2.338 11.577 ( -1.229 2.362 -0.476) 2.705 ======================= Grid point 228 (92/171) ======================= q-point: ( 0.60 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( -12.613 17.733 -1.331) 21.802 1.738 ( -7.807 14.003 -0.440) 16.038 1.830 ( -13.317 19.566 1.362) 23.707 1.875 ( -5.932 12.695 -0.274) 14.015 2.568 ( -0.532 0.573 -3.902) 3.979 2.682 ( -1.051 0.646 0.976) 1.573 2.760 ( 4.046 -4.488 -0.306) 6.050 2.780 ( 0.563 -1.729 0.054) 1.819 2.866 ( 1.942 0.054 -2.931) 3.516 2.923 ( 3.159 -0.337 0.796) 3.275 2.940 ( 6.415 -8.057 2.336) 10.560 3.051 ( 8.758 -11.534 -1.838) 14.599 3.137 ( 11.906 -14.947 1.824) 19.197 3.204 ( -2.692 -8.208 -0.591) 8.658 3.351 ( -7.053 3.251 0.883) 7.816 3.370 ( 0.009 4.090 0.542) 4.126 3.483 ( -8.282 5.203 -3.087) 10.256 3.624 ( -0.161 -0.248 -0.257) 0.392 3.635 ( -1.476 1.688 2.669) 3.486 3.832 ( -2.830 1.816 -1.206) 3.572 4.218 ( 7.171 -11.454 0.275) 13.516 4.234 ( 2.672 -6.571 -0.083) 7.094 4.290 ( -1.929 3.770 -0.116) 4.236 4.331 ( -3.751 7.631 -0.397) 8.513 4.370 ( -1.266 -1.351 -0.625) 1.954 4.419 ( 0.071 -3.388 0.482) 3.423 4.905 ( 9.041 3.816 0.372) 9.821 4.930 ( 8.965 4.251 -0.428) 9.931 5.646 ( -0.473 -12.840 -0.541) 12.860 5.694 ( 0.385 -12.885 0.431) 12.898 7.421 ( 0.448 0.784 0.169) 0.919 7.430 ( 0.359 0.538 -0.176) 0.670 8.112 ( -5.263 10.194 -0.030) 11.472 8.114 ( -5.224 10.334 0.026) 11.580 8.720 ( 2.434 -7.719 -0.123) 8.095 8.734 ( 2.636 -8.327 0.082) 8.735 9.274 ( -0.312 5.421 -0.291) 5.437 9.288 ( -0.434 5.208 0.260) 5.232 9.534 ( -6.661 6.010 -0.094) 8.972 9.544 ( -6.743 6.091 0.142) 9.088 9.667 ( 0.216 2.657 -0.391) 2.694 9.691 ( 0.255 3.074 0.293) 3.099 9.872 ( -3.347 2.447 -0.004) 4.146 9.889 ( -3.553 2.468 -0.159) 4.329 10.050 ( 2.618 -1.652 0.079) 3.097 10.058 ( 4.424 -4.715 -0.143) 6.467 10.101 ( 3.913 -6.536 -0.039) 7.618 10.124 ( 2.661 -4.409 -0.654) 5.191 10.738 ( 0.572 -0.085 -0.120) 0.590 10.745 ( 0.681 0.153 0.120) 0.708 11.475 ( -1.330 1.106 0.680) 1.859 11.490 ( -1.323 0.669 0.494) 1.563 11.570 ( 0.139 1.237 -1.352) 1.838 11.613 ( -0.759 1.465 0.058) 1.651 ======================= Grid point 229 (93/171) ======================= q-point: (-0.30 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( -0.690 7.997 -0.508) 8.043 1.985 ( 4.394 7.897 -0.191) 9.039 2.048 ( 1.022 9.573 -1.059) 9.685 2.157 ( 2.641 9.376 1.190) 9.813 2.552 ( -0.350 -0.098 -3.724) 3.742 2.607 ( -2.233 -6.664 -0.112) 7.029 2.688 ( -0.862 -1.431 -0.407) 1.720 2.707 ( -1.841 -1.394 -1.580) 2.798 2.796 ( -2.654 -1.649 0.418) 3.152 2.836 ( 0.885 -1.591 1.667) 2.469 2.881 ( 2.173 -4.906 -0.071) 5.366 2.936 ( 0.944 0.284 0.825) 1.285 2.956 ( -1.314 1.164 -0.869) 1.958 3.188 ( -4.483 -6.752 0.075) 8.105 3.349 ( 0.484 -0.436 -2.226) 2.319 3.484 ( -3.790 0.711 1.484) 4.132 3.524 ( -1.562 -2.021 -1.192) 2.819 3.554 ( 2.782 -4.278 -0.374) 5.116 3.863 ( 2.203 -2.865 0.507) 3.650 3.884 ( -2.783 0.548 -0.663) 2.913 4.021 ( -3.982 -4.315 1.678) 6.106 4.105 ( -2.889 -3.917 -1.264) 5.029 4.317 ( -1.621 -2.862 -0.976) 3.431 4.386 ( -0.916 -2.897 0.402) 3.065 4.450 ( 2.256 3.531 0.257) 4.198 4.466 ( 2.204 3.522 -0.221) 4.161 4.809 ( 8.228 14.476 -0.145) 16.651 4.836 ( 8.231 15.254 0.061) 17.333 5.572 ( -6.708 -13.353 -0.424) 14.950 5.605 ( -5.865 -13.603 0.253) 14.816 7.414 ( 1.131 0.419 0.135) 1.213 7.420 ( 1.092 0.297 -0.138) 1.140 8.224 ( 4.021 6.539 0.279) 7.682 8.235 ( 3.610 6.272 -0.296) 7.243 8.658 ( -4.955 -5.529 -0.103) 7.425 8.664 ( -5.041 -5.940 0.065) 7.791 9.308 ( 1.925 4.182 -0.203) 4.608 9.324 ( 1.906 3.875 0.237) 4.325 9.652 ( 1.565 0.576 -0.211) 1.681 9.663 ( 0.582 1.362 -0.143) 1.488 9.705 ( -1.882 3.904 0.018) 4.334 9.710 ( 0.172 3.199 0.162) 3.208 9.886 ( 1.212 -3.998 -0.098) 4.179 9.895 ( 0.755 -4.626 -0.097) 4.688 9.972 ( -0.572 1.074 0.390) 1.277 9.993 ( -0.586 1.421 -0.728) 1.701 10.045 ( -0.114 -1.792 0.538) 1.875 10.071 ( 0.228 -1.800 -0.880) 2.016 10.731 ( 0.049 -0.014 -0.109) 0.120 10.739 ( 0.294 0.192 0.111) 0.369 11.500 ( -0.418 0.379 0.329) 0.653 11.510 ( -0.230 0.144 0.410) 0.492 11.561 ( 1.083 0.326 -1.701) 2.042 11.632 ( 0.148 0.759 0.641) 1.004 ======================= Grid point 230 (94/171) ======================= q-point: (-0.20 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( 20.982 -0.877 -1.611) 21.062 1.879 ( 16.150 0.793 0.294) 16.172 1.884 ( 12.996 1.083 0.337) 13.045 1.904 ( 19.727 -0.910 0.058) 19.748 2.576 ( -1.545 0.372 -2.254) 2.758 2.732 ( -2.375 1.011 1.865) 3.184 2.762 ( -4.361 1.310 0.391) 4.570 2.802 ( -5.290 0.759 -1.596) 5.578 2.827 ( -3.700 -1.665 -0.516) 4.090 2.880 ( 3.406 -0.514 -0.643) 3.505 2.941 ( -16.502 3.522 -0.877) 16.897 3.057 ( -5.777 3.717 -1.015) 6.944 3.082 ( -20.265 2.210 1.439) 20.436 3.234 ( -6.634 -4.279 1.048) 7.963 3.330 ( 1.329 0.530 -2.205) 2.628 3.429 ( 5.515 -3.877 -0.952) 6.808 3.477 ( 11.960 -3.601 1.781) 12.617 3.553 ( -3.709 -1.172 0.173) 3.894 3.609 ( 4.709 -3.023 -3.130) 6.412 3.838 ( 3.833 -0.712 1.994) 4.379 4.241 ( -12.863 0.103 0.340) 12.868 4.266 ( -11.367 0.594 -0.496) 11.393 4.298 ( 8.091 -0.548 0.015) 8.110 4.317 ( 8.000 0.571 -0.467) 8.034 4.339 ( -0.509 -2.015 -0.585) 2.158 4.400 ( -2.451 -1.997 0.413) 3.188 4.913 ( -1.055 11.114 -0.290) 11.168 4.942 ( -0.516 10.946 0.278) 10.962 5.618 ( -10.539 -7.138 -0.328) 12.733 5.643 ( -10.150 -7.081 0.163) 12.377 7.393 ( 1.391 -0.042 0.003) 1.392 7.399 ( 1.442 0.032 0.000) 1.443 8.114 ( 10.643 0.805 0.216) 10.676 8.120 ( 10.686 0.337 -0.210) 10.693 8.768 ( -8.827 -0.538 -0.121) 8.844 8.778 ( -9.296 -0.738 0.068) 9.325 9.287 ( 4.018 2.310 -0.060) 4.635 9.299 ( 4.249 1.954 0.150) 4.680 9.557 ( 8.581 -2.036 -0.053) 8.819 9.564 ( 7.855 -1.934 -0.144) 8.091 9.660 ( 5.175 0.117 -0.168) 5.179 9.676 ( 4.264 0.568 0.163) 4.305 9.883 ( 0.800 -0.612 -0.078) 1.010 9.887 ( 1.707 -0.677 -0.075) 1.838 10.026 ( -2.462 0.937 -0.432) 2.669 10.050 ( -6.432 1.493 -0.244) 6.607 10.077 ( -5.807 -0.413 0.450) 5.839 10.087 ( -3.815 -0.699 -0.146) 3.882 10.734 ( -0.355 0.064 -0.035) 0.362 10.739 ( 0.032 0.129 0.039) 0.139 11.501 ( 0.521 0.082 -0.084) 0.534 11.504 ( 1.013 -0.057 0.352) 1.074 11.527 ( 1.996 -0.266 -1.487) 2.503 11.626 ( 1.482 0.184 0.848) 1.717 ======================= Grid point 231 (95/171) ======================= q-point: (-0.10 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( 18.427 0.000 -0.569) 18.436 1.426 ( 27.650 0.000 -0.145) 27.650 1.584 ( 17.961 0.000 -0.420) 17.966 1.682 ( 13.714 0.000 0.823) 13.738 2.592 ( -0.889 0.000 -0.173) 0.906 2.651 ( 17.847 0.000 0.659) 17.859 2.793 ( 3.700 -0.000 1.268) 3.911 2.807 ( -3.088 -0.000 2.119) 3.745 2.898 ( -5.567 0.000 -2.048) 5.932 2.919 ( -5.570 0.000 -2.798) 6.233 2.972 ( 27.171 0.000 -1.369) 27.205 3.143 ( -3.130 -0.000 -0.049) 3.130 3.268 ( 4.426 -0.000 5.092) 6.746 3.341 ( -13.689 -0.000 0.798) 13.713 3.371 ( -1.399 0.000 -5.367) 5.546 3.400 ( -15.008 -0.000 0.665) 15.022 3.477 ( -18.811 -0.000 -0.128) 18.811 3.629 ( -4.016 0.000 -1.418) 4.259 3.646 ( -8.470 -0.000 0.513) 8.485 3.819 ( -2.190 -0.000 1.155) 2.476 4.101 ( 8.512 0.000 -0.195) 8.514 4.144 ( 8.394 0.000 0.367) 8.402 4.389 ( -3.924 -0.000 -0.515) 3.958 4.443 ( -3.347 -0.000 0.192) 3.353 4.509 ( -15.025 -0.000 -0.215) 15.026 4.534 ( -14.759 -0.000 0.141) 14.759 4.998 ( -2.438 -0.000 -0.097) 2.439 5.015 ( -1.729 -0.000 0.124) 1.734 5.779 ( -10.804 -0.000 -0.152) 10.805 5.795 ( -9.906 -0.000 0.052) 9.906 7.370 ( 1.022 0.000 -0.022) 1.022 7.374 ( 1.265 0.000 0.031) 1.265 7.916 ( 11.589 0.000 -0.016) 11.589 7.919 ( 11.543 0.000 0.031) 11.543 8.910 ( -6.995 -0.000 -0.128) 6.996 8.925 ( -6.994 -0.000 0.062) 6.994 9.219 ( 4.830 0.000 0.049) 4.830 9.221 ( 5.535 0.000 0.069) 5.536 9.374 ( 9.962 0.000 -0.114) 9.962 9.386 ( 10.232 0.000 0.039) 10.232 9.573 ( 4.841 0.000 -0.193) 4.844 9.598 ( 4.847 0.000 0.147) 4.850 9.811 ( 5.400 0.000 -0.118) 5.401 9.821 ( 4.939 0.000 0.004) 4.939 10.052 ( -0.985 0.000 -0.380) 1.055 10.126 ( -2.588 -0.000 0.625) 2.662 10.227 ( -10.565 -0.000 -0.140) 10.566 10.245 ( -10.733 -0.000 0.093) 10.734 10.740 ( -0.067 0.000 -0.016) 0.069 10.743 ( -0.491 -0.000 0.023) 0.492 11.468 ( 2.997 0.000 -0.764) 3.093 11.485 ( 1.947 0.000 -0.171) 1.955 11.488 ( 0.980 0.000 0.006) 0.980 11.590 ( 2.996 -0.000 0.717) 3.081 ======================= Grid point 232 (96/171) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( 18.201 0.000 -0.000) 18.201 1.425 ( 27.821 0.000 -0.000) 27.821 1.582 ( 17.974 0.000 -0.000) 17.974 1.685 ( 13.568 0.000 -0.000) 13.568 2.591 ( -1.475 -0.000 0.000) 1.475 2.654 ( 18.473 0.000 -0.000) 18.473 2.798 ( 4.022 0.000 -0.000) 4.022 2.817 ( -3.778 -0.000 0.000) 3.778 2.890 ( -6.260 -0.000 0.000) 6.260 2.907 ( -5.511 -0.000 0.000) 5.511 2.966 ( 28.089 0.000 -0.000) 28.089 3.143 ( -3.452 -0.000 0.000) 3.452 3.297 ( 4.516 0.000 -0.000) 4.516 3.340 ( -1.255 -0.000 0.000) 1.255 3.343 ( -15.045 -0.000 0.000) 15.045 3.403 ( -14.004 -0.000 0.000) 14.004 3.477 ( -19.049 -0.000 0.000) 19.049 3.623 ( -4.291 -0.000 0.000) 4.291 3.648 ( -8.290 -0.000 0.000) 8.290 3.824 ( -2.115 -0.000 0.000) 2.115 4.100 ( 8.502 0.000 -0.000) 8.502 4.146 ( 8.366 0.000 -0.000) 8.366 4.387 ( -3.952 -0.000 0.000) 3.952 4.444 ( -3.347 -0.000 0.000) 3.347 4.508 ( -15.050 -0.000 0.000) 15.050 4.535 ( -14.758 -0.000 0.000) 14.758 4.998 ( -2.458 -0.000 0.000) 2.458 5.016 ( -1.715 -0.000 0.000) 1.715 5.778 ( -10.831 -0.000 0.000) 10.831 5.795 ( -9.888 -0.000 0.000) 9.888 7.370 ( 1.015 0.000 -0.000) 1.015 7.374 ( 1.270 0.000 -0.000) 1.270 7.915 ( 11.591 0.000 -0.000) 11.591 7.919 ( 11.542 0.000 -0.000) 11.542 8.909 ( -6.992 -0.000 0.000) 6.992 8.925 ( -6.990 -0.000 0.000) 6.990 9.219 ( 4.804 0.000 -0.000) 4.804 9.221 ( 5.546 0.000 -0.000) 5.546 9.374 ( 9.951 0.000 -0.000) 9.951 9.386 ( 10.235 0.000 -0.000) 10.235 9.572 ( 4.840 0.000 -0.000) 4.840 9.599 ( 4.847 0.000 -0.000) 4.847 9.811 ( 5.406 0.000 -0.000) 5.406 9.821 ( 4.921 0.000 -0.000) 4.921 10.051 ( -0.994 -0.000 0.000) 0.994 10.129 ( -2.691 -0.000 0.000) 2.691 10.227 ( -10.566 -0.000 0.000) 10.566 10.246 ( -10.740 -0.000 0.000) 10.740 10.740 ( -0.057 -0.000 0.000) 0.057 10.743 ( -0.503 -0.000 0.000) 0.503 11.465 ( 3.087 0.000 -0.000) 3.087 11.484 ( 1.871 0.000 -0.000) 1.871 11.488 ( 0.960 0.000 -0.000) 0.960 11.592 ( 2.974 0.000 -0.000) 2.974 ======================= Grid point 236 (97/171) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( -0.000 19.279 5.744) 20.116 0.942 ( -0.000 19.804 3.288) 20.075 1.187 ( -0.000 16.006 -2.995) 16.284 1.233 ( 0.000 -1.895 -7.182) 7.428 1.786 ( -0.000 40.049 2.388) 40.121 1.851 ( -0.000 29.659 0.309) 29.661 2.669 ( 0.000 -4.673 -0.221) 4.678 2.725 ( 0.000 -4.062 -1.159) 4.224 2.878 ( 0.000 1.306 -0.418) 1.371 2.928 ( 0.000 -0.490 -4.904) 4.929 3.099 ( -0.000 -1.879 2.876) 3.435 3.151 ( 0.000 -2.847 -6.177) 6.802 3.337 ( 0.000 -6.740 -0.752) 6.782 3.338 ( 0.000 -8.719 -4.158) 9.659 3.492 ( -0.000 0.876 5.482) 5.551 3.709 ( 0.000 -0.890 -0.261) 0.927 3.816 ( 0.000 -1.772 -0.551) 1.855 3.861 ( 0.000 -1.112 -1.080) 1.550 3.943 ( -0.000 3.236 0.442) 3.266 3.952 ( -0.000 2.930 0.156) 2.934 4.173 ( 0.000 -16.929 0.019) 16.929 4.181 ( 0.000 -18.239 -0.266) 18.241 4.459 ( -0.000 -2.094 0.524) 2.159 4.506 ( 0.000 -2.833 -0.800) 2.944 4.933 ( 0.000 -8.609 0.078) 8.609 4.939 ( 0.000 -8.600 -0.115) 8.601 5.022 ( 0.000 -5.095 0.016) 5.095 5.026 ( 0.000 -4.383 -0.093) 4.384 6.023 ( 0.000 -6.226 0.606) 6.255 6.066 ( 0.000 -6.432 -0.661) 6.466 7.402 ( -0.000 -0.125 0.068) 0.142 7.409 ( 0.000 -0.290 -0.119) 0.314 7.571 ( -0.000 9.562 0.369) 9.569 7.590 ( -0.000 9.865 -0.152) 9.866 8.992 ( 0.000 -1.007 0.193) 1.025 9.006 ( 0.000 -0.028 -0.197) 0.199 9.057 ( -0.000 8.314 0.015) 8.314 9.063 ( -0.000 8.235 -0.166) 8.237 9.089 ( -0.000 0.292 0.550) 0.623 9.126 ( 0.000 1.415 -0.560) 1.522 9.543 ( -0.000 4.430 0.121) 4.432 9.548 ( -0.000 5.608 0.357) 5.619 9.550 ( -0.000 6.945 -0.059) 6.946 9.569 ( -0.000 2.902 -0.266) 2.914 10.094 ( -0.000 -0.591 1.329) 1.454 10.206 ( 0.000 -2.590 -2.417) 3.542 10.542 ( 0.000 -8.850 0.204) 8.852 10.556 ( 0.000 -8.946 -0.227) 8.949 10.777 ( -0.000 -0.161 0.261) 0.307 10.798 ( 0.000 -0.386 -0.368) 0.533 11.330 ( -0.000 2.809 0.851) 2.935 11.364 ( -0.000 2.105 0.013) 2.105 11.475 ( -0.000 4.047 -0.493) 4.077 11.491 ( 0.000 2.757 -0.650) 2.833 ======================= Grid point 237 (98/171) ======================= q-point: ( 0.50 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( -4.982 20.951 3.009) 21.745 1.147 ( -2.992 12.600 0.267) 12.953 1.246 ( -0.001 13.207 -1.199) 13.261 1.369 ( -3.600 16.183 -3.003) 16.848 2.227 ( -9.349 24.071 -0.569) 25.829 2.290 ( -11.888 30.086 -2.409) 32.439 2.649 ( -0.583 3.858 2.391) 4.576 2.705 ( -0.931 -0.247 1.927) 2.154 2.875 ( 1.422 1.423 -2.941) 3.563 2.914 ( -0.292 -1.151 -0.762) 1.411 3.027 ( 2.244 -1.927 -1.979) 3.559 3.173 ( -3.239 -2.537 -2.058) 4.600 3.195 ( 3.027 -6.316 -2.325) 7.380 3.297 ( -2.143 -7.995 -2.424) 8.624 3.502 ( 2.319 0.212 4.974) 5.492 3.688 ( 0.589 -3.882 1.159) 4.093 3.735 ( 4.627 -2.352 -0.711) 5.239 3.811 ( 2.575 -2.491 -1.155) 3.764 3.901 ( 9.031 -18.843 -0.270) 20.897 3.926 ( 5.494 -16.507 -0.073) 17.397 4.008 ( -1.231 4.069 0.349) 4.265 4.031 ( -3.483 4.439 -0.591) 5.673 4.438 ( 0.018 -2.742 -0.260) 2.755 4.487 ( -0.966 -3.321 -0.078) 3.459 4.754 ( 7.193 -11.156 0.066) 13.274 4.759 ( 7.134 -11.238 -0.099) 13.312 5.009 ( -2.716 -5.043 0.110) 5.729 5.017 ( -2.751 -4.454 -0.191) 5.238 5.933 ( 2.756 -7.250 0.149) 7.757 5.978 ( 1.913 -7.386 -0.149) 7.631 7.405 ( -0.282 0.239 0.119) 0.388 7.411 ( -0.523 0.043 -0.131) 0.541 7.704 ( -3.462 10.307 0.339) 10.878 7.721 ( -3.043 10.697 -0.243) 11.124 8.955 ( 2.004 -4.225 -0.168) 4.679 8.966 ( 1.580 -4.430 0.186) 4.707 9.114 ( -0.586 5.953 0.243) 5.987 9.133 ( -0.201 6.572 -0.231) 6.579 9.196 ( -3.998 7.970 0.022) 8.917 9.201 ( -3.939 6.335 -0.139) 7.461 9.576 ( -0.216 4.320 0.181) 4.329 9.593 ( -0.254 4.477 -0.146) 4.487 9.653 ( -3.575 5.235 0.075) 6.340 9.662 ( -3.612 5.311 0.121) 6.424 10.090 ( 0.357 -0.306 0.826) 0.951 10.164 ( 0.866 -1.966 -2.321) 3.162 10.424 ( 2.839 -9.288 0.183) 9.714 10.437 ( 2.685 -9.524 -0.188) 9.897 10.768 ( 0.826 -0.046 0.237) 0.860 10.782 ( 1.114 -0.212 -0.300) 1.173 11.376 ( -1.460 2.722 0.998) 3.246 11.401 ( -1.609 1.954 0.372) 2.558 11.517 ( -0.490 2.889 -0.897) 3.065 11.525 ( -0.980 3.174 -0.514) 3.362 ======================= Grid point 238 (99/171) ======================= q-point: ( 0.60 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( -7.971 17.985 -1.063) 19.701 1.393 ( -10.721 18.966 0.732) 21.798 1.471 ( -5.628 16.892 1.281) 17.851 1.613 ( -6.565 15.558 -1.757) 16.978 2.513 ( -3.067 4.514 -4.354) 6.982 2.576 ( -6.213 7.754 -1.769) 10.092 2.760 ( -1.438 2.505 4.031) 4.958 2.844 ( 1.607 -0.768 -1.944) 2.636 2.888 ( 2.099 -0.307 0.957) 2.328 2.971 ( -11.217 20.744 1.199) 23.613 2.993 ( -0.805 -2.333 0.077) 2.469 3.089 ( 0.860 -2.344 1.579) 2.954 3.199 ( -2.795 2.143 -2.369) 4.245 3.248 ( -2.103 -5.683 -2.777) 6.666 3.409 ( 7.272 -12.383 -0.370) 14.365 3.502 ( 8.928 -13.585 1.944) 16.372 3.528 ( 11.692 -10.882 0.396) 15.977 3.656 ( 1.573 -3.953 -0.837) 4.336 3.702 ( 3.063 -3.417 1.935) 4.980 3.796 ( 0.691 0.258 -1.612) 1.772 4.109 ( -3.681 6.873 0.846) 7.842 4.151 ( -3.768 7.397 -1.042) 8.366 4.400 ( 0.362 -3.673 -0.597) 3.738 4.460 ( 0.265 -3.572 0.249) 3.591 4.494 ( 7.845 -13.079 0.175) 15.252 4.502 ( 7.332 -12.851 -0.158) 14.796 4.990 ( 1.361 -2.093 0.321) 2.518 5.004 ( 1.142 -1.661 -0.373) 2.050 5.789 ( 3.476 -9.441 -0.409) 10.069 5.848 ( 3.136 -9.540 0.383) 10.050 7.416 ( -0.203 0.686 0.177) 0.737 7.423 ( -0.380 0.475 -0.178) 0.634 7.897 ( -6.091 10.492 0.167) 12.133 7.906 ( -5.562 10.784 -0.153) 12.135 8.848 ( 3.565 -6.166 -0.174) 7.125 8.868 ( 3.201 -6.679 0.168) 7.408 9.197 ( -1.421 6.028 -0.105) 6.194 9.213 ( -1.543 5.827 0.039) 6.028 9.355 ( -5.624 7.236 -0.074) 9.165 9.363 ( -5.686 7.721 0.114) 9.590 9.628 ( -0.708 3.735 -0.077) 3.802 9.648 ( -0.761 4.159 0.054) 4.228 9.771 ( -4.129 4.096 0.317) 5.825 9.781 ( -4.308 4.137 -0.234) 5.977 10.080 ( 0.736 -0.347 0.614) 1.019 10.121 ( 1.265 -1.479 -1.661) 2.559 10.264 ( 4.686 -8.904 -0.052) 10.062 10.277 ( 4.619 -8.889 0.016) 10.018 10.752 ( 0.927 -0.086 0.046) 0.933 10.760 ( 1.058 0.056 -0.063) 1.061 11.434 ( -1.781 1.950 0.774) 2.752 11.453 ( -1.880 1.408 0.737) 2.461 11.546 ( -0.363 2.023 -1.064) 2.314 11.573 ( -1.306 2.464 -0.427) 2.821 ======================= Grid point 239 (100/171) ======================= q-point: ( 0.70 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( -12.522 18.231 -1.066) 22.143 1.736 ( -7.688 12.801 -0.193) 14.933 1.839 ( -13.515 19.838 0.981) 24.024 1.873 ( -5.980 13.268 -0.262) 14.556 2.541 ( -0.346 0.724 -2.971) 3.077 2.687 ( -1.308 1.812 0.279) 2.252 2.761 ( 4.209 -5.018 0.482) 6.567 2.783 ( 0.578 -1.435 0.895) 1.787 2.842 ( 2.119 -0.872 -3.248) 3.974 2.924 ( 4.644 -0.841 -0.135) 4.721 2.962 ( 7.371 -10.323 2.921) 13.017 3.037 ( 6.315 -9.193 -1.830) 11.302 3.149 ( 11.929 -14.951 1.173) 19.163 3.200 ( -2.707 -7.898 -0.516) 8.365 3.356 ( -7.987 6.230 0.447) 10.139 3.377 ( 1.667 0.461 1.158) 2.081 3.461 ( -8.068 5.447 -2.624) 10.082 3.622 ( -0.194 -0.107 -0.211) 0.306 3.654 ( -1.262 2.274 2.012) 3.288 3.823 ( -3.440 1.696 -1.124) 3.997 4.220 ( 7.126 -11.300 0.271) 13.362 4.233 ( 3.355 -7.610 -0.120) 8.317 4.289 ( -2.702 4.793 -0.073) 5.502 4.328 ( -3.198 7.051 -0.369) 7.751 4.366 ( -1.617 -0.880 -0.407) 1.885 4.422 ( 0.025 -3.463 0.321) 3.478 4.908 ( 9.079 3.798 0.419) 9.850 4.927 ( 8.919 4.234 -0.463) 9.884 5.642 ( -0.468 -12.771 -0.387) 12.785 5.697 ( 0.409 -12.964 0.299) 12.974 7.423 ( 0.433 0.753 0.213) 0.894 7.428 ( 0.376 0.570 -0.219) 0.717 8.112 ( -5.405 10.150 -0.020) 11.499 8.114 ( -5.078 10.379 0.017) 11.555 8.719 ( 2.467 -7.666 -0.092) 8.053 8.735 ( 2.612 -8.380 0.059) 8.778 9.272 ( -0.270 5.477 -0.191) 5.487 9.290 ( -0.490 5.169 0.166) 5.195 9.533 ( -6.667 6.010 -0.063) 8.976 9.545 ( -6.727 6.072 0.101) 9.062 9.665 ( 0.236 2.527 -0.274) 2.553 9.692 ( 0.255 3.185 0.195) 3.201 9.872 ( -3.210 2.324 -0.019) 3.963 9.888 ( -3.631 2.552 -0.114) 4.440 10.051 ( 2.979 -2.207 0.150) 3.710 10.056 ( 3.998 -3.972 -0.198) 5.639 10.101 ( 3.460 -5.957 -0.012) 6.889 10.119 ( 3.152 -5.066 -0.550) 5.992 10.737 ( 0.568 -0.133 -0.081) 0.589 10.746 ( 0.682 0.202 0.080) 0.715 11.479 ( -1.274 1.039 0.357) 1.682 11.495 ( -1.206 0.724 0.880) 1.659 11.559 ( 0.208 1.068 -1.363) 1.744 11.614 ( -0.931 1.621 0.028) 1.870 ======================= Grid point 240 (101/171) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( -0.858 7.910 -0.286) 7.962 1.983 ( 4.366 8.381 -0.253) 9.454 2.042 ( 1.139 9.015 -0.428) 9.097 2.165 ( 2.865 9.432 0.617) 9.877 2.528 ( -0.638 0.115 -2.234) 2.326 2.607 ( -1.536 -8.347 -0.051) 8.487 2.684 ( -2.242 -1.708 -0.368) 2.842 2.698 ( -0.602 0.447 -0.730) 1.046 2.798 ( -2.902 -1.865 0.262) 3.460 2.846 ( 0.726 0.199 0.870) 1.150 2.881 ( 2.014 -6.914 0.013) 7.202 2.937 ( -1.933 3.070 -0.432) 3.654 2.955 ( 1.818 -1.529 0.301) 2.395 3.189 ( -4.641 -6.506 -0.012) 7.992 3.335 ( 0.939 -1.052 -1.219) 1.864 3.494 ( -3.688 0.482 1.044) 3.863 3.515 ( -1.943 -1.592 -0.958) 2.689 3.552 ( 3.136 -4.382 -0.253) 5.395 3.867 ( 1.118 -2.035 0.626) 2.405 3.878 ( -1.398 -0.340 -0.727) 1.612 4.033 ( -5.195 -3.956 1.322) 6.662 4.095 ( -2.064 -4.054 -1.074) 4.674 4.311 ( -1.602 -2.974 -0.545) 3.422 4.389 ( -0.825 -2.713 0.177) 2.841 4.452 ( 2.082 3.260 0.232) 3.875 4.465 ( 2.265 3.606 -0.195) 4.262 4.808 ( 8.421 14.304 -0.084) 16.599 4.837 ( 8.025 15.416 0.033) 17.380 5.569 ( -6.683 -13.313 -0.237) 14.898 5.606 ( -5.885 -13.665 0.131) 14.879 7.415 ( 1.126 0.297 0.127) 1.171 7.419 ( 1.095 0.421 -0.129) 1.180 8.226 ( 3.959 6.522 0.305) 7.636 8.232 ( 3.668 6.278 -0.315) 7.278 8.658 ( -4.949 -5.467 -0.057) 7.375 8.665 ( -5.043 -5.993 0.033) 7.832 9.307 ( 1.910 4.210 -0.105) 4.624 9.325 ( 1.905 3.863 0.126) 4.309 9.651 ( 1.700 0.408 -0.131) 1.753 9.662 ( 0.391 1.525 -0.082) 1.577 9.705 ( -1.965 3.901 0.014) 4.367 9.711 ( 0.325 3.158 0.091) 3.176 9.886 ( 1.111 -3.843 -0.063) 4.001 9.895 ( 0.824 -4.719 -0.059) 4.791 9.975 ( -0.471 0.920 0.493) 1.145 9.987 ( -0.567 1.418 -0.700) 1.680 10.050 ( -0.083 -1.763 0.737) 1.913 10.064 ( 0.068 -1.766 -0.948) 2.005 10.731 ( 0.025 -0.036 -0.058) 0.073 10.740 ( 0.317 0.213 0.059) 0.387 11.501 ( -0.362 0.328 0.033) 0.489 11.515 ( -0.100 0.160 0.802) 0.824 11.549 ( 1.084 0.240 -1.366) 1.760 11.636 ( 0.005 0.837 0.332) 0.900 ======================= Grid point 241 (102/171) ======================= q-point: (-0.10 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.759 ( 21.006 -0.938 -0.570) 21.035 1.880 ( 15.422 0.769 0.028) 15.441 1.887 ( 12.890 1.148 0.170) 12.942 1.905 ( 20.518 -0.957 0.012) 20.540 2.564 ( -1.954 0.308 -0.814) 2.139 2.743 ( -3.291 1.228 0.860) 3.617 2.766 ( -4.636 1.893 0.533) 5.036 2.789 ( -6.148 0.485 -1.191) 6.281 2.824 ( -3.946 -2.276 -0.202) 4.560 2.876 ( 5.402 -0.915 -0.247) 5.484 2.937 ( -15.925 3.576 -0.281) 16.324 3.051 ( -5.213 3.937 -0.425) 6.547 3.091 ( -20.963 2.319 0.592) 21.099 3.239 ( -6.954 -4.125 0.359) 8.093 3.318 ( 0.346 0.391 -0.847) 0.995 3.424 ( 5.802 -4.240 -0.345) 7.195 3.488 ( 13.435 -3.506 0.979) 13.920 3.552 ( -3.539 -0.280 -0.282) 3.562 3.592 ( 3.798 -3.892 -1.094) 5.548 3.849 ( 3.828 -0.527 0.689) 3.925 4.243 ( -14.407 -0.522 0.227) 14.418 4.262 ( -9.036 1.472 -0.317) 9.160 4.299 ( 6.582 -1.128 0.081) 6.678 4.314 ( 7.089 0.791 -0.261) 7.138 4.336 ( 0.980 -1.965 -0.166) 2.202 4.402 ( -2.452 -2.012 0.137) 3.175 4.911 ( -1.086 11.121 -0.100) 11.174 4.943 ( -0.501 10.946 0.095) 10.958 5.617 ( -10.566 -7.150 -0.116) 12.758 5.643 ( -10.132 -7.085 0.053) 12.364 7.393 ( 1.381 -0.114 0.001) 1.386 7.399 ( 1.451 0.104 0.000) 1.454 8.116 ( 10.669 0.607 0.227) 10.689 8.118 ( 10.650 0.533 -0.225) 10.665 8.768 ( -8.802 -0.531 -0.043) 8.819 8.778 ( -9.310 -0.745 0.022) 9.340 9.287 ( 3.991 2.323 -0.019) 4.618 9.300 ( 4.263 1.952 0.054) 4.689 9.557 ( 8.700 -2.160 -0.018) 8.964 9.563 ( 7.677 -1.810 -0.057) 7.888 9.659 ( 5.256 0.080 -0.058) 5.257 9.677 ( 4.235 0.589 0.056) 4.276 9.883 ( 0.725 -0.657 -0.030) 0.979 9.886 ( 1.798 -0.647 -0.028) 1.911 10.024 ( -2.188 0.877 -0.158) 2.362 10.049 ( -6.823 1.436 -0.091) 6.973 10.080 ( -6.139 -0.263 0.247) 6.149 10.085 ( -3.537 -0.750 -0.140) 3.618 10.734 ( -0.381 0.055 -0.012) 0.385 10.739 ( 0.057 0.139 0.014) 0.151 11.500 ( 0.699 0.189 -0.083) 0.729 11.509 ( 1.112 -0.145 0.689) 1.316 11.517 ( 1.786 -0.325 -1.037) 2.091 11.630 ( 1.409 0.203 0.289) 1.452 ======================= Grid point 247 (103/171) ======================= q-point: ( 0.50 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( -0.000 16.197 8.544) 18.312 0.971 ( -0.000 18.183 3.801) 18.576 1.159 ( 0.000 16.628 -4.087) 17.123 1.168 ( 0.000 2.159 -8.998) 9.253 1.806 ( -0.000 37.632 2.665) 37.726 1.852 ( -0.000 29.367 -0.083) 29.368 2.669 ( 0.000 -4.100 0.377) 4.117 2.715 ( 0.000 -3.475 -1.335) 3.723 2.869 ( 0.000 1.743 -1.886) 2.568 2.890 ( 0.000 -0.190 -4.561) 4.565 3.116 ( 0.000 -3.525 -2.733) 4.460 3.119 ( -0.000 -1.987 1.936) 2.774 3.308 ( 0.000 -8.880 -3.386) 9.503 3.325 ( 0.000 -6.712 -2.022) 7.010 3.536 ( -0.000 1.606 5.848) 6.064 3.697 ( 0.000 1.351 -2.937) 3.233 3.816 ( 0.000 -3.145 0.553) 3.193 3.852 ( 0.000 -1.558 -1.255) 2.000 3.946 ( -0.000 3.146 0.442) 3.177 3.953 ( -0.000 2.865 0.083) 2.866 4.173 ( 0.000 -16.979 0.029) 16.979 4.178 ( 0.000 -17.951 -0.298) 17.954 4.465 ( -0.000 -2.267 0.805) 2.405 4.498 ( 0.000 -2.789 -1.049) 2.980 4.933 ( 0.000 -8.599 0.117) 8.599 4.938 ( 0.000 -8.593 -0.155) 8.594 5.022 ( 0.000 -5.009 0.037) 5.009 5.025 ( 0.000 -4.491 -0.112) 4.493 6.029 ( 0.000 -6.222 0.847) 6.279 6.060 ( 0.000 -6.374 -0.902) 6.437 7.403 ( -0.000 -0.137 0.103) 0.172 7.408 ( 0.000 -0.257 -0.154) 0.300 7.574 ( -0.000 9.583 0.488) 9.596 7.589 ( -0.000 9.777 -0.284) 9.781 8.994 ( -0.000 -0.886 0.270) 0.926 9.004 ( 0.000 -0.203 -0.280) 0.346 9.057 ( -0.000 8.234 0.054) 8.234 9.062 ( -0.000 8.207 -0.203) 8.210 9.094 ( -0.000 0.579 0.755) 0.951 9.121 ( 0.000 1.349 -0.764) 1.551 9.545 ( -0.000 5.111 0.150) 5.113 9.549 ( -0.000 6.718 -0.095) 6.718 9.551 ( -0.000 4.958 0.478) 4.981 9.567 ( -0.000 3.212 -0.383) 3.235 10.106 ( -0.000 -1.235 1.784) 2.170 10.185 ( 0.000 -2.454 -2.912) 3.808 10.543 ( 0.000 -8.859 0.280) 8.864 10.554 ( 0.000 -8.919 -0.316) 8.925 10.780 ( -0.000 -0.183 0.376) 0.418 10.795 ( 0.000 -0.345 -0.482) 0.593 11.337 ( -0.000 2.913 1.068) 3.102 11.363 ( -0.000 2.392 -0.226) 2.403 11.472 ( -0.000 3.803 -0.315) 3.816 11.485 ( 0.000 2.823 -0.813) 2.937 ======================= Grid point 248 (104/171) ======================= q-point: ( 0.60 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( -4.240 18.630 4.149) 19.552 1.138 ( -2.555 10.786 -2.594) 11.384 1.246 ( -0.966 16.742 1.277) 16.818 1.343 ( -3.617 17.084 -3.489) 17.808 2.225 ( -9.249 23.301 0.076) 25.070 2.269 ( -10.729 26.400 -2.805) 28.634 2.668 ( -0.637 6.588 2.143) 6.957 2.725 ( -2.138 2.742 3.019) 4.605 2.852 ( 1.482 1.627 -2.700) 3.483 2.904 ( -1.039 0.591 -2.121) 2.435 3.011 ( 2.953 -2.302 -1.558) 4.056 3.149 ( -0.553 -3.487 -3.346) 4.865 3.197 ( -0.548 -6.554 1.965) 6.864 3.275 ( -1.877 -7.878 -3.190) 8.704 3.540 ( 3.481 -0.147 4.402) 5.613 3.686 ( 0.116 -2.051 -1.483) 2.534 3.738 ( 4.585 -3.465 1.354) 5.904 3.801 ( 1.796 -2.768 -1.422) 3.593 3.900 ( 9.244 -18.791 -0.144) 20.942 3.925 ( 5.548 -16.400 -0.127) 17.314 4.012 ( -1.497 4.235 0.478) 4.517 4.026 ( -2.923 4.331 -0.665) 5.267 4.436 ( 0.316 -2.681 -0.205) 2.707 4.487 ( -1.275 -3.387 -0.060) 3.620 4.755 ( 7.183 -11.176 0.092) 13.285 4.758 ( 7.145 -11.214 -0.118) 13.298 5.010 ( -2.713 -4.917 0.143) 5.617 5.016 ( -2.768 -4.592 -0.207) 5.366 5.934 ( 3.097 -7.282 0.130) 7.915 5.977 ( 1.584 -7.318 -0.130) 7.489 7.406 ( -0.318 0.215 0.147) 0.411 7.410 ( -0.497 0.072 -0.157) 0.526 7.707 ( -3.350 10.350 0.389) 10.885 7.719 ( -3.129 10.614 -0.313) 11.070 8.954 ( 2.181 -4.254 -0.108) 4.782 8.967 ( 1.421 -4.343 0.122) 4.571 9.116 ( -0.307 6.224 0.229) 6.235 9.131 ( -0.406 6.207 -0.217) 6.224 9.196 ( -4.058 7.919 0.035) 8.898 9.199 ( -3.968 6.481 -0.133) 7.601 9.577 ( -0.204 4.204 0.166) 4.212 9.592 ( -0.279 4.508 -0.142) 4.519 9.653 ( -3.609 5.438 0.077) 6.527 9.663 ( -3.509 5.267 0.083) 6.330 10.098 ( 0.454 -0.595 1.297) 1.498 10.145 ( 0.764 -1.620 -2.491) 3.069 10.425 ( 2.871 -9.361 0.203) 9.794 10.435 ( 2.657 -9.427 -0.217) 9.796 10.770 ( 0.875 -0.087 0.307) 0.932 10.779 ( 1.047 -0.159 -0.357) 1.118 11.384 ( -1.374 2.715 0.929) 3.182 11.404 ( -1.728 2.191 0.251) 2.801 11.511 ( -0.409 2.853 -0.788) 2.988 11.521 ( -1.023 3.119 -0.433) 3.311 ======================= Grid point 249 (105/171) ======================= q-point: ( 0.70 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( -7.533 17.835 -0.588) 19.370 1.397 ( -10.861 19.334 0.393) 22.179 1.480 ( -5.581 16.014 0.961) 16.986 1.601 ( -6.790 16.475 -1.244) 17.863 2.486 ( -2.879 4.785 -2.452) 6.099 2.565 ( -6.768 8.390 -1.089) 10.834 2.788 ( -0.709 2.017 3.212) 3.859 2.828 ( 0.801 0.303 -2.078) 2.247 2.896 ( 3.030 -1.710 1.037) 3.630 2.972 ( -3.757 11.633 -0.703) 12.245 2.996 ( -6.758 5.301 0.702) 8.618 3.103 ( -2.260 1.682 1.724) 3.303 3.186 ( -2.222 1.901 -0.766) 3.022 3.225 ( -2.136 -6.034 -2.912) 7.032 3.407 ( 8.273 -14.334 -0.188) 16.552 3.516 ( 9.633 -13.934 1.422) 17.000 3.530 ( 11.032 -9.804 0.059) 14.759 3.650 ( 1.133 -3.450 -0.588) 3.679 3.716 ( 3.612 -3.043 1.597) 4.985 3.784 ( 0.220 -0.081 -1.426) 1.445 4.116 ( -3.667 6.962 0.839) 7.913 4.143 ( -3.781 7.434 -0.960) 8.396 4.396 ( 0.433 -3.676 -0.349) 3.718 4.462 ( 0.283 -3.590 0.133) 3.604 4.496 ( 7.846 -13.035 0.176) 15.215 4.500 ( 7.220 -12.894 -0.163) 14.779 4.993 ( 1.342 -1.975 0.341) 2.412 5.001 ( 1.147 -1.791 -0.372) 2.159 5.787 ( 3.582 -9.428 -0.232) 10.088 5.850 ( 3.057 -9.548 0.216) 10.028 7.417 ( -0.227 0.671 0.182) 0.731 7.421 ( -0.355 0.490 -0.182) 0.632 7.898 ( -5.980 10.523 0.135) 12.104 7.905 ( -5.662 10.748 -0.126) 12.149 8.847 ( 3.576 -6.092 -0.097) 7.065 8.869 ( 3.211 -6.746 0.093) 7.471 9.196 ( -1.268 6.126 -0.065) 6.256 9.213 ( -1.695 5.738 0.024) 5.983 9.355 ( -5.622 7.229 -0.038) 9.158 9.364 ( -5.705 7.739 0.063) 9.614 9.627 ( -0.682 3.598 -0.049) 3.662 9.649 ( -0.777 4.278 0.034) 4.348 9.774 ( -4.097 4.085 0.335) 5.795 9.779 ( -4.257 4.151 -0.285) 5.953 10.087 ( 0.818 -0.520 0.978) 1.376 10.108 ( 1.088 -1.098 -1.619) 2.238 10.264 ( 4.748 -9.014 -0.019) 10.187 10.277 ( 4.596 -8.798 -0.005) 9.926 10.753 ( 0.982 -0.170 0.032) 0.998 10.760 ( 0.994 0.144 -0.042) 1.006 11.439 ( -1.692 1.893 0.420) 2.574 11.459 ( -1.939 1.527 0.660) 2.555 11.538 ( -0.282 1.944 -0.824) 2.130 11.571 ( -1.378 2.517 -0.246) 2.880 ======================= Grid point 250 (106/171) ======================= q-point: ( 0.80 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( -12.415 18.357 -0.394) 22.164 1.735 ( -7.670 12.264 -0.059) 14.465 1.844 ( -13.785 20.038 0.370) 24.324 1.871 ( -5.854 13.566 -0.121) 14.776 2.524 ( -0.237 0.836 -1.108) 1.408 2.688 ( -1.427 2.478 0.013) 2.859 2.764 ( 3.800 -5.143 0.178) 6.397 2.795 ( 1.358 -1.417 2.315) 3.035 2.817 ( 1.934 -1.496 -3.083) 3.935 2.923 ( 4.903 -1.199 -0.091) 5.048 2.981 ( 10.875 -13.507 1.697) 17.424 3.023 ( 2.521 -5.887 -1.260) 6.527 3.155 ( 11.937 -14.936 0.404) 19.124 3.197 ( -2.665 -7.694 -0.205) 8.145 3.358 ( -7.877 7.863 0.109) 11.130 3.386 ( 2.634 -2.444 0.778) 3.677 3.445 ( -8.694 6.574 -1.225) 10.968 3.621 ( -0.155 -0.128 -0.080) 0.216 3.665 ( -0.979 2.658 0.772) 2.936 3.816 ( -3.919 1.595 -0.479) 4.258 4.222 ( 7.115 -11.155 0.126) 13.232 4.232 ( 3.781 -8.325 -0.069) 9.143 4.289 ( -3.243 5.494 -0.022) 6.380 4.326 ( -2.798 6.601 -0.152) 7.171 4.364 ( -1.854 -0.544 -0.138) 1.937 4.424 ( 0.003 -3.507 0.111) 3.509 4.911 ( 9.139 3.759 0.237) 9.885 4.924 ( 8.854 4.251 -0.254) 9.825 5.640 ( -0.466 -12.736 -0.139) 12.745 5.699 ( 0.426 -13.005 0.105) 13.013 7.424 ( 0.413 0.745 0.221) 0.880 7.426 ( 0.396 0.579 -0.223) 0.736 8.112 ( -5.475 10.128 -0.007) 11.513 8.114 ( -5.005 10.402 0.006) 11.544 8.719 ( 2.485 -7.636 -0.034) 8.030 8.735 ( 2.600 -8.409 0.021) 8.802 9.271 ( -0.250 5.506 -0.066) 5.512 9.291 ( -0.518 5.150 0.057) 5.177 9.533 ( -6.670 6.009 -0.022) 8.977 9.546 ( -6.718 6.061 0.036) 9.048 9.663 ( 0.246 2.460 -0.098) 2.475 9.694 ( 0.256 3.240 0.068) 3.250 9.872 ( -3.120 2.241 -0.011) 3.842 9.887 ( -3.685 2.611 -0.039) 4.516 10.052 ( 3.557 -3.106 0.153) 4.725 10.055 ( 3.369 -2.937 -0.171) 4.473 10.101 ( 3.025 -5.408 0.004) 6.197 10.116 ( 3.622 -5.684 -0.219) 6.743 10.737 ( 0.566 -0.158 -0.028) 0.588 10.747 ( 0.682 0.227 0.028) 0.720 11.481 ( -1.205 1.016 0.091) 1.579 11.502 ( -1.224 0.728 0.533) 1.521 11.550 ( 0.302 1.000 -0.670) 1.241 11.614 ( -1.031 1.693 0.008) 1.982 ======================= Grid point 251 (107/171) ======================= q-point: (-0.10 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( -0.922 7.882 -0.000) 7.935 1.982 ( 4.330 8.560 -0.000) 9.593 2.040 ( 1.215 8.813 -0.000) 8.896 2.167 ( 2.949 9.442 -0.000) 9.892 2.520 ( -0.741 0.158 0.000) 0.758 2.606 ( -1.240 -9.020 0.000) 9.105 2.683 ( -3.014 -1.615 0.000) 3.420 2.696 ( 0.049 1.010 -0.000) 1.011 2.800 ( -3.003 -1.958 0.000) 3.585 2.849 ( 0.703 1.091 -0.000) 1.298 2.881 ( 1.939 -7.893 0.000) 8.128 2.934 ( -2.367 3.673 0.000) 4.370 2.956 ( 2.353 -2.081 -0.000) 3.141 3.189 ( -4.686 -6.393 0.000) 7.926 3.330 ( 1.107 -1.285 -0.000) 1.696 3.498 ( -3.836 0.362 0.000) 3.853 3.511 ( -1.886 -1.409 0.000) 2.354 3.551 ( 3.253 -4.423 -0.000) 5.490 3.872 ( -6.542 3.440 0.000) 7.391 3.873 ( 6.364 -5.830 -0.000) 8.631 4.039 ( -5.933 -3.773 0.000) 7.031 4.090 ( -1.461 -4.159 0.000) 4.408 4.309 ( -1.597 -3.012 0.000) 3.409 4.389 ( -0.787 -2.640 0.000) 2.755 4.453 ( 1.989 3.098 -0.000) 3.682 4.464 ( 2.313 3.690 -0.000) 4.355 4.807 ( 8.490 14.242 -0.000) 16.581 4.837 ( 7.951 15.474 -0.000) 17.397 5.568 ( -6.676 -13.299 0.000) 14.881 5.607 ( -5.891 -13.687 0.000) 14.901 7.416 ( 1.124 0.190 -0.000) 1.140 7.419 ( 1.096 0.528 -0.000) 1.217 8.228 ( 3.949 6.566 -0.000) 7.662 8.231 ( 3.677 6.230 -0.000) 7.234 8.658 ( -4.947 -5.446 0.000) 7.358 8.665 ( -5.043 -6.010 0.000) 7.846 9.307 ( 1.904 4.221 -0.000) 4.631 9.326 ( 1.903 3.859 -0.000) 4.303 9.651 ( 1.743 0.350 -0.000) 1.778 9.662 ( 0.329 1.581 -0.000) 1.615 9.705 ( -1.991 3.899 0.000) 4.378 9.712 ( 0.377 3.144 -0.000) 3.166 9.885 ( 1.071 -3.784 0.000) 3.932 9.894 ( 0.852 -4.755 0.000) 4.831 9.978 ( -0.363 0.628 0.000) 0.725 9.984 ( -0.628 1.652 -0.000) 1.767 10.057 ( 0.490 -1.723 0.000) 1.791 10.057 ( -0.556 -1.783 0.000) 1.867 10.731 ( 0.017 -0.044 0.000) 0.047 10.740 ( 0.325 0.221 -0.000) 0.393 11.501 ( -0.323 0.334 0.000) 0.464 11.519 ( -0.128 0.119 0.000) 0.174 11.542 ( 1.141 0.235 -0.000) 1.165 11.637 ( -0.045 0.861 -0.000) 0.862 ======================= Grid point 258 (108/171) ======================= q-point: ( 0.60 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( -0.000 12.374 10.295) 16.097 0.992 ( 0.000 13.684 0.244) 13.686 1.103 ( -0.000 9.519 -6.276) 11.402 1.125 ( 0.000 17.331 -4.533) 17.914 1.826 ( 0.000 34.710 2.266) 34.784 1.849 ( 0.000 30.060 -0.717) 30.068 2.676 ( 0.000 -3.249 1.334) 3.512 2.703 ( 0.000 -2.850 -1.677) 3.307 2.852 ( 0.000 1.637 -1.828) 2.454 2.860 ( 0.000 0.266 -2.983) 2.995 3.108 ( 0.000 -4.065 0.606) 4.110 3.126 ( 0.000 -2.774 -0.121) 2.777 3.290 ( 0.000 -8.378 -0.986) 8.436 3.308 ( 0.000 -6.839 -2.305) 7.217 3.582 ( 0.000 2.320 5.761) 6.210 3.666 ( 0.000 2.542 -4.738) 5.377 3.823 ( 0.000 -3.362 1.120) 3.544 3.842 ( 0.000 -2.167 -1.278) 2.516 3.950 ( -0.000 3.043 0.359) 3.064 3.953 ( -0.000 2.868 -0.066) 2.868 4.174 ( 0.000 -17.110 0.079) 17.110 4.176 ( 0.000 -17.631 -0.256) 17.633 4.472 ( 0.000 -2.451 1.034) 2.660 4.490 ( 0.000 -2.719 -1.170) 2.960 4.935 ( 0.000 -8.590 0.150) 8.591 4.937 ( 0.000 -8.587 -0.174) 8.589 5.023 ( -0.000 -4.895 0.064) 4.896 5.024 ( -0.000 -4.623 -0.109) 4.624 6.036 ( -0.000 -6.233 1.013) 6.314 6.053 ( -0.000 -6.314 -1.046) 6.400 7.404 ( -0.000 -0.158 0.135) 0.207 7.406 ( -0.000 -0.221 -0.166) 0.276 7.578 ( -0.000 9.612 0.538) 9.627 7.586 ( -0.000 9.704 -0.419) 9.713 8.996 ( 0.000 -0.735 0.324) 0.804 9.002 ( 0.000 -0.387 -0.334) 0.511 9.057 ( 0.000 8.181 0.110) 8.182 9.060 ( 0.000 8.180 -0.200) 8.182 9.100 ( -0.000 0.852 0.885) 1.229 9.114 ( -0.000 1.240 -0.891) 1.527 9.546 ( -0.000 5.629 0.158) 5.631 9.548 ( -0.000 6.416 -0.127) 6.417 9.555 ( -0.000 4.454 0.538) 4.486 9.563 ( -0.000 3.593 -0.478) 3.625 10.121 ( -0.000 -1.744 2.196) 2.805 10.162 ( -0.000 -2.292 -2.912) 3.706 10.546 ( -0.000 -8.869 0.336) 8.875 10.551 ( -0.000 -8.896 -0.364) 8.904 10.783 ( -0.000 -0.214 0.468) 0.515 10.791 ( -0.000 -0.298 -0.534) 0.611 11.346 ( 0.000 2.971 1.100) 3.168 11.360 ( 0.000 2.700 -0.598) 2.766 11.471 ( 0.000 3.477 0.103) 3.479 11.479 ( 0.000 2.950 -0.786) 3.053 ======================= Grid point 259 (109/171) ======================= q-point: ( 0.70 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( -3.457 15.703 4.776) 16.773 1.109 ( -2.673 12.479 -4.474) 13.524 1.261 ( -1.204 16.823 1.804) 16.963 1.319 ( -3.915 18.386 -2.335) 18.943 2.229 ( -9.215 23.417 0.844) 25.180 2.249 ( -10.041 23.726 -1.957) 25.838 2.680 ( -0.370 7.707 0.851) 7.763 2.746 ( -3.312 5.450 1.921) 6.660 2.838 ( 1.283 2.708 -0.817) 3.106 2.884 ( -1.054 0.825 -2.159) 2.540 3.006 ( 3.425 -3.412 -0.085) 4.836 3.129 ( -0.219 -4.179 -1.516) 4.451 3.216 ( -1.949 -6.259 2.641) 7.067 3.250 ( -1.174 -7.896 -2.885) 8.488 3.566 ( 4.812 -0.450 2.057) 5.253 3.673 ( -0.814 -1.244 -1.259) 1.949 3.749 ( 5.011 -3.448 1.080) 6.178 3.791 ( 0.812 -3.225 -0.903) 3.446 3.899 ( 9.397 -18.688 -0.040) 20.918 3.924 ( 5.549 -16.367 -0.062) 17.283 4.016 ( -1.880 4.574 0.522) 4.973 4.021 ( -2.359 4.024 -0.592) 4.702 4.435 ( 0.498 -2.644 -0.077) 2.691 4.487 ( -1.461 -3.430 -0.022) 3.729 4.756 ( 7.169 -11.217 0.106) 13.312 4.757 ( 7.160 -11.171 -0.116) 13.269 5.011 ( -2.694 -4.756 0.104) 5.467 5.014 ( -2.797 -4.760 -0.128) 5.522 5.935 ( 3.328 -7.306 0.052) 8.028 5.977 ( 1.361 -7.273 -0.052) 7.399 7.407 ( -0.341 0.198 0.121) 0.412 7.409 ( -0.480 0.093 -0.125) 0.505 7.710 ( -3.208 10.392 0.263) 10.879 7.716 ( -3.254 10.549 -0.234) 11.042 8.953 ( 2.270 -4.264 -0.037) 4.831 8.968 ( 1.343 -4.297 0.042) 4.502 9.118 ( -0.054 6.500 0.102) 6.501 9.130 ( -0.613 5.870 -0.096) 5.903 9.196 ( -4.113 7.907 0.026) 8.913 9.199 ( -3.971 6.553 -0.064) 7.662 9.578 ( -0.192 4.113 0.071) 4.118 9.591 ( -0.302 4.547 -0.062) 4.558 9.654 ( -3.622 5.561 0.033) 6.637 9.664 ( -3.451 5.241 0.028) 6.275 10.110 ( 0.560 -0.920 1.802) 2.099 10.126 ( 0.655 -1.258 -2.255) 2.664 10.427 ( 2.915 -9.444 0.111) 9.884 10.434 ( 2.615 -9.329 -0.118) 9.689 10.773 ( 0.949 -0.171 0.310) 1.013 10.776 ( 0.963 -0.068 -0.330) 1.020 11.390 ( -1.242 2.651 0.412) 2.957 11.405 ( -1.899 2.425 0.059) 3.081 11.506 ( -0.315 2.778 -0.317) 2.814 11.518 ( -1.076 3.109 -0.172) 3.295 ======================= Grid point 260 (110/171) ======================= q-point: ( 0.80 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( -7.380 17.785 -0.000) 19.255 1.399 ( -10.909 19.480 0.000) 22.327 1.484 ( -5.526 15.557 -0.000) 16.509 1.595 ( -6.904 16.932 -0.000) 18.285 2.476 ( -2.794 4.884 0.000) 5.626 2.561 ( -6.982 8.638 0.000) 11.107 2.809 ( 0.459 1.030 -0.000) 1.127 2.812 ( -0.427 1.564 -0.000) 1.621 2.901 ( 3.618 -2.581 -0.000) 4.444 2.968 ( -1.815 8.243 -0.000) 8.441 3.000 ( -8.347 8.212 0.000) 11.710 3.110 ( -4.014 4.659 0.000) 6.150 3.186 ( -1.149 1.123 0.000) 1.607 3.210 ( -2.387 -6.747 0.000) 7.157 3.406 ( 8.578 -14.967 -0.000) 17.250 3.522 ( 10.361 -15.757 -0.000) 18.858 3.529 ( 10.397 -7.833 -0.000) 13.017 3.648 ( 0.926 -3.216 0.000) 3.347 3.723 ( 4.065 -2.892 -0.000) 4.989 3.777 ( -0.206 -0.215 0.000) 0.298 4.120 ( -3.646 6.975 0.000) 7.870 4.138 ( -3.802 7.470 0.000) 8.382 4.394 ( 0.458 -3.678 0.000) 3.706 4.462 ( 0.295 -3.600 0.000) 3.612 4.497 ( 7.943 -13.001 -0.000) 15.235 4.500 ( 7.079 -12.925 -0.000) 14.737 4.994 ( 1.356 -1.866 -0.000) 2.307 4.999 ( 1.127 -1.904 -0.000) 2.212 5.786 ( 3.619 -9.423 0.000) 10.094 5.851 ( 3.029 -9.551 0.000) 10.020 7.418 ( -0.234 0.682 -0.000) 0.721 7.421 ( -0.347 0.479 0.000) 0.591 7.899 ( -5.920 10.537 0.000) 12.086 7.905 ( -5.717 10.732 0.000) 12.160 8.847 ( 3.580 -6.067 -0.000) 7.044 8.869 ( 3.214 -6.768 0.000) 7.493 9.196 ( -1.215 6.160 -0.000) 6.279 9.213 ( -1.748 5.706 -0.000) 5.968 9.355 ( -5.622 7.226 0.000) 9.156 9.364 ( -5.711 7.745 0.000) 9.623 9.627 ( -0.672 3.548 -0.000) 3.611 9.649 ( -0.783 4.320 -0.000) 4.390 9.776 ( -3.890 3.932 0.000) 5.531 9.777 ( -4.432 4.305 0.000) 6.179 10.095 ( 0.923 -0.791 -0.000) 1.215 10.097 ( 0.948 -0.749 -0.000) 1.208 10.264 ( 4.769 -9.053 -0.000) 10.233 10.277 ( 4.587 -8.764 -0.000) 9.892 10.753 ( 1.007 -0.208 -0.000) 1.028 10.759 ( 0.967 0.183 -0.000) 0.984 11.440 ( -1.647 1.869 0.000) 2.491 11.462 ( -1.994 1.579 0.000) 2.543 11.535 ( -0.228 1.917 -0.000) 1.931 11.570 ( -1.408 2.531 0.000) 2.896 ======================= Grid point 266 (111/171) ======================= q-point: ( 0.30 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( 20.218 0.000 1.161) 20.251 1.428 ( 26.191 0.000 -0.013) 26.191 1.597 ( 17.623 0.000 1.344) 17.674 1.658 ( 14.778 0.000 -2.006) 14.913 2.598 ( 3.052 -0.000 0.616) 3.113 2.634 ( 13.696 0.000 -1.457) 13.773 2.771 ( 3.453 0.000 -1.146) 3.639 2.775 ( 0.501 0.000 -1.573) 1.651 2.940 ( -3.018 -0.000 2.747) 4.081 2.965 ( -5.000 -0.000 2.109) 5.426 3.012 ( 20.731 0.000 3.718) 21.062 3.137 ( 3.007 0.000 -1.849) 3.530 3.207 ( 2.502 0.000 -1.226) 2.786 3.305 ( -7.324 0.000 -3.743) 8.225 3.397 ( -18.945 -0.000 0.644) 18.956 3.426 ( -11.897 -0.000 0.566) 11.910 3.504 ( -10.671 -0.000 4.139) 11.446 3.623 ( -6.705 0.000 -2.170) 7.048 3.672 ( -4.939 -0.000 3.421) 6.008 3.786 ( -2.767 0.000 -3.029) 4.103 4.107 ( 8.580 0.000 0.609) 8.602 4.134 ( 8.549 0.000 -0.886) 8.595 4.403 ( -3.742 -0.000 1.190) 3.927 4.437 ( -3.379 0.000 -0.684) 3.447 4.515 ( -14.877 -0.000 0.502) 14.885 4.530 ( -14.754 -0.000 -0.377) 14.759 5.001 ( -2.286 -0.000 0.272) 2.303 5.012 ( -1.843 -0.000 -0.317) 1.870 5.783 ( -10.608 -0.000 0.350) 10.613 5.793 ( -10.051 -0.000 -0.187) 10.052 7.370 ( 1.072 0.000 0.063) 1.074 7.373 ( 1.223 0.000 -0.077) 1.225 7.916 ( 11.580 0.000 0.051) 11.580 7.918 ( 11.549 0.000 -0.076) 11.549 8.913 ( -7.013 -0.000 0.305) 7.019 8.923 ( -7.016 -0.000 -0.199) 7.019 9.218 ( 5.011 0.000 -0.064) 5.011 9.219 ( 5.445 0.000 -0.128) 5.446 9.377 ( 10.037 0.000 0.259) 10.041 9.384 ( 10.204 0.000 -0.138) 10.205 9.578 ( 4.846 0.000 0.479) 4.870 9.594 ( 4.850 0.000 -0.405) 4.867 9.815 ( 5.346 0.000 0.262) 5.353 9.821 ( 5.063 0.000 -0.076) 5.064 10.064 ( -0.987 -0.000 1.080) 1.464 10.109 ( -1.940 0.000 -1.468) 2.433 10.231 ( -10.564 -0.000 0.345) 10.570 10.242 ( -10.680 -0.000 -0.274) 10.683 10.740 ( -0.146 -0.000 0.045) 0.152 10.742 ( -0.408 -0.000 -0.057) 0.412 11.482 ( 1.598 -0.000 0.497) 1.673 11.488 ( 1.116 0.000 -0.055) 1.118 11.497 ( 3.240 -0.000 1.822) 3.717 11.569 ( 3.142 0.000 -1.924) 3.684 ======================= Grid point 270 (112/171) ======================= q-point: (-0.30 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( 0.000 9.236 -9.115) 12.976 0.954 ( -0.000 9.236 9.115) 12.976 1.093 ( -0.000 17.146 -2.840) 17.379 1.093 ( -0.000 17.146 2.840) 17.379 1.841 ( -0.000 31.949 -1.432) 31.981 1.841 ( -0.000 31.949 1.432) 31.981 2.689 ( 0.000 -2.662 -1.773) 3.199 2.689 ( -0.000 -2.662 1.773) 3.199 2.846 ( -0.000 0.921 -0.292) 0.966 2.846 ( 0.000 0.921 0.292) 0.966 3.119 ( 0.000 -3.790 -1.092) 3.944 3.119 ( 0.000 -3.790 1.092) 3.944 3.292 ( 0.000 -7.415 -1.110) 7.498 3.292 ( 0.000 -7.415 1.110) 7.498 3.626 ( 0.000 2.737 -5.394) 6.049 3.626 ( -0.000 2.737 5.394) 6.049 3.832 ( 0.000 -2.849 -1.242) 3.108 3.832 ( -0.000 -2.849 1.242) 3.108 3.952 ( -0.000 2.939 -0.084) 2.940 3.952 ( -0.000 2.939 0.084) 2.940 4.175 ( 0.000 -17.335 -0.127) 17.335 4.175 ( 0.000 -17.335 0.127) 17.335 4.480 ( 0.000 -2.607 -0.966) 2.780 4.480 ( -0.000 -2.607 0.966) 2.780 4.936 ( 0.000 -8.586 -0.168) 8.587 4.936 ( 0.000 -8.586 0.168) 8.587 5.023 ( 0.000 -4.763 -0.076) 4.763 5.023 ( 0.000 -4.763 0.076) 4.763 6.044 ( 0.000 -6.264 -1.016) 6.345 6.044 ( 0.000 -6.264 1.016) 6.345 7.405 ( 0.000 -0.186 -0.157) 0.243 7.405 ( -0.000 -0.186 0.157) 0.243 7.582 ( -0.000 9.650 -0.511) 9.663 7.582 ( -0.000 9.650 0.511) 9.663 8.999 ( 0.000 -0.566 -0.346) 0.664 8.999 ( -0.000 -0.566 0.346) 0.664 9.059 ( -0.000 8.166 -0.084) 8.166 9.059 ( -0.000 8.166 0.084) 8.166 9.107 ( 0.000 1.076 -0.861) 1.378 9.107 ( -0.000 1.076 0.861) 1.378 9.547 ( -0.000 6.053 -0.040) 6.053 9.547 ( -0.000 6.053 0.040) 6.053 9.559 ( -0.000 4.010 -0.354) 4.026 9.559 ( -0.000 4.010 0.354) 4.026 10.140 ( 0.000 -2.077 -2.606) 3.333 10.140 ( -0.000 -2.077 2.606) 3.333 10.549 ( 0.000 -8.880 -0.365) 8.887 10.549 ( 0.000 -8.880 0.365) 8.887 10.787 ( 0.000 -0.253 -0.525) 0.583 10.787 ( -0.000 -0.253 0.525) 0.583 11.354 ( 0.000 2.912 -0.919) 3.054 11.354 ( -0.000 2.912 0.919) 3.054 11.474 ( -0.000 3.169 -0.527) 3.212 11.474 ( -0.000 3.169 0.527) 3.212 ======================= Grid point 277 (113/171) ======================= q-point: ( 0.30 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( 20.704 -0.588 2.770) 20.897 1.862 ( 18.442 0.225 -1.834) 18.535 1.883 ( 13.468 1.519 0.058) 13.553 1.903 ( 17.286 -0.867 -0.129) 17.308 2.624 ( -0.188 0.750 3.393) 3.480 2.699 ( -0.523 0.493 -2.337) 2.445 2.763 ( -3.346 0.948 0.423) 3.504 2.805 ( -1.417 -1.379 -0.743) 2.112 2.848 ( -3.668 1.894 1.636) 4.441 2.889 ( -1.932 0.568 0.266) 2.031 2.966 ( -18.771 3.195 2.258) 19.174 3.040 ( -19.687 2.132 -2.848) 20.006 3.089 ( -6.540 3.046 1.750) 7.424 3.211 ( -5.293 -4.977 -1.566) 7.432 3.371 ( 6.216 0.546 2.439) 6.699 3.434 ( 10.257 -2.745 -1.209) 10.687 3.470 ( 2.122 -3.622 1.848) 4.587 3.538 ( -3.585 -2.434 -1.582) 4.613 3.673 ( 4.811 -1.429 4.599) 6.807 3.791 ( 3.928 -1.683 -3.809) 5.725 4.238 ( -11.789 1.057 -0.057) 11.837 4.269 ( -11.266 -1.184 -0.045) 11.328 4.302 ( 8.652 0.813 0.432) 8.700 4.322 ( 8.755 -0.030 0.043) 8.755 4.355 ( -2.582 -1.720 1.309) 3.367 4.389 ( -2.410 -2.009 -0.913) 3.268 4.920 ( -0.942 11.099 0.555) 11.153 4.935 ( -0.579 10.941 -0.544) 10.970 5.626 ( -10.408 -7.093 0.571) 12.608 5.638 ( -10.249 -7.074 -0.405) 12.459 7.393 ( 1.424 0.188 -0.003) 1.436 7.399 ( 1.415 -0.201 -0.001) 1.429 8.112 ( 10.629 1.061 -0.112) 10.683 8.122 ( 10.734 0.090 0.106) 10.735 8.771 ( -8.917 -0.564 0.206) 8.938 8.776 ( -9.239 -0.710 -0.153) 9.267 9.289 ( 4.147 2.279 0.142) 4.734 9.296 ( 4.164 1.949 -0.232) 4.603 9.558 ( 8.327 -1.729 0.067) 8.505 9.566 ( 8.304 -2.239 0.129) 8.602 9.664 ( 4.847 0.280 0.321) 4.866 9.672 ( 4.424 0.456 -0.317) 4.459 9.885 ( 1.039 -0.471 0.076) 1.143 9.888 ( 1.418 -0.768 0.079) 1.615 10.035 ( -3.912 1.292 0.558) 4.157 10.054 ( -4.136 1.572 0.189) 4.429 10.070 ( -6.058 -0.604 -0.338) 6.098 10.087 ( -3.863 -0.891 -0.040) 3.964 10.735 ( -0.231 0.116 0.060) 0.265 10.738 ( -0.088 0.078 -0.064) 0.134 11.498 ( 0.497 0.333 -0.156) 0.618 11.506 ( 0.512 -0.400 0.213) 0.684 11.555 ( 2.226 0.036 2.042) 3.021 11.605 ( 1.798 0.042 -1.728) 2.494 ======================= Grid point 278 (114/171) ======================= q-point: ( 0.40 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( 21.680 -0.000 1.056) 21.706 1.426 ( 24.887 0.000 -0.349) 24.890 1.610 ( 17.122 0.000 1.792) 17.215 1.642 ( 15.571 0.000 -2.204) 15.726 2.604 ( 5.688 -0.000 0.906) 5.760 2.622 ( 11.055 0.000 -1.434) 11.147 2.764 ( 3.444 -0.000 -0.579) 3.493 2.765 ( 2.106 0.000 -0.803) 2.254 2.959 ( -2.585 0.000 2.140) 3.356 2.975 ( -4.098 -0.000 0.433) 4.121 3.044 ( 16.860 -0.000 4.372) 17.418 3.113 ( 9.231 0.000 -3.999) 10.060 3.213 ( -1.680 0.000 2.427) 2.952 3.273 ( -5.447 -0.000 -4.375) 6.987 3.404 ( -18.921 -0.000 1.173) 18.957 3.424 ( -16.131 0.000 -0.942) 16.158 3.540 ( -7.620 0.000 4.695) 8.950 3.603 ( -6.708 -0.000 -3.135) 7.404 3.700 ( -4.326 0.000 3.812) 5.766 3.760 ( -3.229 0.000 -3.594) 4.832 4.112 ( 8.619 0.000 0.800) 8.656 4.127 ( 8.613 0.000 -0.971) 8.667 4.412 ( -3.627 0.000 1.261) 3.840 4.430 ( -3.434 -0.000 -0.954) 3.564 4.519 ( -14.805 0.000 0.541) 14.815 4.527 ( -14.750 -0.000 -0.462) 14.758 5.003 ( -2.174 -0.000 0.336) 2.199 5.009 ( -1.939 -0.000 -0.364) 1.973 5.786 ( -10.464 0.000 0.367) 10.470 5.791 ( -10.171 -0.000 -0.267) 10.174 7.371 ( 1.110 -0.000 0.078) 1.112 7.372 ( 1.189 0.000 -0.086) 1.192 7.917 ( 11.572 0.000 0.068) 11.572 7.918 ( 11.555 -0.000 -0.083) 11.555 8.916 ( -7.022 -0.000 0.331) 7.030 8.921 ( -7.025 0.000 -0.265) 7.030 9.217 ( 5.135 0.000 -0.018) 5.135 9.218 ( 5.362 -0.000 -0.100) 5.363 9.379 ( 10.087 -0.000 0.271) 10.091 9.383 ( 10.175 0.000 -0.196) 10.177 9.582 ( 4.849 -0.000 0.540) 4.879 9.590 ( 4.851 0.000 -0.495) 4.876 9.817 ( 5.295 0.000 0.261) 5.301 9.820 ( 5.146 -0.000 -0.146) 5.148 10.073 ( -1.076 0.000 1.359) 1.733 10.097 ( -1.568 0.000 -1.596) 2.237 10.234 ( -10.577 -0.000 0.386) 10.584 10.240 ( -10.640 0.000 -0.344) 10.646 10.741 ( -0.207 0.000 0.056) 0.214 10.742 ( -0.344 -0.000 -0.063) 0.350 11.485 ( 1.384 0.000 0.243) 1.405 11.487 ( 1.208 -0.000 -0.102) 1.212 11.514 ( 3.354 -0.000 2.377) 4.111 11.552 ( 3.230 0.000 -2.309) 3.970 ======================= Grid point 288 (115/171) ======================= q-point: ( 0.30 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( -0.316 8.317 0.426) 8.334 1.984 ( 4.136 6.897 -0.198) 8.045 2.072 ( 1.226 11.083 1.643) 11.271 2.134 ( 2.025 8.768 -1.519) 9.126 2.600 ( -2.073 -4.193 0.747) 4.737 2.621 ( -0.585 -0.179 2.179) 2.263 2.690 ( -0.666 -0.684 -0.207) 0.977 2.741 ( -4.222 -5.138 2.407) 7.072 2.788 ( -0.989 -1.625 -0.708) 2.030 2.804 ( 1.660 -3.173 -1.878) 4.043 2.884 ( 2.528 -1.890 0.287) 3.169 2.914 ( 2.903 -1.246 -1.271) 3.405 2.974 ( -3.837 2.323 0.847) 4.565 3.186 ( -3.983 -7.108 -0.148) 8.149 3.389 ( -0.276 1.465 2.424) 2.846 3.456 ( -4.494 0.249 -1.833) 4.860 3.541 ( 0.155 -2.697 0.779) 2.811 3.559 ( 1.312 -3.996 0.127) 4.207 3.857 ( 3.377 -3.965 -0.190) 5.211 3.891 ( -4.859 1.879 0.275) 5.217 4.000 ( -2.093 -5.025 -0.811) 5.503 4.120 ( -3.697 -3.822 0.536) 5.345 4.334 ( -1.721 -2.475 0.923) 3.152 4.377 ( -1.012 -3.314 -0.607) 3.518 4.448 ( 2.509 3.787 -0.062) 4.543 4.469 ( 2.157 3.560 0.082) 4.164 4.811 ( 7.705 14.934 0.105) 16.804 4.835 ( 8.783 14.818 -0.053) 17.226 5.579 ( -6.862 -13.514 0.396) 15.162 5.600 ( -5.722 -13.392 -0.290) 14.567 7.412 ( 1.140 0.548 -0.055) 1.266 7.422 ( 1.086 0.164 0.057) 1.100 8.221 ( 4.124 6.591 -0.107) 7.776 8.238 ( 3.516 6.243 0.117) 7.167 8.660 ( -4.964 -5.793 0.127) 7.630 8.663 ( -5.042 -5.699 -0.104) 7.609 9.313 ( 1.994 4.120 0.330) 4.589 9.319 ( 1.874 3.902 -0.351) 4.343 9.656 ( 1.125 1.035 0.126) 1.534 9.665 ( 1.181 0.888 0.108) 1.481 9.705 ( -1.538 3.912 0.024) 4.204 9.708 ( -0.365 3.315 -0.151) 3.339 9.888 ( 1.419 -4.327 0.055) 4.555 9.897 ( 0.616 -4.436 0.062) 4.479 9.968 ( -0.745 1.260 -0.120) 1.469 10.002 ( -0.666 1.600 0.333) 1.765 10.040 ( -0.120 -1.861 -0.157) 1.872 10.082 ( 0.510 -1.888 0.368) 1.990 10.734 ( 0.136 0.071 0.157) 0.220 10.737 ( 0.208 0.108 -0.158) 0.283 11.493 ( -0.497 0.611 -0.290) 0.839 11.509 ( -0.611 -0.072 0.072) 0.619 11.586 ( 0.992 0.842 1.316) 1.851 11.619 ( 0.598 0.325 -0.899) 1.128 ======================= Grid point 289 (116/171) ======================= q-point: ( 0.40 0.70 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( 20.299 -0.372 2.762) 20.489 1.845 ( 19.535 -0.093 -2.412) 19.684 1.884 ( 13.460 1.722 0.031) 13.570 1.902 ( 16.616 -0.913 -0.057) 16.642 2.648 ( 0.332 1.315 2.490) 2.835 2.681 ( -0.189 -0.070 -2.044) 2.054 2.766 ( -3.190 1.083 0.296) 3.382 2.800 ( -0.676 -1.807 -0.446) 1.980 2.858 ( -2.972 2.691 0.680) 4.066 2.890 ( -3.404 0.742 0.012) 3.484 2.984 ( -19.685 3.354 2.173) 20.087 3.018 ( -19.951 1.638 -2.398) 20.161 3.100 ( -6.519 3.281 0.824) 7.344 3.201 ( -4.633 -5.464 -0.729) 7.200 3.386 ( 8.613 0.812 1.234) 8.739 3.424 ( 10.127 -3.501 -0.927) 10.755 3.486 ( 0.005 -2.188 1.596) 2.708 3.526 ( -3.575 -3.289 -1.308) 5.031 3.707 ( 4.677 -0.165 3.417) 5.795 3.762 ( 3.975 -2.906 -3.143) 5.842 4.237 ( -11.893 1.306 -0.002) 11.964 4.269 ( -9.946 -1.577 -0.056) 10.070 4.305 ( 7.874 1.162 0.216) 7.962 4.322 ( 8.528 -0.285 -0.029) 8.533 4.365 ( -2.763 -1.432 0.916) 3.244 4.382 ( -2.304 -2.182 -0.754) 3.262 4.924 ( -0.925 11.131 0.461) 11.179 4.931 ( -0.580 10.903 -0.457) 10.928 5.630 ( -10.280 -7.058 0.566) 12.483 5.635 ( -10.367 -7.092 -0.502) 12.570 7.393 ( 1.434 0.258 -0.001) 1.457 7.399 ( 1.407 -0.272 -0.000) 1.433 8.111 ( 10.628 1.117 -0.039) 10.687 8.123 ( 10.746 0.036 0.037) 10.746 8.772 ( -8.922 -0.554 0.162) 8.941 8.775 ( -9.245 -0.719 -0.142) 9.274 9.290 ( 4.247 2.309 0.101) 4.835 9.294 ( 4.077 1.908 -0.136) 4.503 9.559 ( 8.270 -1.650 0.027) 8.433 9.567 ( 8.422 -2.318 0.048) 8.736 9.666 ( 4.643 0.415 0.278) 4.670 9.670 ( 4.574 0.338 -0.276) 4.595 9.885 ( 1.109 -0.430 0.029) 1.190 9.889 ( 1.334 -0.794 0.031) 1.552 10.038 ( -4.808 1.549 0.253) 5.058 10.055 ( -2.586 1.331 0.023) 2.908 10.068 ( -6.515 -0.480 -0.103) 6.533 10.087 ( -3.891 -1.015 -0.032) 4.021 10.736 ( -0.151 0.158 0.034) 0.221 10.737 ( -0.167 0.036 -0.036) 0.174 11.498 ( 0.465 0.419 -0.049) 0.628 11.507 ( 0.442 -0.515 0.081) 0.684 11.571 ( 2.137 0.362 1.789) 2.811 11.591 ( 1.995 -0.233 -1.679) 2.618 ======================= Grid point 290 (117/171) ======================= q-point: (-0.50 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( 23.315 0.000 -0.625) 23.324 1.422 ( 23.315 0.000 0.625) 23.324 1.625 ( 16.399 0.000 -2.112) 16.534 1.625 ( 16.399 0.000 2.112) 16.534 2.612 ( 8.382 0.000 -0.922) 8.433 2.612 ( 8.382 0.000 0.922) 8.433 2.762 ( 3.073 0.000 -0.022) 3.073 2.762 ( 3.073 0.000 0.022) 3.073 2.972 ( -3.100 0.000 -0.675) 3.173 2.972 ( -3.100 -0.000 0.675) 3.173 3.079 ( 13.284 0.000 -4.548) 14.041 3.079 ( 13.284 -0.000 4.548) 14.041 3.239 ( -3.857 0.000 -3.501) 5.209 3.239 ( -3.857 -0.000 3.501) 5.209 3.414 ( -17.997 -0.000 -1.234) 18.039 3.414 ( -17.997 -0.000 1.234) 18.039 3.574 ( -6.828 0.000 -3.466) 7.657 3.574 ( -6.828 -0.000 3.466) 7.657 3.731 ( -3.763 0.000 -3.631) 5.229 3.731 ( -3.763 -0.000 3.631) 5.229 4.119 ( 8.635 0.000 -0.930) 8.685 4.119 ( 8.635 0.000 0.930) 8.685 4.422 ( -3.520 0.000 -1.163) 3.707 4.422 ( -3.520 -0.000 1.163) 3.707 4.523 ( -14.763 -0.000 -0.500) 14.771 4.523 ( -14.763 -0.000 0.500) 14.771 5.006 ( -2.053 -0.000 -0.367) 2.086 5.006 ( -2.053 -0.000 0.367) 2.086 5.789 ( -10.313 -0.000 -0.193) 10.315 5.789 ( -10.313 -0.000 0.193) 10.315 7.372 ( 1.150 0.000 -0.031) 1.150 7.372 ( 1.150 0.000 0.031) 1.150 7.917 ( 11.563 0.000 -0.019) 11.563 7.917 ( 11.563 0.000 0.019) 11.563 8.918 ( -7.027 -0.000 -0.232) 7.031 8.918 ( -7.027 -0.000 0.232) 7.031 9.217 ( 5.256 0.000 -0.007) 5.256 9.217 ( 5.256 0.000 0.007) 5.256 9.381 ( 10.135 0.000 -0.229) 10.138 9.381 ( 10.135 0.000 0.229) 10.138 9.586 ( 4.851 0.000 -0.542) 4.881 9.586 ( 4.851 0.000 0.542) 4.881 9.819 ( 5.227 0.000 -0.206) 5.231 9.819 ( 5.227 0.000 0.206) 5.231 10.084 ( -1.268 0.000 -1.546) 1.999 10.084 ( -1.268 -0.000 1.546) 1.999 10.237 ( -10.603 -0.000 -0.383) 10.610 10.237 ( -10.603 -0.000 0.383) 10.610 10.741 ( -0.275 -0.000 -0.036) 0.277 10.741 ( -0.275 -0.000 0.036) 0.277 11.486 ( 1.296 0.000 -0.066) 1.298 11.486 ( 1.296 0.000 0.066) 1.298 11.533 ( 3.307 0.000 -2.455) 4.118 11.533 ( 3.307 -0.000 2.455) 4.118 ======================= Grid point 299 (118/171) ======================= q-point: ( 0.30 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( -11.341 15.370 0.227) 19.103 1.750 ( -9.395 17.778 0.614) 20.117 1.810 ( -13.227 18.888 -0.699) 23.069 1.878 ( -5.628 11.725 0.077) 13.006 2.622 ( -0.796 0.821 2.032) 2.331 2.660 ( -0.840 -1.170 -1.291) 1.934 2.776 ( 4.815 -5.897 0.888) 7.664 2.781 ( 0.789 -1.815 0.057) 1.980 2.887 ( -2.379 1.718 -1.095) 3.132 2.903 ( 2.818 -1.474 0.735) 3.264 2.928 ( 7.360 -2.411 -0.289) 7.751 3.082 ( 11.100 -14.992 2.189) 18.782 3.103 ( 11.744 -14.164 -2.308) 18.543 3.211 ( -2.471 -8.661 0.155) 9.008 3.339 ( -5.475 1.588 -0.299) 5.709 3.367 ( -2.295 5.983 -0.017) 6.408 3.526 ( -11.461 7.788 1.571) 13.945 3.596 ( 1.233 -2.288 -1.491) 2.996 3.627 ( -0.627 0.421 0.083) 0.760 3.845 ( -2.087 1.958 0.312) 2.879 4.215 ( 7.251 -11.627 -0.070) 13.703 4.234 ( 1.645 -5.080 0.009) 5.340 4.291 ( -0.896 2.355 0.045) 2.520 4.335 ( -4.403 8.183 0.096) 9.293 4.379 ( -0.882 -1.832 0.312) 2.057 4.412 ( 0.212 -3.290 -0.249) 3.306 4.901 ( 9.016 3.830 -0.085) 9.796 4.935 ( 9.004 4.294 0.102) 9.976 5.653 ( -0.506 -13.018 0.227) 13.030 5.688 ( 0.370 -12.690 -0.193) 12.697 7.419 ( 0.465 0.822 -0.037) 0.945 7.431 ( 0.340 0.497 0.039) 0.604 8.112 ( -4.733 10.340 0.018) 11.372 8.113 ( -5.760 10.186 -0.016) 11.702 8.722 ( 2.361 -7.828 0.045) 8.176 8.733 ( 2.695 -8.222 -0.032) 8.652 9.279 ( -0.568 5.202 0.280) 5.240 9.283 ( -0.155 5.399 -0.270) 5.407 9.535 ( -6.633 5.997 0.048) 8.942 9.542 ( -6.787 6.136 -0.063) 9.150 9.673 ( 0.162 3.042 0.199) 3.053 9.686 ( 0.279 2.721 -0.169) 2.741 9.872 ( -3.540 2.615 -0.006) 4.402 9.891 ( -3.459 2.364 0.056) 4.190 10.049 ( 2.284 -1.147 -0.003) 2.556 10.059 ( 4.834 -5.462 0.025) 7.294 10.102 ( 4.346 -7.101 0.018) 8.326 10.131 ( 2.198 -3.780 0.196) 4.377 10.740 ( 0.563 0.069 0.075) 0.572 10.744 ( 0.694 -0.001 -0.075) 0.698 11.466 ( -1.387 1.212 -0.233) 1.856 11.487 ( -1.597 0.571 -0.048) 1.697 11.584 ( 0.029 1.733 0.361) 1.771 11.612 ( -0.434 1.004 -0.043) 1.095 ======================= Grid point 300 (119/171) ======================= q-point: ( 0.40 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( -0.258 8.410 -0.000) 8.414 1.983 ( 4.072 6.728 -0.000) 7.864 2.080 ( 1.353 11.649 -0.000) 11.728 2.127 ( 1.858 8.314 -0.000) 8.519 2.602 ( -2.882 -4.389 0.000) 5.250 2.631 ( 0.531 0.306 -0.000) 0.613 2.688 ( -1.069 -0.640 0.000) 1.246 2.754 ( -6.992 -6.102 0.000) 9.281 2.782 ( 3.110 -2.226 -0.000) 3.825 2.796 ( 0.430 -2.194 0.000) 2.236 2.885 ( 2.607 -1.341 -0.000) 2.931 2.909 ( 3.009 -1.452 -0.000) 3.342 2.978 ( -4.047 2.308 0.000) 4.659 3.185 ( -3.882 -7.150 0.000) 8.136 3.401 ( 0.003 2.300 -0.000) 2.300 3.447 ( -5.029 -0.372 0.000) 5.042 3.544 ( 0.736 -2.811 0.000) 2.906 3.559 ( 0.779 -3.925 0.000) 4.002 3.857 ( 3.507 -4.118 -0.000) 5.409 3.892 ( -5.184 2.091 0.000) 5.590 3.997 ( -1.783 -5.156 0.000) 5.455 4.122 ( -3.785 -3.817 0.000) 5.375 4.338 ( -1.770 -2.341 0.000) 2.935 4.374 ( -0.987 -3.432 0.000) 3.571 4.448 ( 2.539 3.796 -0.000) 4.567 4.469 ( 2.153 3.582 -0.000) 4.179 4.811 ( 7.598 15.026 -0.000) 16.838 4.835 ( 8.895 14.729 -0.000) 17.207 5.581 ( -6.939 -13.572 0.000) 15.243 5.598 ( -5.648 -13.326 0.000) 14.474 7.412 ( 1.141 0.564 -0.000) 1.273 7.422 ( 1.085 0.148 -0.000) 1.095 8.220 ( 4.139 6.599 -0.000) 7.790 8.239 ( 3.503 6.239 -0.000) 7.155 8.661 ( -4.951 -5.988 0.000) 7.770 8.663 ( -5.056 -5.507 0.000) 7.476 9.315 ( 2.132 4.192 -0.000) 4.703 9.317 ( 1.743 3.824 -0.000) 4.202 9.656 ( 1.030 1.123 -0.000) 1.524 9.666 ( 1.310 0.791 -0.000) 1.530 9.705 ( -1.416 3.935 -0.000) 4.182 9.707 ( -0.527 3.318 -0.000) 3.359 9.888 ( 1.451 -4.381 0.000) 4.615 9.897 ( 0.595 -4.407 0.000) 4.447 9.967 ( -0.773 1.289 0.000) 1.503 10.003 ( -0.678 1.637 -0.000) 1.772 10.040 ( -0.122 -1.874 0.000) 1.878 10.083 ( 0.555 -1.905 0.000) 1.984 10.734 ( 0.185 0.127 -0.000) 0.224 10.736 ( 0.160 0.052 -0.000) 0.168 11.492 ( -0.520 0.646 0.000) 0.830 11.509 ( -0.664 -0.109 0.000) 0.673 11.592 ( 0.905 1.156 -0.000) 1.468 11.614 ( 0.745 0.028 -0.000) 0.745 ======================= Grid point 309 (120/171) ======================= q-point: ( 0.30 -0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( -11.531 22.382 0.000) 25.178 1.370 ( -8.171 14.297 0.000) 16.467 1.452 ( -5.283 17.972 -0.000) 18.732 1.640 ( -6.198 14.039 -0.000) 15.347 2.604 ( -1.976 2.065 0.000) 2.858 2.633 ( -8.037 12.600 0.000) 14.945 2.654 ( -1.018 -1.594 0.000) 1.891 2.878 ( 1.568 -0.532 -0.000) 1.656 2.878 ( 2.291 0.144 -0.000) 2.296 2.945 ( -16.260 24.780 0.000) 29.638 2.970 ( 0.590 -5.037 0.000) 5.071 3.086 ( 5.219 -4.861 -0.000) 7.132 3.261 ( -2.640 -9.150 0.000) 9.524 3.262 ( -0.289 2.313 -0.000) 2.331 3.417 ( 2.204 -3.945 -0.000) 4.519 3.472 ( 9.490 -18.023 -0.000) 20.368 3.519 ( 12.840 -11.943 -0.000) 17.535 3.669 ( 3.000 -5.052 -0.000) 5.875 3.673 ( 1.836 -3.979 0.000) 4.382 3.817 ( 1.058 0.983 -0.000) 1.445 4.098 ( -3.682 6.634 0.000) 7.588 4.165 ( -3.760 7.298 0.000) 8.210 4.411 ( 0.082 -3.671 0.000) 3.672 4.455 ( 0.354 -3.570 0.000) 3.588 4.492 ( 7.968 -13.100 -0.000) 15.333 4.504 ( 7.451 -12.781 -0.000) 14.795 4.986 ( 1.420 -2.251 -0.000) 2.661 5.009 ( 1.121 -1.474 -0.000) 1.852 5.797 ( 3.089 -9.492 0.000) 9.982 5.840 ( 3.453 -9.504 0.000) 10.111 7.413 ( -0.160 0.726 -0.000) 0.743 7.425 ( -0.429 0.434 0.000) 0.610 7.894 ( -6.280 10.432 0.000) 12.177 7.908 ( -5.403 10.858 0.000) 12.128 8.852 ( 3.565 -6.467 -0.000) 7.384 8.865 ( 3.150 -6.397 -0.000) 7.130 9.199 ( -1.935 5.716 -0.000) 6.034 9.212 ( -1.029 6.118 -0.000) 6.204 9.357 ( -5.659 7.206 0.000) 9.163 9.360 ( -5.607 7.726 0.000) 9.546 9.629 ( -0.785 4.155 -0.000) 4.228 9.647 ( -0.714 3.789 -0.000) 3.856 9.767 ( -4.188 4.083 0.000) 5.849 9.784 ( -4.465 4.139 0.000) 6.089 10.075 ( 0.648 -0.190 -0.000) 0.675 10.145 ( 1.629 -2.213 -0.000) 2.748 10.266 ( 4.455 -8.492 -0.000) 9.590 10.276 ( 4.730 -9.227 -0.000) 10.368 10.752 ( 0.821 0.073 -0.000) 0.824 10.761 ( 1.187 -0.112 -0.000) 1.192 11.420 ( -1.860 2.001 0.000) 2.732 11.444 ( -2.008 1.224 0.000) 2.352 11.560 ( -0.409 2.313 -0.000) 2.349 11.582 ( -1.157 2.212 0.000) 2.496 ======================= Grid point 319 (121/171) ======================= q-point: ( 0.30 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( -0.000 25.752 -0.000) 25.752 1.250 ( -0.000 13.341 -0.000) 13.341 1.405 ( -0.000 16.477 -0.000) 16.477 1.525 ( -0.000 15.111 -0.000) 15.111 2.415 ( -0.000 23.900 -0.000) 23.900 2.579 ( -0.000 38.084 -0.000) 38.084 2.605 ( 0.000 -1.900 0.000) 1.900 2.654 ( 0.000 -3.240 0.000) 3.240 2.897 ( -0.000 0.922 -0.000) 0.922 2.972 ( 0.000 -0.225 0.000) 0.225 2.977 ( 0.000 -5.969 0.000) 5.969 3.119 ( 0.000 -8.211 0.000) 8.211 3.214 ( 0.000 -7.743 0.000) 7.743 3.299 ( -0.000 4.879 -0.000) 4.879 3.428 ( 0.000 -2.581 0.000) 2.581 3.596 ( 0.000 -9.961 0.000) 9.961 3.762 ( 0.000 -18.653 0.000) 18.653 3.790 ( 0.000 -19.437 0.000) 19.437 3.808 ( 0.000 -1.395 0.000) 1.395 3.846 ( 0.000 -1.029 0.000) 1.029 4.030 ( -0.000 5.684 -0.000) 5.684 4.041 ( -0.000 5.017 -0.000) 5.017 4.418 ( 0.000 -1.665 0.000) 1.665 4.450 ( 0.000 -3.194 0.000) 3.194 4.738 ( 0.000 -10.319 0.000) 10.319 4.747 ( 0.000 -10.269 0.000) 10.269 4.859 ( 0.000 -11.599 0.000) 11.599 4.888 ( 0.000 -9.900 0.000) 9.900 5.889 ( 0.000 -5.993 0.000) 5.993 5.932 ( 0.000 -6.762 0.000) 6.762 7.400 ( 0.000 -0.076 0.000) 0.076 7.404 ( 0.000 -0.224 0.000) 0.224 7.778 ( -0.000 10.932 -0.000) 10.932 7.810 ( -0.000 11.198 -0.000) 11.198 8.934 ( 0.000 -4.024 0.000) 4.024 8.937 ( 0.000 -5.032 0.000) 5.032 9.152 ( -0.000 4.398 -0.000) 4.398 9.187 ( -0.000 3.372 -0.000) 3.372 9.257 ( -0.000 11.154 -0.000) 11.154 9.262 ( -0.000 10.980 -0.000) 10.980 9.607 ( -0.000 3.079 -0.000) 3.079 9.624 ( -0.000 2.436 -0.000) 2.436 9.682 ( -0.000 6.439 -0.000) 6.439 9.690 ( -0.000 6.499 -0.000) 6.499 10.084 ( 0.000 -0.068 0.000) 0.068 10.173 ( 0.000 -2.525 0.000) 2.525 10.347 ( 0.000 -10.063 0.000) 10.063 10.359 ( 0.000 -10.517 0.000) 10.517 10.772 ( 0.000 -0.113 0.000) 0.113 10.792 ( 0.000 -0.513 0.000) 0.513 11.380 ( -0.000 2.773 -0.000) 2.773 11.402 ( -0.000 1.862 -0.000) 1.862 11.550 ( -0.000 2.501 -0.000) 2.501 11.556 ( -0.000 3.120 -0.000) 3.120 ======================= Grid point 320 (122/171) ======================= q-point: ( 0.40 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( -3.405 17.972 0.250) 18.294 1.479 ( -3.958 25.490 0.070) 25.795 1.589 ( -1.035 18.230 0.055) 18.259 1.697 ( -3.152 13.428 -0.330) 13.797 2.593 ( -0.447 -0.287 -0.947) 1.085 2.617 ( -1.340 1.882 -3.947) 4.574 2.673 ( -3.238 10.962 4.628) 12.332 2.887 ( 1.469 -3.100 -0.868) 3.539 2.911 ( 1.620 -0.399 0.104) 1.672 2.924 ( -0.257 -2.871 0.635) 2.951 3.022 ( -4.829 21.724 1.170) 22.285 3.063 ( -2.824 -2.769 -0.010) 3.955 3.144 ( -0.063 -4.363 -1.092) 4.498 3.343 ( 2.332 6.364 -2.485) 7.219 3.369 ( 1.842 -10.458 1.178) 10.684 3.390 ( 3.982 -22.098 0.854) 22.470 3.574 ( 5.157 -8.113 0.646) 9.635 3.641 ( 0.172 -5.188 0.713) 5.240 3.721 ( 6.067 -1.536 -0.186) 6.262 3.839 ( 0.402 1.267 -0.472) 1.411 4.116 ( -2.163 6.976 0.081) 7.304 4.152 ( -5.166 6.885 -0.053) 8.608 4.393 ( 0.998 -1.882 -0.183) 2.138 4.417 ( 0.188 -4.030 0.094) 4.036 4.513 ( 8.348 -12.982 -0.033) 15.434 4.518 ( 8.637 -11.631 0.002) 14.487 4.853 ( -8.277 -10.420 0.072) 13.307 4.882 ( -7.890 -9.665 -0.110) 12.477 5.795 ( 4.372 -5.675 -0.009) 7.164 5.832 ( 4.094 -6.576 0.027) 7.746 7.408 ( -0.794 0.141 0.014) 0.807 7.412 ( -0.984 -0.042 -0.015) 0.985 7.916 ( -3.323 10.503 0.094) 11.016 7.945 ( -2.876 10.473 -0.082) 10.861 8.854 ( 3.284 -5.680 0.009) 6.561 8.862 ( 2.951 -5.264 0.011) 6.035 9.212 ( -1.933 4.126 0.064) 4.556 9.235 ( -1.630 3.427 -0.069) 3.795 9.387 ( -1.702 10.897 -0.019) 11.029 9.391 ( -1.856 10.689 0.021) 10.849 9.648 ( -1.171 2.914 -0.047) 3.141 9.660 ( -1.330 2.223 0.010) 2.591 9.759 ( -1.837 5.060 0.103) 5.384 9.770 ( -2.130 4.959 0.030) 5.398 10.081 ( 0.282 -0.217 0.070) 0.363 10.141 ( 0.748 -2.378 -0.348) 2.517 10.228 ( 1.918 -9.750 -0.036) 9.937 10.235 ( 1.976 -10.316 0.056) 10.503 10.766 ( 0.624 -0.008 0.025) 0.624 10.778 ( 0.877 -0.369 -0.035) 0.953 11.416 ( -1.031 2.164 0.295) 2.415 11.430 ( -1.138 1.450 0.206) 1.855 11.576 ( -0.263 2.091 -0.224) 2.119 11.588 ( -0.574 2.118 -0.198) 2.203 ======================= Grid point 321 (123/171) ======================= q-point: ( 0.50 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( -7.648 17.536 -0.011) 19.132 1.806 ( -5.054 19.086 -1.903) 19.836 1.834 ( -7.557 20.767 1.458) 22.147 1.895 ( -5.162 10.738 0.337) 11.919 2.597 ( -1.029 -0.111 -2.471) 2.679 2.638 ( -1.503 -0.551 2.190) 2.713 2.778 ( 1.849 -3.270 -0.136) 3.759 2.800 ( 3.923 -4.432 -1.123) 6.025 2.875 ( -1.279 0.416 2.671) 2.991 2.915 ( 0.301 -0.051 -0.969) 1.016 2.984 ( 2.173 -4.986 -1.036) 5.537 3.058 ( 5.303 -17.135 -1.699) 18.017 3.077 ( -0.689 -8.949 -0.534) 8.992 3.113 ( 5.975 -16.683 2.060) 17.840 3.360 ( 2.580 7.033 -0.304) 7.498 3.417 ( -0.761 10.535 1.254) 10.637 3.518 ( 0.716 8.207 -1.392) 8.355 3.601 ( 0.995 -1.444 2.566) 3.108 3.624 ( 0.518 -0.117 -0.053) 0.534 3.855 ( 0.325 2.979 -1.042) 3.173 4.210 ( 3.049 -7.628 -0.020) 8.215 4.232 ( 7.385 -11.231 0.259) 13.444 4.293 ( -1.042 2.138 -0.049) 2.379 4.328 ( -4.505 6.427 0.065) 7.849 4.373 ( -0.189 1.856 -0.870) 2.058 4.393 ( 0.265 -1.225 0.408) 1.318 4.912 ( -7.575 -5.237 0.156) 9.210 4.942 ( -7.891 -5.447 -0.225) 9.591 5.615 ( 8.419 -7.225 -0.429) 11.103 5.652 ( 7.900 -8.145 0.415) 11.355 7.425 ( -0.632 0.411 0.036) 0.755 7.430 ( -0.801 0.130 -0.037) 0.812 8.105 ( -6.370 9.712 0.100) 11.615 8.122 ( -5.743 9.515 -0.083) 11.114 8.714 ( 5.254 -6.703 0.044) 8.517 8.727 ( 5.250 -6.858 -0.052) 8.637 9.295 ( -2.676 3.448 -0.026) 4.364 9.306 ( -2.444 3.045 0.023) 3.905 9.527 ( -2.692 9.158 -0.079) 9.546 9.532 ( -2.832 8.825 0.102) 9.269 9.693 ( -0.862 2.034 -0.487) 2.262 9.705 ( -1.078 1.680 0.432) 2.042 9.842 ( -2.777 3.010 0.055) 4.096 9.856 ( -3.009 2.653 -0.039) 4.012 10.069 ( 1.096 -0.666 0.042) 1.283 10.071 ( 3.299 -6.428 0.017) 7.225 10.089 ( 3.103 -8.441 0.004) 8.993 10.120 ( 1.060 -3.753 -0.336) 3.914 10.752 ( 0.820 0.021 -0.136) 0.831 10.759 ( 0.935 -0.107 0.132) 0.951 11.457 ( -1.285 1.314 0.488) 1.902 11.466 ( -1.454 0.747 0.353) 1.672 11.597 ( -0.163 1.429 -0.772) 1.632 11.614 ( -0.566 1.078 -0.008) 1.218 ======================= Grid point 322 (124/171) ======================= q-point: ( 0.60 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( -5.371 8.106 -1.743) 9.879 2.059 ( -3.215 5.169 1.603) 6.295 2.128 ( -9.966 18.321 -2.765) 21.039 2.210 ( -9.783 18.240 2.750) 20.880 2.564 ( 7.488 -11.670 0.076) 13.866 2.609 ( 0.007 -6.792 -2.005) 7.081 2.614 ( 5.245 -8.340 -1.706) 9.999 2.691 ( 0.142 -0.541 2.115) 2.188 2.791 ( 3.222 -3.672 -2.223) 5.367 2.858 ( 6.653 -4.836 1.586) 8.376 2.905 ( 1.654 -0.684 -1.034) 2.067 2.944 ( 0.041 0.730 0.001) 0.731 2.951 ( 0.380 -0.356 0.467) 0.699 3.037 ( -3.350 -7.383 -0.077) 8.108 3.375 ( 0.393 1.311 -1.839) 2.292 3.440 ( -0.350 2.018 2.191) 2.999 3.512 ( 0.502 -1.116 -1.927) 2.283 3.560 ( 1.698 -1.970 1.820) 3.174 3.822 ( -7.331 10.475 0.192) 12.787 3.877 ( -0.108 2.387 -0.780) 2.513 4.006 ( 6.859 -7.699 0.411) 10.319 4.040 ( 1.977 -9.350 -0.274) 9.561 4.296 ( 0.283 -1.125 -1.381) 1.803 4.343 ( 0.273 -2.056 1.239) 2.416 4.491 ( -2.564 5.757 -0.092) 6.303 4.500 ( -2.770 4.796 -0.212) 5.543 5.034 ( -3.846 9.260 0.121) 10.028 5.068 ( -4.752 8.543 -0.261) 9.779 5.369 ( 6.199 -13.066 -0.423) 14.468 5.409 ( 6.025 -13.619 0.332) 14.896 7.432 ( 0.376 0.388 0.014) 0.541 7.436 ( 0.292 0.052 -0.017) 0.297 8.321 ( -5.691 9.960 -0.039) 11.471 8.324 ( -4.941 9.999 0.043) 11.154 8.549 ( 3.553 -8.905 0.012) 9.588 8.554 ( 4.182 -9.178 -0.047) 10.086 9.358 ( -0.852 2.314 -0.245) 2.478 9.366 ( -0.814 2.193 0.263) 2.354 9.663 ( -3.414 6.173 -0.033) 7.054 9.666 ( -3.536 5.534 -0.083) 6.568 9.711 ( -0.450 0.932 -0.631) 1.212 9.727 ( -0.069 0.471 0.590) 0.758 9.882 ( 1.440 -2.849 -0.127) 3.194 9.885 ( 2.448 -3.869 0.028) 4.579 9.966 ( 0.175 -0.911 0.113) 0.934 9.980 ( -0.439 -1.952 -0.150) 2.007 10.051 ( 1.406 0.146 -0.001) 1.414 10.075 ( 1.112 -1.918 -0.452) 2.262 10.739 ( 0.544 -0.008 -0.278) 0.611 10.746 ( 0.591 0.045 0.278) 0.655 11.488 ( -0.938 0.635 0.442) 1.216 11.495 ( -1.032 0.059 0.359) 1.094 11.600 ( 0.450 0.549 -1.593) 1.744 11.630 ( -0.170 0.438 0.651) 0.803 ======================= Grid point 323 (125/171) ======================= q-point: (-0.30 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.031 ( 3.167 0.000 -0.950) 3.306 2.064 ( 7.332 0.000 0.833) 7.379 2.183 ( 18.604 0.000 -2.212) 18.735 2.251 ( 17.850 0.000 1.480) 17.912 2.525 ( -16.748 -0.000 -3.028) 17.020 2.615 ( -3.737 0.000 -5.261) 6.453 2.640 ( -14.492 -0.000 3.257) 14.853 2.713 ( -2.816 -0.000 0.485) 2.857 2.758 ( 0.945 0.000 0.065) 0.947 2.770 ( -5.329 -0.000 0.793) 5.387 2.875 ( 0.796 0.000 -0.934) 1.227 2.920 ( 1.905 -0.000 1.469) 2.406 3.024 ( -4.071 0.000 -1.456) 4.323 3.067 ( -6.185 -0.000 1.046) 6.273 3.372 ( -0.959 0.000 -4.168) 4.277 3.484 ( -1.699 -0.000 2.081) 2.686 3.505 ( -0.925 0.000 -0.664) 1.138 3.508 ( 3.796 0.000 -0.560) 3.837 3.809 ( 10.528 0.000 -0.913) 10.567 3.868 ( 3.829 -0.000 2.532) 4.590 4.030 ( -9.856 -0.000 -1.159) 9.924 4.050 ( -10.106 -0.000 0.182) 10.108 4.294 ( -1.630 0.000 -1.619) 2.297 4.344 ( -1.236 -0.000 1.130) 1.675 4.485 ( 6.600 0.000 -0.411) 6.613 4.495 ( 6.207 0.000 0.170) 6.209 5.053 ( 9.239 0.000 -0.768) 9.271 5.081 ( 9.748 0.000 0.748) 9.777 5.360 ( -13.401 -0.000 -0.595) 13.414 5.377 ( -13.530 -0.000 0.314) 13.534 7.419 ( 1.274 0.000 -0.107) 1.278 7.423 ( 1.214 0.000 0.107) 1.219 8.312 ( 10.360 0.000 -0.020) 10.360 8.312 ( 10.361 0.000 -0.020) 10.361 8.586 ( -10.846 -0.000 -0.021) 10.847 8.587 ( -11.090 -0.000 0.006) 11.090 9.358 ( 2.138 0.000 -0.208) 2.148 9.367 ( 2.226 0.000 0.278) 2.243 9.660 ( 3.647 0.000 -0.575) 3.692 9.674 ( 4.701 0.000 0.222) 4.706 9.763 ( 5.554 0.000 -0.043) 5.554 9.766 ( 6.322 0.000 0.158) 6.324 9.818 ( -6.576 -0.000 -0.171) 6.578 9.822 ( -6.885 -0.000 0.038) 6.885 9.996 ( -1.399 -0.000 -0.240) 1.420 10.011 ( -1.675 -0.000 0.640) 1.794 10.031 ( 0.535 0.000 -0.957) 1.096 10.046 ( -0.375 0.000 -0.259) 0.456 10.733 ( 0.028 0.000 -0.203) 0.205 10.740 ( 0.233 -0.000 0.205) 0.310 11.504 ( -0.274 -0.000 0.052) 0.278 11.506 ( -0.194 -0.000 0.411) 0.455 11.580 ( 1.363 0.000 -1.998) 2.418 11.632 ( 0.585 -0.000 1.143) 1.284 ======================= Grid point 330 (126/171) ======================= q-point: ( 0.40 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( -0.000 25.520 0.663) 25.529 1.251 ( -0.000 13.396 0.239) 13.398 1.405 ( -0.000 16.753 0.087) 16.753 1.521 ( -0.000 15.193 -1.030) 15.228 2.407 ( -0.000 22.744 -1.898) 22.823 2.538 ( 0.000 21.889 -6.396) 22.804 2.648 ( -0.000 14.346 6.924) 15.930 2.664 ( -0.000 -1.804 2.414) 3.014 2.900 ( -0.000 0.937 0.740) 1.194 2.941 ( 0.000 -2.310 -4.225) 4.815 3.007 ( -0.000 -3.658 4.073) 5.475 3.113 ( 0.000 -7.271 -1.553) 7.435 3.202 ( 0.000 -7.647 -2.959) 8.199 3.281 ( 0.000 3.818 -4.110) 5.610 3.447 ( -0.000 -2.478 4.330) 4.989 3.604 ( 0.000 -10.269 1.768) 10.420 3.759 ( 0.000 -16.662 -0.797) 16.681 3.789 ( 0.000 -18.745 -0.217) 18.747 3.808 ( 0.000 -2.907 0.027) 2.907 3.844 ( 0.000 -1.555 -0.588) 1.663 4.031 ( -0.000 5.655 0.177) 5.657 4.041 ( -0.000 5.027 0.005) 5.027 4.418 ( 0.000 -1.695 0.083) 1.697 4.449 ( 0.000 -3.149 -0.282) 3.161 4.738 ( 0.000 -10.315 0.057) 10.315 4.747 ( 0.000 -10.268 -0.054) 10.268 4.859 ( 0.000 -11.564 0.138) 11.565 4.887 ( 0.000 -9.944 -0.225) 9.946 5.890 ( 0.000 -6.008 0.289) 6.015 5.931 ( 0.000 -6.739 -0.252) 6.744 7.400 ( -0.000 -0.078 0.023) 0.081 7.404 ( 0.000 -0.219 -0.031) 0.221 7.779 ( -0.000 10.935 0.221) 10.937 7.810 ( -0.000 11.186 -0.176) 11.187 8.934 ( 0.000 -4.045 0.055) 4.046 8.937 ( 0.000 -5.005 0.007) 5.005 9.153 ( -0.000 4.375 0.219) 4.381 9.186 ( -0.000 3.400 -0.230) 3.408 9.257 ( -0.000 11.156 0.006) 11.156 9.261 ( -0.000 10.989 -0.046) 10.989 9.607 ( -0.000 3.061 0.066) 3.062 9.624 ( -0.000 2.456 -0.171) 2.462 9.683 ( -0.000 6.450 0.210) 6.454 9.690 ( -0.000 6.501 0.131) 6.502 10.085 ( -0.000 -0.097 0.203) 0.225 10.169 ( 0.000 -2.421 -0.994) 2.617 10.348 ( 0.000 -10.070 0.080) 10.070 10.359 ( 0.000 -10.499 -0.043) 10.499 10.773 ( -0.000 -0.120 0.104) 0.159 10.791 ( 0.000 -0.501 -0.141) 0.520 11.382 ( -0.000 2.784 0.580) 2.844 11.403 ( -0.000 1.902 0.325) 1.930 11.549 ( -0.000 2.498 -0.337) 2.521 11.554 ( -0.000 3.111 -0.462) 3.145 ======================= Grid point 331 (127/171) ======================= q-point: ( 0.50 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( -3.175 18.404 0.679) 18.689 1.480 ( -3.905 25.225 0.177) 25.526 1.589 ( -1.017 17.952 0.156) 17.981 1.692 ( -3.282 13.724 -0.888) 14.139 2.572 ( -0.751 2.383 -4.111) 4.811 2.592 ( -2.352 4.571 -1.985) 5.511 2.714 ( -1.860 6.685 5.447) 8.822 2.877 ( 1.737 -3.366 -1.703) 4.153 2.912 ( 0.258 0.685 0.112) 0.741 2.933 ( 0.441 -1.819 1.666) 2.506 3.038 ( -3.212 13.505 2.594) 14.122 3.064 ( -3.316 2.337 0.174) 4.061 3.128 ( -0.563 -3.382 -2.689) 4.357 3.319 ( 0.866 6.659 -3.645) 7.641 3.374 ( 4.233 -13.941 0.024) 14.570 3.403 ( 2.878 -19.688 2.123) 20.010 3.584 ( 5.390 -7.010 1.733) 9.011 3.652 ( 0.349 -4.616 1.931) 5.016 3.719 ( 5.837 -1.507 -0.494) 6.049 3.832 ( 0.377 1.115 -1.388) 1.820 4.117 ( -2.333 6.950 0.223) 7.334 4.151 ( -4.979 6.985 -0.145) 8.579 4.391 ( 1.123 -2.074 -0.441) 2.399 4.418 ( 0.069 -3.803 0.205) 3.809 4.513 ( 8.351 -12.871 -0.083) 15.343 4.518 ( 8.676 -11.792 0.001) 14.640 4.854 ( -8.271 -10.393 0.215) 13.284 4.880 ( -7.918 -9.707 -0.315) 12.530 5.795 ( 4.545 -5.744 -0.022) 7.325 5.832 ( 3.936 -6.503 0.068) 7.602 7.408 ( -0.804 0.132 0.042) 0.816 7.412 ( -0.975 -0.032 -0.043) 0.977 7.918 ( -3.293 10.504 0.271) 11.011 7.943 ( -2.900 10.473 -0.238) 10.870 8.854 ( 3.304 -5.603 0.025) 6.505 8.863 ( 2.948 -5.347 0.028) 6.106 9.213 ( -1.899 4.092 0.184) 4.515 9.234 ( -1.655 3.477 -0.195) 3.856 9.387 ( -1.680 10.892 -0.042) 11.021 9.391 ( -1.889 10.706 0.048) 10.871 9.648 ( -1.099 2.823 -0.117) 3.031 9.660 ( -1.428 2.301 0.022) 2.708 9.760 ( -1.814 5.054 0.276) 5.377 9.770 ( -2.072 4.962 0.067) 5.378 10.082 ( 0.298 -0.223 0.234) 0.439 10.136 ( 0.704 -2.155 -0.950) 2.458 10.228 ( 2.014 -9.864 -0.056) 10.068 10.235 ( 1.908 -10.205 0.104) 10.383 10.766 ( 0.653 -0.036 0.071) 0.658 10.778 ( 0.843 -0.335 -0.097) 0.912 11.420 ( -1.004 2.172 0.791) 2.520 11.433 ( -1.118 1.506 0.571) 1.960 11.573 ( -0.204 2.047 -0.639) 2.154 11.585 ( -0.645 2.143 -0.521) 2.297 ======================= Grid point 332 (128/171) ======================= q-point: ( 0.60 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( -7.173 17.270 0.155) 18.701 1.790 ( -4.825 18.434 -2.220) 19.184 1.846 ( -7.916 20.922 1.440) 22.416 1.898 ( -5.323 11.678 0.453) 12.842 2.577 ( -0.540 0.386 -2.527) 2.613 2.655 ( -1.871 0.436 2.040) 2.802 2.777 ( 2.073 -3.375 -0.216) 3.967 2.793 ( 3.170 -2.754 -0.449) 4.223 2.895 ( -0.438 -2.010 0.617) 2.148 2.908 ( 1.275 -0.599 0.815) 1.627 2.974 ( 2.429 -6.099 -1.423) 6.717 3.045 ( 4.950 -16.065 -1.699) 16.896 3.070 ( -1.367 -8.438 -0.975) 8.603 3.130 ( 6.097 -16.892 2.154) 18.088 3.357 ( 1.195 8.495 -0.307) 8.585 3.429 ( 0.451 9.967 1.835) 10.145 3.506 ( 1.941 6.196 -1.547) 6.675 3.623 ( -0.223 1.075 0.040) 1.098 3.627 ( 1.320 -0.838 3.563) 3.891 3.843 ( 0.236 2.883 -1.970) 3.500 4.210 ( 3.651 -8.580 0.006) 9.324 4.234 ( 7.173 -10.839 0.385) 13.003 4.292 ( -1.523 3.122 -0.077) 3.474 4.329 ( -4.171 5.966 0.160) 7.281 4.365 ( -0.601 2.231 -1.160) 2.585 4.397 ( 0.471 -1.512 0.347) 1.621 4.914 ( -7.588 -5.270 0.305) 9.243 4.939 ( -7.881 -5.439 -0.416) 9.585 5.611 ( 8.453 -7.364 -0.571) 11.226 5.656 ( 7.899 -8.010 0.548) 11.263 7.425 ( -0.644 0.390 0.068) 0.755 7.430 ( -0.787 0.151 -0.070) 0.805 8.106 ( -6.307 9.708 0.183) 11.578 8.121 ( -5.795 9.533 -0.155) 11.157 8.715 ( 5.278 -6.663 0.078) 8.501 8.726 ( 5.240 -6.911 -0.092) 8.674 9.294 ( -2.600 3.390 -0.041) 4.272 9.307 ( -2.513 3.125 0.036) 4.010 9.527 ( -2.683 9.158 -0.089) 9.543 9.533 ( -2.840 8.814 0.126) 9.261 9.690 ( -0.780 1.894 -0.498) 2.108 9.708 ( -1.160 1.802 0.409) 2.182 9.843 ( -2.703 2.884 0.078) 3.953 9.855 ( -2.967 2.745 -0.055) 4.043 10.070 ( 1.650 -1.909 0.058) 2.523 10.071 ( 2.868 -5.353 0.049) 6.073 10.089 ( 2.871 -7.792 0.024) 8.304 10.116 ( 1.218 -4.041 -0.571) 4.260 10.751 ( 0.880 -0.055 -0.161) 0.897 10.760 ( 0.870 -0.028 0.154) 0.884 11.462 ( -1.226 1.291 0.766) 1.938 11.471 ( -1.364 0.804 0.707) 1.734 11.589 ( -0.035 1.254 -1.236) 1.761 11.614 ( -0.751 1.233 -0.137) 1.450 ======================= Grid point 333 (129/171) ======================= q-point: ( 0.70 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( -5.589 7.227 -1.682) 9.290 2.071 ( -3.139 6.592 1.399) 7.434 2.108 ( -9.674 17.471 -2.166) 20.088 2.230 ( -9.782 18.777 2.262) 21.293 2.563 ( 6.853 -10.374 -0.444) 12.441 2.582 ( 2.300 -3.531 -3.127) 5.247 2.614 ( 5.318 -13.331 0.280) 14.355 2.705 ( 0.503 -0.175 1.525) 1.615 2.774 ( 2.009 -3.186 -2.173) 4.348 2.868 ( 5.281 -2.804 0.864) 6.041 2.899 ( 3.282 -3.426 -0.447) 4.766 2.943 ( -0.696 1.638 -0.194) 1.790 2.955 ( 0.677 -1.082 0.320) 1.316 3.036 ( -3.508 -7.323 -0.108) 8.121 3.362 ( 1.624 0.375 -1.419) 2.189 3.456 ( -0.641 2.552 1.905) 3.249 3.498 ( 0.477 -0.619 -1.534) 1.721 3.573 ( 2.416 -1.878 1.353) 3.345 3.824 ( -6.899 10.026 0.370) 12.176 3.869 ( -1.133 2.475 -1.051) 2.918 4.010 ( 6.882 -7.569 0.539) 10.244 4.037 ( 2.134 -9.343 -0.400) 9.592 4.286 ( 0.405 -1.445 -1.234) 1.943 4.352 ( 0.399 -1.742 1.056) 2.076 4.491 ( -2.604 5.669 -0.069) 6.239 4.498 ( -2.896 4.897 -0.301) 5.697 5.035 ( -3.771 9.114 0.185) 9.865 5.065 ( -4.814 8.666 -0.355) 9.919 5.366 ( 5.872 -13.215 -0.461) 14.468 5.412 ( 6.370 -13.477 0.348) 14.911 7.432 ( 0.389 0.317 0.018) 0.502 7.436 ( 0.279 0.123 -0.022) 0.306 8.321 ( -5.555 9.986 -0.039) 11.427 8.325 ( -5.047 9.984 0.045) 11.187 8.549 ( 3.624 -8.886 0.020) 9.597 8.553 ( 4.096 -9.205 -0.063) 10.076 9.357 ( -0.830 2.299 -0.201) 2.452 9.368 ( -0.846 2.223 0.224) 2.389 9.663 ( -3.377 6.096 -0.035) 6.969 9.665 ( -3.345 5.386 -0.122) 6.341 9.706 ( -0.676 1.154 -0.485) 1.423 9.731 ( -0.023 0.407 0.449) 0.606 9.881 ( 1.258 -2.634 -0.152) 2.923 9.885 ( 2.629 -3.986 0.025) 4.775 9.967 ( -0.099 -0.888 0.163) 0.909 9.979 ( -0.095 -1.972 -0.201) 1.984 10.052 ( 1.452 -0.108 0.068) 1.458 10.071 ( 1.158 -1.692 -0.632) 2.146 10.737 ( 0.534 -0.032 -0.222) 0.579 10.748 ( 0.601 0.069 0.223) 0.644 11.492 ( -0.847 0.510 0.427) 1.078 11.499 ( -0.885 0.187 0.745) 1.172 11.587 ( 0.567 0.436 -1.758) 1.898 11.634 ( -0.411 0.538 0.413) 0.793 ======================= Grid point 334 (130/171) ======================= q-point: (-0.20 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( 2.462 0.000 -0.693) 2.558 2.070 ( 8.435 0.000 0.540) 8.452 2.168 ( 18.507 0.000 -1.644) 18.579 2.260 ( 17.766 0.000 0.923) 17.790 2.506 ( -17.214 -0.000 -1.938) 17.323 2.575 ( -3.420 0.000 -4.735) 5.841 2.662 ( -13.808 -0.000 2.474) 14.028 2.714 ( -2.271 -0.000 -0.152) 2.276 2.759 ( 1.839 0.000 0.133) 1.843 2.776 ( -6.929 -0.000 0.667) 6.961 2.869 ( 0.408 0.000 -0.632) 0.752 2.930 ( 1.810 -0.000 1.028) 2.081 3.014 ( -3.652 0.000 -1.176) 3.837 3.074 ( -6.567 -0.000 0.739) 6.609 3.342 ( -0.311 0.000 -3.318) 3.333 3.496 ( -1.653 -0.000 0.777) 1.826 3.501 ( -1.547 -0.000 -0.160) 1.555 3.503 ( 4.500 0.000 -0.571) 4.536 3.804 ( 11.746 0.000 -0.514) 11.758 3.887 ( 3.020 -0.000 2.287) 3.788 4.020 ( -10.168 -0.000 -1.227) 10.241 4.051 ( -10.271 -0.000 0.064) 10.271 4.283 ( -1.673 0.000 -1.237) 2.081 4.352 ( -1.133 -0.000 0.745) 1.356 4.482 ( 6.691 0.000 -0.329) 6.699 4.496 ( 6.134 0.000 0.098) 6.135 5.048 ( 9.159 0.000 -0.558) 9.176 5.086 ( 9.863 0.000 0.538) 9.878 5.356 ( -13.403 -0.000 -0.464) 13.411 5.378 ( -13.586 -0.000 0.184) 13.587 7.418 ( 1.284 0.000 -0.077) 1.286 7.423 ( 1.202 0.000 0.077) 1.204 8.311 ( 10.349 0.000 -0.020) 10.349 8.311 ( 10.353 0.000 -0.020) 10.353 8.586 ( -10.789 -0.000 -0.017) 10.789 8.587 ( -11.124 -0.000 0.002) 11.124 9.357 ( 2.111 0.000 -0.139) 2.115 9.369 ( 2.232 0.000 0.209) 2.242 9.656 ( 3.481 0.000 -0.465) 3.512 9.676 ( 4.927 0.000 0.114) 4.928 9.762 ( 5.405 0.000 -0.011) 5.405 9.767 ( 6.453 0.000 0.123) 6.454 9.817 ( -6.506 -0.000 -0.142) 6.507 9.822 ( -6.936 -0.000 0.009) 6.936 9.995 ( -1.570 -0.000 -0.096) 1.573 10.016 ( -1.900 -0.000 0.726) 2.034 10.024 ( 0.915 0.000 -0.876) 1.267 10.043 ( -0.401 0.000 -0.568) 0.695 10.731 ( -0.011 0.000 -0.147) 0.148 10.741 ( 0.271 -0.000 0.149) 0.309 11.504 ( -0.191 -0.000 0.036) 0.194 11.511 ( -0.031 -0.000 0.674) 0.674 11.564 ( 1.398 0.000 -1.875) 2.339 11.640 ( 0.375 -0.000 0.776) 0.862 ======================= Grid point 341 (131/171) ======================= q-point: ( 0.50 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( -0.000 24.776 1.275) 24.809 1.253 ( -0.000 13.736 0.141) 13.737 1.407 ( -0.000 17.358 0.487) 17.365 1.509 ( -0.000 15.438 -1.935) 15.559 2.389 ( -0.000 20.602 -2.457) 20.748 2.489 ( 0.000 18.908 -6.225) 19.907 2.689 ( -0.000 1.077 3.826) 3.974 2.703 ( -0.000 17.444 7.246) 18.889 2.908 ( -0.000 1.166 1.414) 1.832 2.909 ( 0.000 -1.648 -3.955) 4.285 3.037 ( -0.000 -3.620 3.641) 5.134 3.095 ( 0.000 -4.625 -3.198) 5.623 3.172 ( 0.000 -7.565 -4.579) 8.843 3.244 ( 0.000 1.490 -4.890) 5.112 3.487 ( -0.000 -3.113 5.537) 6.352 3.620 ( 0.000 -11.178 2.250) 11.402 3.751 ( 0.000 -11.911 -1.161) 11.968 3.787 ( 0.000 -16.584 -0.502) 16.592 3.809 ( 0.000 -6.181 0.064) 6.181 3.837 ( 0.000 -3.225 -1.032) 3.386 4.032 ( -0.000 5.578 0.292) 5.585 4.041 ( -0.000 5.057 -0.004) 5.057 4.419 ( 0.000 -1.786 0.204) 1.797 4.446 ( 0.000 -3.020 -0.522) 3.065 4.739 ( 0.000 -10.305 0.109) 10.305 4.746 ( 0.000 -10.266 -0.104) 10.267 4.861 ( 0.000 -11.459 0.278) 11.463 4.885 ( 0.000 -10.073 -0.417) 10.082 5.893 ( 0.000 -6.051 0.544) 6.076 5.928 ( 0.000 -6.674 -0.485) 6.692 7.400 ( -0.000 -0.085 0.044) 0.095 7.404 ( 0.000 -0.205 -0.058) 0.213 7.782 ( -0.000 10.943 0.415) 10.951 7.808 ( -0.000 11.152 -0.343) 11.157 8.935 ( 0.000 -4.108 0.094) 4.109 8.937 ( 0.000 -4.926 0.005) 4.926 9.155 ( -0.000 4.308 0.415) 4.328 9.184 ( -0.000 3.481 -0.433) 3.508 9.257 ( -0.000 11.159 0.019) 11.159 9.261 ( -0.000 11.014 -0.084) 11.014 9.608 ( -0.000 3.011 0.136) 3.014 9.622 ( -0.000 2.509 -0.297) 2.526 9.685 ( -0.000 6.480 0.355) 6.490 9.692 ( -0.000 6.507 0.185) 6.510 10.088 ( -0.000 -0.188 0.469) 0.506 10.158 ( 0.000 -2.133 -1.728) 2.745 10.349 ( 0.000 -10.089 0.149) 10.091 10.358 ( 0.000 -10.450 -0.103) 10.451 10.774 ( -0.000 -0.142 0.201) 0.247 10.790 ( 0.000 -0.466 -0.262) 0.534 11.389 ( -0.000 2.812 1.009) 2.987 11.406 ( -0.000 2.022 0.522) 2.088 11.545 ( 0.000 2.495 -0.583) 2.562 11.549 ( 0.000 3.073 -0.784) 3.171 ======================= Grid point 342 (132/171) ======================= q-point: ( 0.60 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( -2.751 19.319 0.897) 19.535 1.482 ( -3.855 24.588 0.200) 24.889 1.591 ( -0.958 17.377 0.224) 17.405 1.684 ( -3.547 14.310 -1.158) 14.788 2.541 ( -1.091 4.939 -3.605) 6.211 2.578 ( -2.710 5.632 -1.840) 6.515 2.755 ( -1.023 4.626 4.814) 6.754 2.862 ( 1.374 -2.415 -1.872) 3.350 2.914 ( 0.738 0.007 0.565) 0.929 2.948 ( 0.151 -0.844 2.104) 2.272 3.050 ( 0.036 -6.774 -0.324) 6.782 3.074 ( -4.960 17.389 2.972) 18.326 3.106 ( -1.540 0.103 -2.557) 2.987 3.288 ( -0.302 9.503 -4.205) 10.396 3.372 ( 5.296 -17.342 -0.316) 18.136 3.419 ( 2.561 -19.788 1.876) 20.041 3.600 ( 5.829 -5.416 2.329) 8.291 3.670 ( 0.976 -3.666 2.386) 4.482 3.715 ( 5.093 -1.572 -0.403) 5.345 3.818 ( 0.320 0.829 -2.198) 2.371 4.119 ( -2.650 6.886 0.300) 7.385 4.150 ( -4.635 7.172 -0.195) 8.542 4.387 ( 1.300 -2.294 -0.498) 2.683 4.420 ( -0.097 -3.529 0.202) 3.536 4.512 ( 8.359 -12.746 -0.097) 15.243 4.518 ( 8.735 -12.002 -0.005) 14.844 4.856 ( -8.255 -10.338 0.354) 13.235 4.877 ( -7.967 -9.786 -0.477) 12.628 5.794 ( 4.814 -5.851 -0.024) 7.577 5.832 ( 3.690 -6.389 0.081) 7.379 7.408 ( -0.822 0.116 0.065) 0.833 7.412 ( -0.959 -0.014 -0.066) 0.961 7.920 ( -3.234 10.506 0.412) 11.000 7.941 ( -2.948 10.473 -0.371) 10.887 8.854 ( 3.339 -5.479 0.034) 6.416 8.863 ( 2.943 -5.480 0.032) 6.221 9.215 ( -1.833 4.025 0.275) 4.431 9.232 ( -1.707 3.572 -0.289) 3.969 9.386 ( -1.653 10.891 -0.041) 11.015 9.392 ( -1.934 10.728 0.050) 10.901 9.647 ( -1.000 2.698 -0.135) 2.880 9.661 ( -1.564 2.403 0.019) 2.867 9.763 ( -1.780 5.037 0.368) 5.355 9.771 ( -1.977 4.975 0.050) 5.353 10.085 ( 0.328 -0.262 0.455) 0.619 10.127 ( 0.633 -1.773 -1.321) 2.300 10.228 ( 2.121 -9.978 -0.030) 10.201 10.236 ( 1.840 -10.093 0.078) 10.260 10.767 ( 0.711 -0.093 0.103) 0.724 10.777 ( 0.776 -0.269 -0.136) 0.833 11.428 ( -0.937 2.176 1.007) 2.574 11.439 ( -1.112 1.616 0.806) 2.121 11.566 ( -0.095 1.980 -0.916) 2.184 11.581 ( -0.770 2.167 -0.651) 2.391 ======================= Grid point 343 (133/171) ======================= q-point: ( 0.70 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( -6.543 17.018 0.531) 18.240 1.773 ( -4.753 17.659 -2.254) 18.426 1.856 ( -8.199 21.453 1.217) 22.999 1.902 ( -5.516 12.389 0.358) 13.567 2.559 ( 0.009 1.118 -2.105) 2.383 2.669 ( -2.312 1.825 1.561) 3.334 2.775 ( 2.213 -3.349 -0.223) 4.020 2.794 ( 3.121 -2.660 0.798) 4.177 2.879 ( 1.133 -0.973 -2.973) 3.327 2.931 ( 1.197 -4.082 3.611) 5.579 2.964 ( 2.363 -6.821 -1.103) 7.303 3.031 ( 5.168 -15.076 -2.054) 16.069 3.063 ( -2.321 -7.940 -0.763) 8.308 3.145 ( 6.173 -17.040 1.616) 18.196 3.355 ( 0.039 9.846 -0.190) 9.848 3.444 ( 1.029 10.175 1.764) 10.378 3.495 ( 3.435 4.311 -1.259) 5.654 3.623 ( 0.327 0.308 -0.105) 0.462 3.657 ( 0.701 1.172 3.927) 4.158 3.825 ( 0.037 2.706 -2.576) 3.737 4.210 ( 4.280 -9.602 0.042) 10.513 4.237 ( 7.071 -10.583 0.356) 12.733 4.292 ( -2.185 4.464 -0.072) 4.970 4.331 ( -3.591 5.170 0.311) 6.303 4.356 ( -1.152 2.882 -1.188) 3.323 4.399 ( 0.626 -1.885 0.210) 1.997 4.916 ( -7.600 -5.319 0.434) 9.286 4.936 ( -7.874 -5.421 -0.543) 9.575 5.607 ( 8.498 -7.475 -0.482) 11.328 5.660 ( 7.896 -7.904 0.459) 11.182 7.426 ( -0.662 0.357 0.094) 0.758 7.429 ( -0.767 0.183 -0.095) 0.794 8.108 ( -6.208 9.702 0.225) 11.520 8.119 ( -5.879 9.557 -0.197) 11.222 8.716 ( 5.315 -6.596 0.091) 8.472 8.726 ( 5.223 -6.994 -0.105) 8.729 9.294 ( -2.515 3.327 -0.039) 4.171 9.307 ( -2.588 3.215 0.034) 4.127 9.526 ( -2.672 9.164 -0.067) 9.546 9.534 ( -2.850 8.794 0.104) 9.245 9.686 ( -0.711 1.816 -0.384) 1.988 9.711 ( -1.231 1.858 0.295) 2.248 9.844 ( -2.604 2.707 0.062) 3.757 9.855 ( -2.923 2.880 -0.042) 4.103 10.070 ( 2.525 -4.069 0.033) 4.789 10.072 ( 2.203 -3.549 0.090) 4.179 10.089 ( 2.429 -6.559 0.066) 6.994 10.111 ( 1.512 -4.681 -0.626) 4.959 10.750 ( 0.923 -0.109 -0.129) 0.938 10.761 ( 0.823 0.029 0.122) 0.832 11.467 ( -1.129 1.252 0.667) 1.814 11.477 ( -1.286 0.892 1.007) 1.861 11.578 ( 0.093 1.122 -1.362) 1.767 11.612 ( -0.942 1.335 -0.213) 1.648 ======================= Grid point 344 (134/171) ======================= q-point: ( 0.80 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.945 ( -5.779 6.691 -1.162) 8.917 2.079 ( -4.260 9.964 0.415) 10.844 2.096 ( -8.261 14.529 -0.859) 16.735 2.245 ( -9.728 19.110 1.459) 21.493 2.550 ( 1.297 -0.634 -2.375) 2.779 2.571 ( 9.930 -14.739 -0.162) 17.773 2.616 ( 5.035 -12.232 0.233) 13.230 2.715 ( 0.849 0.171 1.130) 1.424 2.758 ( 0.850 -2.707 -1.785) 3.352 2.871 ( 2.411 -0.318 0.025) 2.432 2.898 ( 6.227 -6.429 0.250) 8.954 2.941 ( -0.687 1.836 -0.172) 1.967 2.956 ( 0.350 -1.334 0.086) 1.381 3.036 ( -3.675 -7.263 -0.096) 8.140 3.353 ( 2.577 -0.262 -0.843) 2.724 3.469 ( -0.618 2.670 1.317) 3.041 3.488 ( 0.443 -0.064 -1.030) 1.123 3.581 ( 3.082 -1.697 0.802) 3.608 3.828 ( -6.148 9.609 0.511) 11.419 3.861 ( -2.475 2.544 -1.026) 3.694 4.014 ( 6.992 -7.422 0.517) 10.210 4.034 ( 2.198 -9.386 -0.425) 9.649 4.278 ( 0.513 -1.623 -0.830) 1.894 4.359 ( 0.548 -1.566 0.683) 1.794 4.490 ( -2.602 5.515 0.016) 6.098 4.496 ( -3.075 5.057 -0.312) 5.926 5.036 ( -3.668 8.931 0.192) 9.657 5.062 ( -4.903 8.826 -0.328) 10.102 5.362 ( 5.614 -13.336 -0.340) 14.473 5.414 ( 6.644 -13.365 0.247) 14.927 7.432 ( 0.404 0.236 0.016) 0.468 7.436 ( 0.264 0.205 -0.019) 0.335 8.321 ( -5.463 10.006 -0.028) 11.400 8.325 ( -5.110 9.974 0.032) 11.206 8.549 ( 3.715 -8.857 0.021) 9.605 8.553 ( 3.991 -9.243 -0.056) 10.068 9.355 ( -0.820 2.297 -0.128) 2.442 9.370 ( -0.865 2.241 0.147) 2.407 9.663 ( -3.298 5.922 -0.014) 6.779 9.664 ( -3.186 5.316 -0.124) 6.199 9.703 ( -0.893 1.379 -0.296) 1.669 9.733 ( 0.003 0.359 0.278) 0.454 9.880 ( 1.116 -2.454 -0.123) 2.699 9.885 ( 2.773 -4.072 0.017) 4.927 9.968 ( -0.585 -0.805 0.168) 1.009 9.978 ( 0.457 -2.046 -0.191) 2.105 10.053 ( 1.490 -0.456 0.190) 1.569 10.066 ( 1.213 -1.377 -0.650) 1.947 10.735 ( 0.526 -0.048 -0.143) 0.547 10.749 ( 0.608 0.085 0.144) 0.631 11.495 ( -0.739 0.431 0.255) 0.893 11.506 ( -0.769 0.267 0.967) 1.264 11.574 ( 0.653 0.373 -1.576) 1.746 11.636 ( -0.609 0.589 0.215) 0.874 ======================= Grid point 345 (135/171) ======================= q-point: (-0.10 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( 2.011 0.000 -0.365) 2.044 2.073 ( 9.326 0.000 0.246) 9.329 2.158 ( 18.272 0.000 -0.860) 18.293 2.265 ( 17.752 0.000 0.420) 17.757 2.495 ( -18.335 -0.000 -0.691) 18.348 2.544 ( -2.394 0.000 -3.027) 3.859 2.677 ( -13.764 -0.000 1.451) 13.840 2.712 ( -1.454 0.000 -0.342) 1.494 2.760 ( 2.432 0.000 0.102) 2.435 2.780 ( -7.995 -0.000 0.377) 8.004 2.865 ( 0.130 0.000 -0.329) 0.354 2.936 ( 1.661 -0.000 0.513) 1.738 3.006 ( -3.377 0.000 -0.667) 3.442 3.079 ( -6.809 -0.000 0.383) 6.820 3.322 ( 0.234 0.000 -1.841) 1.856 3.495 ( -2.220 -0.000 -0.338) 2.245 3.500 ( 4.888 0.000 -0.353) 4.901 3.505 ( -1.250 -0.000 0.529) 1.358 3.801 ( 12.478 0.000 -0.224) 12.480 3.902 ( 2.850 -0.000 1.457) 3.201 4.012 ( -10.674 -0.000 -0.884) 10.711 4.051 ( -10.387 -0.000 0.012) 10.387 4.276 ( -1.696 0.000 -0.670) 1.824 4.356 ( -1.061 -0.000 0.365) 1.122 4.480 ( 6.754 0.000 -0.183) 6.756 4.497 ( 6.084 0.000 0.044) 6.084 5.045 ( 9.110 0.000 -0.293) 9.114 5.089 ( 9.941 0.000 0.281) 9.945 5.353 ( -13.408 -0.000 -0.254) 13.411 5.379 ( -13.627 -0.000 0.081) 13.627 7.418 ( 1.290 0.000 -0.041) 1.291 7.424 ( 1.194 0.000 0.040) 1.195 8.311 ( 10.338 0.000 -0.013) 10.338 8.311 ( 10.348 0.000 -0.012) 10.348 8.586 ( -10.751 -0.000 -0.010) 10.751 8.587 ( -11.144 -0.000 0.000) 11.144 9.356 ( 2.091 0.000 -0.069) 2.093 9.370 ( 2.234 0.000 0.112) 2.237 9.653 ( 3.379 0.000 -0.261) 3.389 9.676 ( 5.075 0.000 0.044) 5.075 9.762 ( 5.312 0.000 0.001) 5.312 9.768 ( 6.535 0.000 0.067) 6.535 9.816 ( -6.459 -0.000 -0.081) 6.459 9.822 ( -6.970 -0.000 -0.002) 6.970 9.995 ( -1.854 -0.000 0.007) 1.854 10.018 ( 1.335 0.000 -0.551) 1.445 10.022 ( -2.354 -0.000 0.725) 2.463 10.038 ( -0.114 0.000 -0.684) 0.693 10.730 ( -0.036 0.000 -0.078) 0.085 10.742 ( 0.295 -0.000 0.078) 0.305 11.504 ( -0.126 -0.000 0.016) 0.127 11.516 ( 0.092 -0.000 0.759) 0.765 11.551 ( 1.407 0.000 -1.407) 1.990 11.644 ( 0.234 -0.000 0.391) 0.456 ======================= Grid point 346 (136/171) ======================= q-point: ( 0.00 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( 1.856 0.000 -0.000) 1.856 2.073 ( 9.685 0.000 -0.000) 9.685 2.154 ( 18.142 0.000 -0.000) 18.142 2.267 ( 17.754 0.000 -0.000) 17.754 2.493 ( -19.577 -0.000 0.000) 19.577 2.532 ( -1.186 -0.000 0.000) 1.186 2.683 ( -14.232 -0.000 0.000) 14.232 2.710 ( -0.671 -0.000 0.000) 0.671 2.761 ( 2.643 0.000 -0.000) 2.643 2.782 ( -8.373 -0.000 0.000) 8.373 2.864 ( 0.029 0.000 -0.000) 0.029 2.938 ( 1.589 0.000 -0.000) 1.589 3.004 ( -3.281 -0.000 0.000) 3.281 3.080 ( -6.892 -0.000 0.000) 6.892 3.315 ( 0.450 0.000 -0.000) 0.450 3.494 ( -2.365 -0.000 0.000) 2.365 3.498 ( 5.009 0.000 -0.000) 5.009 3.507 ( -1.179 -0.000 0.000) 1.179 3.800 ( 12.720 0.000 -0.000) 12.720 3.908 ( 2.937 0.000 -0.000) 2.937 4.008 ( -10.986 -0.000 0.000) 10.986 4.051 ( -10.430 -0.000 0.000) 10.430 4.273 ( -1.703 -0.000 0.000) 1.703 4.357 ( -1.036 -0.000 0.000) 1.036 4.479 ( 6.776 0.000 -0.000) 6.776 4.497 ( 6.066 0.000 -0.000) 6.066 5.044 ( 9.093 0.000 -0.000) 9.093 5.090 ( 9.969 0.000 -0.000) 9.969 5.352 ( -13.411 -0.000 0.000) 13.411 5.380 ( -13.643 -0.000 0.000) 13.643 7.417 ( 1.293 0.000 -0.000) 1.293 7.424 ( 1.191 0.000 -0.000) 1.191 8.311 ( 10.292 0.000 -0.000) 10.292 8.311 ( 10.388 0.000 -0.000) 10.388 8.586 ( -10.737 -0.000 0.000) 10.737 8.587 ( -11.151 -0.000 0.000) 11.151 9.356 ( 2.084 0.000 -0.000) 2.084 9.371 ( 2.235 0.000 -0.000) 2.235 9.652 ( 3.345 0.000 -0.000) 3.345 9.676 ( 5.126 0.000 -0.000) 5.126 9.762 ( 5.281 0.000 -0.000) 5.281 9.769 ( 6.563 0.000 -0.000) 6.563 9.815 ( -6.442 -0.000 0.000) 6.442 9.822 ( -6.982 -0.000 0.000) 6.982 9.995 ( -2.033 -0.000 0.000) 2.033 10.016 ( 1.561 0.000 -0.000) 1.561 10.026 ( -3.280 -0.000 0.000) 3.280 10.034 ( 0.754 0.000 -0.000) 0.754 10.730 ( -0.045 -0.000 0.000) 0.045 10.743 ( 0.304 0.000 -0.000) 0.304 11.504 ( -0.102 -0.000 0.000) 0.102 11.520 ( 0.093 0.000 -0.000) 0.093 11.545 ( 1.454 0.000 -0.000) 1.454 11.646 ( 0.184 0.000 -0.000) 0.184 ======================= Grid point 352 (137/171) ======================= q-point: ( 0.60 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( 0.000 23.435 1.740) 23.500 1.252 ( 0.000 14.773 -0.420) 14.779 1.414 ( 0.000 17.762 1.293) 17.809 1.491 ( 0.000 15.845 -2.602) 16.057 2.373 ( -0.000 18.963 -1.586) 19.029 2.442 ( -0.000 17.832 -5.577) 18.683 2.721 ( -0.000 3.655 4.281) 5.629 2.758 ( -0.000 18.311 6.499) 19.430 2.881 ( 0.000 -0.561 -2.813) 2.868 2.920 ( -0.000 2.365 1.608) 2.859 3.060 ( 0.000 -3.206 1.897) 3.725 3.065 ( -0.000 -1.725 -4.311) 4.643 3.137 ( -0.000 -7.905 -3.612) 8.691 3.208 ( -0.000 -1.569 -4.396) 4.668 3.531 ( -0.000 -4.567 5.534) 7.175 3.634 ( -0.000 -12.319 0.855) 12.348 3.744 ( -0.000 -6.657 -0.465) 6.674 3.781 ( -0.000 -12.843 -0.947) 12.878 3.809 ( -0.000 -9.314 0.140) 9.315 3.829 ( -0.000 -6.158 -1.169) 6.268 4.035 ( -0.000 5.475 0.316) 5.485 4.041 ( -0.000 5.109 -0.037) 5.109 4.421 ( -0.000 -1.936 0.371) 1.971 4.441 ( -0.000 -2.829 -0.683) 2.911 4.740 ( -0.000 -10.291 0.151) 10.292 4.745 ( -0.000 -10.264 -0.145) 10.265 4.864 ( -0.000 -11.289 0.414) 11.297 4.881 ( -0.000 -10.274 -0.551) 10.289 5.898 ( -0.000 -6.123 0.738) 6.167 5.924 ( -0.000 -6.576 -0.678) 6.611 7.401 ( -0.000 -0.096 0.063) 0.115 7.403 ( -0.000 -0.183 -0.077) 0.199 7.786 ( -0.000 10.959 0.560) 10.973 7.804 ( -0.000 11.105 -0.488) 11.116 8.935 ( 0.000 -4.209 0.109) 4.210 8.937 ( 0.000 -4.806 -0.011) 4.806 9.159 ( -0.000 4.202 0.571) 4.240 9.180 ( -0.000 3.604 -0.589) 3.652 9.257 ( -0.000 11.157 0.044) 11.157 9.260 ( -0.000 11.049 -0.108) 11.050 9.609 ( 0.000 2.936 0.208) 2.943 9.619 ( 0.000 2.581 -0.360) 2.606 9.688 ( -0.000 6.515 0.393) 6.527 9.693 ( -0.000 6.522 0.133) 6.523 10.093 ( -0.000 -0.346 0.832) 0.901 10.143 ( -0.000 -1.731 -2.066) 2.695 10.350 ( 0.000 -10.123 0.203) 10.125 10.357 ( 0.000 -10.382 -0.171) 10.383 10.776 ( -0.000 -0.179 0.287) 0.338 10.787 ( -0.000 -0.413 -0.347) 0.539 11.397 ( 0.000 2.830 1.162) 3.059 11.410 ( 0.000 2.212 0.472) 2.262 11.541 ( -0.000 2.508 -0.641) 2.588 11.543 ( -0.000 2.986 -0.836) 3.101 ======================= Grid point 353 (138/171) ======================= q-point: ( 0.70 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( -2.228 20.655 0.786) 20.789 1.483 ( -3.879 23.542 0.138) 23.860 1.593 ( -0.838 16.585 0.220) 16.607 1.675 ( -3.907 15.085 -1.002) 15.614 2.518 ( -0.854 5.981 -2.253) 6.448 2.565 ( -3.382 7.463 -1.518) 8.333 2.788 ( -0.379 2.914 3.741) 4.757 2.848 ( 0.855 -1.022 -1.865) 2.292 2.920 ( 1.978 -1.926 0.922) 2.911 2.965 ( -0.346 -0.042 2.352) 2.377 3.037 ( 0.448 -4.719 -2.614) 5.413 3.084 ( -4.140 -6.236 -1.029) 7.556 3.110 ( -2.281 20.605 3.782) 21.073 3.254 ( -1.508 12.635 -4.293) 13.429 3.370 ( 5.908 -19.214 -0.296) 20.104 3.431 ( 2.401 -20.666 1.183) 20.839 3.618 ( 6.461 -3.984 2.246) 7.916 3.683 ( 3.053 -2.330 0.733) 3.910 3.717 ( 2.776 -2.111 1.400) 3.758 3.798 ( 0.205 0.478 -2.727) 2.776 4.121 ( -3.045 6.782 0.270) 7.439 4.149 ( -4.214 7.406 -0.178) 8.523 4.383 ( 1.461 -2.463 -0.380) 2.889 4.421 ( -0.247 -3.310 0.136) 3.322 4.511 ( 8.372 -12.661 -0.075) 15.179 4.518 ( 8.791 -12.174 -0.007) 15.016 4.859 ( -8.228 -10.259 0.477) 13.160 4.873 ( -8.029 -9.891 -0.576) 12.753 5.794 ( 5.073 -5.955 -0.017) 7.822 5.833 ( 3.456 -6.280 0.063) 7.168 7.409 ( -0.846 0.093 0.080) 0.855 7.411 ( -0.937 0.011 -0.080) 0.940 7.924 ( -3.147 10.510 0.487) 10.982 7.938 ( -3.025 10.471 -0.454) 10.909 8.855 ( 3.373 -5.354 0.029) 6.328 8.863 ( 2.937 -5.614 0.024) 6.336 9.217 ( -1.731 3.925 0.307) 4.300 9.229 ( -1.796 3.700 -0.319) 4.125 9.386 ( -1.632 10.892 -0.027) 11.014 9.392 ( -1.972 10.747 0.035) 10.926 9.646 ( -0.917 2.593 -0.104) 2.753 9.661 ( -1.682 2.486 0.011) 3.001 9.766 ( -1.751 4.997 0.359) 5.308 9.771 ( -1.879 5.009 -0.026) 5.349 10.089 ( 0.372 -0.372 0.732) 0.902 10.116 ( 0.554 -1.326 -1.418) 2.019 10.227 ( 2.203 -10.060 -0.005) 10.298 10.237 ( 1.791 -10.009 0.037) 10.168 10.767 ( 0.795 -0.173 0.106) 0.820 10.775 ( 0.683 -0.181 -0.132) 0.719 11.435 ( -0.820 2.155 0.814) 2.445 11.445 ( -1.167 1.770 0.797) 2.265 11.559 ( 0.032 1.918 -0.874) 2.108 11.576 ( -0.903 2.170 -0.541) 2.412 ======================= Grid point 354 (139/171) ======================= q-point: ( 0.80 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( -5.896 16.929 1.039) 17.957 1.756 ( -4.922 17.042 -2.012) 17.852 1.864 ( -8.342 22.073 0.717) 23.608 1.904 ( -5.671 12.648 0.176) 13.862 2.546 ( 0.456 1.727 -1.205) 2.155 2.678 ( -2.687 3.173 0.829) 4.240 2.774 ( 2.341 -3.428 -0.145) 4.153 2.805 ( 3.271 -3.500 1.901) 5.154 2.855 ( 1.765 -0.836 -3.161) 3.716 2.957 ( 1.235 -4.670 -0.141) 4.832 2.959 ( 2.134 -7.715 2.905) 8.515 3.013 ( 5.546 -14.343 -2.488) 15.578 3.059 ( -2.730 -7.932 -0.345) 8.396 3.155 ( 6.217 -17.151 0.852) 18.263 3.354 ( -0.694 10.777 -0.082) 10.800 3.456 ( 0.469 11.643 1.179) 11.712 3.487 ( 5.341 1.922 -0.816) 5.735 3.622 ( 0.331 0.344 -0.072) 0.482 3.685 ( 0.943 2.010 3.022) 3.750 3.805 ( -0.317 2.435 -2.291) 3.358 4.211 ( 4.744 -10.373 0.040) 11.407 4.239 ( 7.074 -10.498 0.209) 12.660 4.291 ( -2.784 5.668 -0.041) 6.315 4.334 ( -2.716 3.922 0.518) 4.799 4.347 ( -1.950 3.943 -1.031) 4.518 4.400 ( 0.720 -2.170 0.093) 2.289 4.920 ( -7.586 -5.383 0.491) 9.315 4.931 ( -7.891 -5.383 -0.557) 9.568 5.604 ( 8.534 -7.541 -0.268) 11.392 5.663 ( 7.893 -7.842 0.254) 11.129 7.427 ( -0.685 0.315 0.111) 0.762 7.429 ( -0.742 0.225 -0.112) 0.784 8.110 ( -6.088 9.695 0.188) 11.450 8.118 ( -5.988 9.578 -0.170) 11.297 8.716 ( 5.353 -6.519 0.066) 8.435 8.725 ( 5.200 -7.084 -0.075) 8.788 9.294 ( -2.452 3.282 -0.023) 4.097 9.307 ( -2.644 3.282 0.020) 4.214 9.526 ( -2.663 9.170 -0.034) 9.549 9.535 ( -2.858 8.777 0.057) 9.231 9.684 ( -0.665 1.774 -0.208) 1.906 9.713 ( -1.278 1.884 0.152) 2.282 9.844 ( -2.520 2.552 0.029) 3.587 9.855 ( -2.892 3.002 -0.018) 4.168 10.070 ( 3.032 -5.396 0.010) 6.190 10.073 ( 1.941 -2.706 0.075) 3.331 10.090 ( 1.811 -4.833 0.089) 5.162 10.107 ( 1.936 -5.734 -0.442) 6.068 10.749 ( 0.947 -0.140 -0.070) 0.960 10.762 ( 0.795 0.063 0.066) 0.800 11.472 ( -1.022 1.238 0.368) 1.647 11.485 ( -1.275 0.955 0.834) 1.798 11.569 ( 0.212 1.038 -0.984) 1.446 11.611 ( -1.089 1.386 -0.157) 1.770 ======================= Grid point 355 (140/171) ======================= q-point: ( 0.90 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( -5.887 6.439 -0.412) 8.734 2.078 ( -6.995 14.901 -0.213) 16.462 2.094 ( -5.364 9.817 0.068) 11.187 2.252 ( -9.680 19.274 0.503) 21.574 2.536 ( 1.218 0.250 -0.956) 1.569 2.571 ( 11.305 -16.576 0.039) 20.064 2.618 ( 4.882 -11.501 0.087) 12.494 2.722 ( 1.257 0.597 0.617) 1.522 2.747 ( -0.075 -2.620 -0.886) 2.767 2.870 ( 0.890 0.496 -0.082) 1.022 2.900 ( 7.763 -7.517 0.180) 10.808 2.940 ( -0.595 1.872 -0.064) 1.965 2.956 ( 0.094 -1.457 0.002) 1.460 3.035 ( -3.783 -7.225 -0.039) 8.156 3.349 ( 3.103 -0.590 -0.275) 3.171 3.477 ( -0.453 2.403 0.703) 2.544 3.482 ( 0.333 0.539 -0.596) 0.870 3.585 ( 3.479 -1.555 0.261) 3.820 3.832 ( -5.234 9.591 0.325) 10.931 3.854 ( -3.750 2.349 -0.514) 4.455 4.017 ( 7.302 -7.221 0.256) 10.273 4.031 ( 1.995 -9.535 -0.225) 9.744 4.273 ( 0.576 -1.705 -0.292) 1.823 4.363 ( 0.648 -1.482 0.235) 1.635 4.491 ( -2.428 5.297 0.073) 5.827 4.494 ( -3.363 5.277 -0.185) 6.261 5.038 ( -3.577 8.785 0.089) 9.485 5.061 ( -4.984 8.959 -0.140) 10.254 5.361 ( 5.477 -13.402 -0.124) 14.479 5.415 ( 6.791 -13.304 0.088) 14.938 7.433 ( 0.415 0.177 0.007) 0.451 7.436 ( 0.253 0.263 -0.008) 0.365 8.321 ( -5.417 10.017 -0.010) 11.388 8.325 ( -5.137 9.969 0.011) 11.215 8.549 ( 3.788 -8.829 0.010) 9.607 8.552 ( 3.908 -9.277 -0.023) 10.067 9.355 ( -0.816 2.298 -0.044) 2.439 9.371 ( -0.875 2.250 0.051) 2.415 9.663 ( -3.163 5.612 0.028) 6.442 9.663 ( -3.168 5.469 -0.084) 6.321 9.702 ( -1.027 1.521 -0.098) 1.838 9.735 ( 0.014 0.334 0.094) 0.347 9.879 ( 1.039 -2.354 -0.048) 2.574 9.885 ( 2.853 -4.117 0.006) 5.009 9.969 ( -1.170 -0.665 0.082) 1.348 9.976 ( 1.081 -2.176 -0.089) 2.432 10.054 ( 1.524 -0.863 0.211) 1.764 10.062 ( 1.235 -0.991 -0.387) 1.630 10.735 ( 0.521 -0.056 -0.049) 0.527 10.750 ( 0.612 0.094 0.050) 0.621 11.496 ( -0.661 0.422 0.087) 0.789 11.512 ( -0.743 0.276 0.520) 0.948 11.564 ( 0.732 0.345 -0.725) 1.086 11.637 ( -0.721 0.611 0.065) 0.947 ======================= Grid point 363 (141/171) ======================= q-point: ( 0.70 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( -0.000 21.491 1.933) 21.578 1.246 ( -0.000 16.689 -1.183) 16.731 1.427 ( 0.000 17.607 2.205) 17.745 1.470 ( 0.000 16.401 -2.925) 16.659 2.367 ( 0.000 18.047 0.236) 18.049 2.404 ( 0.000 17.510 -4.293) 18.029 2.754 ( -0.000 5.547 4.080) 6.886 2.793 ( 0.000 14.169 1.419) 14.240 2.875 ( -0.000 4.357 2.041) 4.811 2.927 ( 0.000 6.271 -0.501) 6.291 3.035 ( -0.000 -2.137 -2.515) 3.300 3.057 ( -0.000 -3.720 -2.672) 4.580 3.128 ( -0.000 -7.326 1.401) 7.458 3.176 ( -0.000 -4.184 -3.799) 5.651 3.572 ( -0.000 -6.663 4.990) 8.325 3.630 ( 0.000 -11.813 -1.838) 11.955 3.746 ( 0.000 -3.898 1.086) 4.047 3.771 ( -0.000 -8.251 -1.523) 8.390 3.811 ( -0.000 -11.324 0.295) 11.327 3.820 ( -0.000 -9.613 -0.939) 9.659 4.037 ( 0.000 5.369 0.267) 5.375 4.040 ( 0.000 5.181 -0.099) 5.181 4.425 ( 0.000 -2.135 0.550) 2.205 4.435 ( 0.000 -2.603 -0.740) 2.706 4.741 ( 0.000 -10.278 0.177) 10.279 4.744 ( -0.000 -10.264 -0.173) 10.265 4.867 ( 0.000 -11.063 0.529) 11.076 4.877 ( 0.000 -10.526 -0.613) 10.544 5.905 ( 0.000 -6.219 0.850) 6.277 5.918 ( -0.000 -6.458 -0.813) 6.509 7.401 ( -0.000 -0.113 0.077) 0.137 7.402 ( -0.000 -0.159 -0.086) 0.181 7.790 ( 0.000 10.983 0.641) 11.001 7.800 ( 0.000 11.058 -0.597) 11.074 8.936 ( -0.000 -4.342 0.099) 4.343 8.937 ( -0.000 -4.656 -0.039) 4.657 9.164 ( 0.000 4.066 0.672) 4.121 9.175 ( 0.000 3.753 -0.684) 3.814 9.258 ( -0.000 11.146 0.074) 11.146 9.259 ( -0.000 11.088 -0.113) 11.089 9.611 ( -0.000 2.847 0.277) 2.860 9.616 ( -0.000 2.664 -0.367) 2.689 9.691 ( 0.000 6.540 0.322) 6.548 9.693 ( 0.000 6.539 -0.004) 6.539 10.101 ( -0.000 -0.581 1.270) 1.396 10.127 ( -0.000 -1.297 -2.021) 2.402 10.352 ( -0.000 -10.171 0.237) 10.174 10.356 ( -0.000 -10.306 -0.223) 10.308 10.778 ( -0.000 -0.228 0.352) 0.419 10.784 ( -0.000 -0.351 -0.389) 0.524 11.406 ( 0.000 2.794 0.967) 2.957 11.413 ( -0.000 2.446 0.108) 2.449 11.536 ( -0.000 2.562 -0.428) 2.598 11.537 ( 0.000 2.844 -0.554) 2.897 ======================= Grid point 364 (142/171) ======================= q-point: ( 0.80 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( -1.823 21.840 0.319) 21.918 1.484 ( -3.963 22.544 0.044) 22.889 1.594 ( -0.713 15.932 0.097) 15.948 1.669 ( -4.199 15.709 -0.404) 16.266 2.506 ( -0.564 6.385 -0.754) 6.454 2.556 ( -3.879 8.693 -0.597) 9.538 2.813 ( 0.169 1.119 2.510) 2.754 2.833 ( 0.308 0.656 -1.877) 2.012 2.927 ( 3.116 -3.854 0.507) 4.982 2.985 ( -0.614 0.723 2.392) 2.573 3.014 ( -0.081 -2.217 -2.834) 3.599 3.078 ( -4.078 -6.614 -0.342) 7.777 3.138 ( -1.222 16.983 2.590) 17.223 3.225 ( -2.869 15.776 -2.589) 16.243 3.368 ( 6.214 -20.076 -0.116) 21.017 3.437 ( 2.306 -21.210 0.398) 21.339 3.632 ( 7.186 -3.127 1.086) 7.912 3.683 ( 4.077 -1.672 -0.369) 4.422 3.733 ( 1.494 -2.465 1.971) 3.492 3.778 ( -0.086 0.353 -2.070) 2.101 4.123 ( -3.350 6.683 0.112) 7.477 4.147 ( -3.894 7.588 -0.075) 8.529 4.381 ( 1.556 -2.557 -0.142) 2.996 4.422 ( -0.334 -3.189 0.047) 3.207 4.511 ( 8.382 -12.622 -0.028) 15.151 4.518 ( 8.824 -12.269 -0.003) 15.113 4.863 ( -8.200 -10.170 0.559) 13.076 4.868 ( -8.079 -9.997 -0.597) 12.867 5.794 ( 5.228 -6.016 -0.006) 7.970 5.833 ( 3.316 -6.214 0.024) 7.043 7.409 ( -0.872 0.065 0.071) 0.877 7.410 ( -0.912 0.041 -0.071) 0.916 7.927 ( -3.016 10.525 0.366) 10.954 7.934 ( -3.150 10.458 -0.353) 10.928 8.855 ( 3.395 -5.276 0.012) 6.274 8.863 ( 2.933 -5.698 0.009) 6.409 9.219 ( -1.596 3.804 0.178) 4.129 9.227 ( -1.923 3.837 -0.183) 4.296 9.386 ( -1.620 10.894 -0.009) 11.014 9.392 ( -1.995 10.758 0.012) 10.941 9.645 ( -0.873 2.536 -0.039) 2.683 9.661 ( -1.747 2.529 0.003) 3.074 9.768 ( -1.740 4.888 0.248) 5.194 9.770 ( -1.812 5.115 -0.122) 5.428 10.096 ( 0.435 -0.591 0.999) 1.239 10.106 ( 0.472 -0.902 -1.258) 1.618 10.227 ( 2.248 -10.103 0.001) 10.350 10.237 ( 1.765 -9.963 0.009) 10.118 10.768 ( 0.877 -0.248 0.050) 0.912 10.775 ( 0.596 -0.100 -0.060) 0.607 11.439 ( -0.718 2.128 0.305) 2.267 11.450 ( -1.241 1.894 0.357) 2.293 11.554 ( 0.125 1.878 -0.376) 1.919 11.573 ( -0.989 2.160 -0.212) 2.385 ======================= Grid point 365 (143/171) ======================= q-point: ( 0.90 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( -5.677 21.664 -0.000) 22.395 1.742 ( -4.974 12.063 -0.000) 13.049 1.867 ( -8.383 22.366 -0.000) 23.885 1.904 ( -5.730 12.665 -0.000) 13.901 2.541 ( 0.629 1.961 -0.000) 2.059 2.682 ( -2.829 3.739 0.000) 4.689 2.773 ( 2.408 -3.502 -0.000) 4.250 2.818 ( 3.704 -5.663 -0.000) 6.767 2.837 ( 1.587 0.973 -0.000) 1.861 2.955 ( 1.973 -6.652 0.000) 6.939 2.977 ( -0.655 -3.705 0.000) 3.763 2.998 ( 7.609 -16.514 0.000) 18.182 3.058 ( -2.800 -7.994 0.000) 8.470 3.158 ( 6.231 -17.194 0.000) 18.288 3.354 ( -0.947 11.111 -0.000) 11.151 3.461 ( -0.513 13.321 -0.000) 13.331 3.484 ( 6.792 -0.053 -0.000) 6.792 3.622 ( 0.324 0.365 -0.000) 0.488 3.698 ( 1.205 2.388 -0.000) 2.675 3.795 ( -0.599 2.236 -0.000) 2.315 4.211 ( 4.916 -10.663 0.000) 11.741 4.240 ( 7.091 -10.487 -0.000) 12.660 4.291 ( -3.031 6.159 0.000) 6.864 4.338 ( -0.871 0.488 0.000) 0.999 4.341 ( -3.754 7.286 0.000) 8.196 4.400 ( 0.752 -2.276 0.000) 2.397 4.923 ( -7.493 -5.456 0.000) 9.269 4.928 ( -7.986 -5.319 0.000) 9.595 5.603 ( 8.548 -7.563 -0.000) 11.414 5.664 ( 7.893 -7.821 -0.000) 11.111 7.428 ( -0.711 0.268 0.000) 0.759 7.428 ( -0.716 0.272 0.000) 0.766 8.110 ( -6.015 9.693 0.000) 11.407 8.117 ( -6.057 9.586 0.000) 11.339 8.716 ( 5.371 -6.479 -0.000) 8.416 8.725 ( 5.187 -7.129 -0.000) 8.816 9.294 ( -2.429 3.266 0.000) 4.070 9.307 ( -2.664 3.306 0.000) 4.246 9.525 ( -2.660 9.172 -0.000) 9.550 9.535 ( -2.861 8.771 -0.000) 9.226 9.683 ( -0.649 1.760 -0.000) 1.876 9.714 ( -1.295 1.891 0.000) 2.292 9.844 ( -2.487 2.491 0.000) 3.520 9.855 ( -2.881 3.050 0.000) 4.196 10.070 ( 3.160 -5.740 -0.000) 6.552 10.073 ( 1.933 -2.615 -0.000) 3.252 10.090 ( 1.441 -3.792 0.000) 4.057 10.105 ( 2.206 -6.450 0.000) 6.817 10.749 ( 0.955 -0.151 -0.000) 0.966 10.762 ( 0.785 0.075 -0.000) 0.789 11.473 ( -0.975 1.241 0.000) 1.578 11.489 ( -1.291 0.975 0.000) 1.618 11.565 ( 0.272 1.007 -0.000) 1.043 11.610 ( -1.145 1.401 0.000) 1.809 ======================= Grid point 375 (144/171) ======================= q-point: (-0.20 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( -0.000 19.113 -1.750) 19.193 1.234 ( -0.000 19.113 1.750) 19.193 1.447 ( -0.000 17.047 -2.731) 17.264 1.447 ( -0.000 17.047 2.731) 17.264 2.377 ( -0.000 17.612 -2.388) 17.773 2.377 ( -0.000 17.612 2.388) 17.773 2.783 ( 0.000 7.770 -3.049) 8.347 2.783 ( -0.000 7.770 3.049) 8.347 2.906 ( 0.000 9.580 -4.488) 10.579 2.906 ( -0.000 9.580 4.488) 10.579 3.034 ( 0.000 -4.380 -1.844) 4.753 3.034 ( 0.000 -4.380 1.844) 4.753 3.148 ( 0.000 -5.862 -3.229) 6.693 3.148 ( -0.000 -5.862 3.229) 6.693 3.607 ( 0.000 -9.302 -3.816) 10.054 3.607 ( -0.000 -9.302 3.816) 10.054 3.758 ( 0.000 -4.814 -1.795) 5.137 3.758 ( -0.000 -4.814 1.795) 5.137 3.814 ( 0.000 -11.603 -0.568) 11.617 3.814 ( 0.000 -11.603 0.568) 11.617 4.039 ( -0.000 5.269 -0.141) 5.271 4.039 ( -0.000 5.269 0.141) 5.271 4.430 ( 0.000 -2.365 -0.567) 2.432 4.430 ( 0.000 -2.365 0.567) 2.432 4.743 ( 0.000 -10.268 -0.171) 10.270 4.743 ( 0.000 -10.268 0.171) 10.270 4.872 ( 0.000 -10.800 -0.601) 10.816 4.872 ( 0.000 -10.800 0.601) 10.816 5.911 ( 0.000 -6.334 -0.791) 6.384 5.911 ( 0.000 -6.334 0.791) 6.384 7.402 ( 0.000 -0.134 -0.085) 0.159 7.402 ( -0.000 -0.134 0.085) 0.159 7.795 ( -0.000 11.016 -0.649) 11.035 7.795 ( -0.000 11.016 0.649) 11.035 8.937 ( 0.000 -4.496 -0.038) 4.496 8.937 ( 0.000 -4.496 0.038) 4.496 9.169 ( -0.000 3.912 -0.709) 3.975 9.169 ( -0.000 3.912 0.709) 3.975 9.258 ( -0.000 11.123 -0.085) 11.123 9.258 ( -0.000 11.123 0.085) 11.123 9.613 ( -0.000 2.754 -0.300) 2.771 9.613 ( -0.000 2.754 0.300) 2.771 9.693 ( -0.000 6.548 -0.164) 6.550 9.693 ( -0.000 6.548 0.164) 6.550 10.113 ( 0.000 -0.901 -1.707) 1.930 10.113 ( -0.000 -0.901 1.707) 1.930 10.354 ( 0.000 -10.233 -0.234) 10.236 10.354 ( 0.000 -10.233 0.234) 10.236 10.781 ( 0.000 -0.287 -0.386) 0.481 10.781 ( -0.000 -0.287 0.386) 0.481 11.411 ( -0.000 2.663 -0.450) 2.701 11.411 ( -0.000 2.663 0.450) 2.701 11.535 ( -0.000 2.682 -0.011) 2.682 11.535 ( -0.000 2.682 0.011) 2.682 ======================= Grid point 393 (145/171) ======================= q-point: ( 0.40 0.70 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.039 ( 4.066 -0.000 1.106) 4.213 2.057 ( 6.197 0.000 -1.047) 6.285 2.201 ( 18.503 0.000 2.452) 18.665 2.237 ( 18.032 -0.000 -1.995) 18.142 2.552 ( -16.413 -0.000 3.701) 16.825 2.612 ( -15.291 -0.000 -3.770) 15.749 2.654 ( -3.820 0.000 4.687) 6.047 2.705 ( -3.364 -0.000 -1.691) 3.765 2.759 ( -0.194 -0.000 0.102) 0.219 2.764 ( -3.417 0.000 -0.668) 3.482 2.884 ( 1.225 0.000 1.272) 1.766 2.908 ( 1.848 -0.000 -1.686) 2.502 3.036 ( -4.586 0.000 1.529) 4.834 3.058 ( -5.697 -0.000 -1.290) 5.841 3.405 ( -1.492 -0.000 4.309) 4.560 3.464 ( -1.833 0.000 -3.028) 3.539 3.510 ( 0.184 -0.000 0.479) 0.513 3.511 ( 2.763 0.000 0.306) 2.780 3.818 ( 8.890 -0.000 1.419) 9.003 3.848 ( 5.237 0.000 -2.373) 5.749 4.038 ( -9.755 -0.000 0.915) 9.798 4.048 ( -9.934 0.000 -0.375) 9.941 4.308 ( -1.560 -0.000 1.776) 2.364 4.334 ( -1.353 0.000 -1.475) 2.002 4.488 ( 6.496 0.000 0.415) 6.509 4.493 ( 6.295 -0.000 -0.262) 6.300 5.060 ( 9.346 0.000 0.900) 9.390 5.074 ( 9.613 -0.000 -0.888) 9.654 5.365 ( -13.409 -0.000 0.630) 13.424 5.374 ( -13.476 0.000 -0.456) 13.483 7.420 ( 1.260 0.000 0.126) 1.267 7.422 ( 1.229 -0.000 -0.126) 1.235 8.312 ( 10.368 -0.680 0.012) 10.390 8.312 ( 10.368 0.680 0.012) 10.390 8.587 ( -10.913 0.000 0.020) 10.913 8.587 ( -11.041 -0.000 -0.011) 11.041 9.360 ( 2.167 0.000 0.267) 2.184 9.365 ( 2.214 -0.000 -0.310) 2.235 9.665 ( 3.870 0.000 0.579) 3.913 9.672 ( 4.426 -0.000 -0.360) 4.440 9.763 ( 5.744 0.000 0.089) 5.745 9.765 ( 6.151 -0.000 -0.162) 6.153 9.819 ( -6.658 0.000 0.164) 6.660 9.821 ( -6.819 -0.000 -0.082) 6.819 9.999 ( -1.356 -0.000 0.365) 1.404 10.006 ( -1.517 0.000 -0.549) 1.614 10.038 ( 0.225 -0.000 0.826) 0.856 10.046 ( -0.233 0.000 -0.137) 0.270 10.734 ( 0.077 -0.000 0.239) 0.251 10.738 ( 0.184 0.000 -0.240) 0.303 11.503 ( -0.342 -0.000 -0.042) 0.345 11.504 ( -0.315 0.000 -0.177) 0.362 11.595 ( 1.252 0.000 1.938) 2.307 11.622 ( 0.829 -0.000 -1.477) 1.693 ======================= Grid point 404 (146/171) ======================= q-point: ( 0.40 -0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( -5.220 9.162 0.869) 10.581 2.049 ( -3.353 3.969 -0.823) 5.260 2.149 ( -10.220 19.291 2.138) 21.936 2.190 ( -9.632 17.269 -2.124) 19.887 2.563 ( 7.030 -11.049 -0.040) 13.096 2.610 ( 4.465 -14.978 -0.078) 15.630 2.641 ( 0.149 -0.123 3.118) 3.123 2.672 ( -0.056 -1.150 -2.407) 2.668 2.806 ( 4.106 -3.831 1.333) 5.771 2.846 ( 6.691 -5.659 -1.142) 8.837 2.912 ( 1.134 0.878 0.651) 1.575 2.942 ( 2.157 -1.530 -0.288) 2.660 2.949 ( -1.253 1.348 -0.111) 1.843 3.038 ( -3.257 -7.418 0.027) 8.102 3.388 ( -1.034 2.605 1.361) 3.116 3.425 ( 0.499 0.953 -1.487) 1.835 3.527 ( 0.585 -1.499 2.049) 2.605 3.545 ( 1.173 -1.919 -2.016) 3.020 3.821 ( -7.516 10.737 -0.055) 13.107 3.881 ( 0.445 2.358 0.290) 2.417 4.003 ( 6.851 -7.793 -0.156) 10.378 4.041 ( 1.871 -9.361 0.097) 9.547 4.306 ( 0.187 -0.577 0.838) 1.034 4.335 ( 0.219 -2.598 -0.784) 2.722 4.492 ( -2.536 5.796 0.041) 6.326 4.501 ( -2.701 4.749 0.076) 5.463 5.033 ( -3.885 9.340 -0.041) 10.116 5.069 ( -4.720 8.480 0.095) 9.705 5.372 ( 6.462 -12.947 0.179) 14.472 5.407 ( 5.750 -13.735 -0.145) 14.891 7.432 ( 0.370 0.427 -0.005) 0.565 7.436 ( 0.299 0.012 0.006) 0.299 8.322 ( -5.826 9.937 0.018) 11.519 8.324 ( -4.825 10.016 -0.020) 11.118 8.548 ( 3.516 -8.913 -0.004) 9.581 8.554 ( 4.229 -9.165 0.018) 10.093 9.360 ( -0.900 2.365 0.176) 2.536 9.365 ( -0.760 2.132 -0.183) 2.271 9.664 ( -3.424 6.197 0.014) 7.080 9.666 ( -3.658 5.639 0.028) 6.721 9.716 ( -0.267 0.791 0.687) 1.081 9.722 ( -0.150 0.525 -0.669) 0.863 9.883 ( 1.596 -3.018 0.053) 3.415 9.885 ( 2.295 -3.762 -0.016) 4.407 9.965 ( 0.292 -0.909 -0.040) 0.956 9.981 ( -0.599 -1.952 0.056) 2.043 10.051 ( 1.373 0.283 0.009) 1.402 10.078 ( 1.087 -2.038 0.164) 2.315 10.741 ( 0.551 0.032 0.282) 0.620 10.744 ( 0.584 0.005 -0.282) 0.649 11.486 ( -0.997 0.692 -0.173) 1.226 11.493 ( -1.120 0.001 -0.110) 1.125 11.611 ( 0.288 0.800 1.022) 1.330 11.624 ( 0.069 0.196 -0.686) 0.717 ======================= Grid point 405 (147/171) ======================= q-point: (-0.50 -0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.048 ( 5.094 0.000 -0.964) 5.185 2.048 ( 5.094 -0.000 0.964) 5.185 2.220 ( 18.277 0.000 -2.321) 18.424 2.220 ( 18.277 0.000 2.321) 18.424 2.582 ( -15.952 0.000 -3.468) 16.325 2.582 ( -15.952 -0.000 3.468) 16.324 2.686 ( -3.743 0.000 -3.292) 4.985 2.686 ( -3.743 -0.000 3.293) 4.985 2.760 ( -1.620 0.000 -0.266) 1.642 2.760 ( -1.620 -0.000 0.266) 1.642 2.895 ( 1.607 0.000 -1.546) 2.230 2.895 ( 1.607 -0.000 1.546) 2.230 3.048 ( -5.146 0.000 -0.536) 5.174 3.048 ( -5.146 -0.000 0.536) 5.174 3.437 ( -1.788 0.000 -3.785) 4.186 3.437 ( -1.788 -0.000 3.785) 4.186 3.512 ( 1.490 0.000 -0.037) 1.491 3.512 ( 1.490 0.000 0.037) 1.491 3.831 ( 7.026 0.000 -1.584) 7.202 3.831 ( 7.026 -0.000 1.584) 7.202 4.044 ( -9.800 -0.000 -0.138) 9.801 4.044 ( -9.800 -0.000 0.138) 9.801 4.322 ( -1.466 0.000 -1.556) 2.138 4.322 ( -1.466 -0.000 1.556) 2.138 4.491 ( 6.392 0.000 -0.216) 6.396 4.491 ( 6.392 0.000 0.216) 6.396 5.067 ( 9.475 0.000 -0.637) 9.496 5.067 ( 9.475 0.000 0.637) 9.496 5.369 ( -13.433 -0.000 -0.296) 13.437 5.369 ( -13.433 -0.000 0.296) 13.437 7.421 ( 1.245 0.000 -0.079) 1.248 7.421 ( 1.245 0.000 0.079) 1.248 8.312 ( 10.371 0.000 0.000) 10.371 8.312 ( 10.371 0.000 0.000) 10.371 8.587 ( -10.981 -0.000 -0.001) 10.981 8.587 ( -10.981 -0.000 0.001) 10.981 9.362 ( 2.194 0.000 -0.304) 2.215 9.362 ( 2.194 0.000 0.304) 2.215 9.669 ( 4.137 0.000 -0.452) 4.162 9.669 ( 4.137 0.000 0.452) 4.162 9.764 ( 5.951 0.000 -0.057) 5.951 9.764 ( 5.951 0.000 0.057) 5.951 9.820 ( -6.742 -0.000 -0.036) 6.742 9.820 ( -6.742 -0.000 0.036) 6.742 10.002 ( -1.405 0.000 -0.169) 1.416 10.002 ( -1.405 -0.000 0.169) 1.416 10.044 ( -0.028 0.000 -0.197) 0.199 10.044 ( -0.028 -0.000 0.197) 0.199 10.736 ( 0.131 0.000 -0.250) 0.282 10.736 ( 0.131 -0.000 0.250) 0.282 11.503 ( -0.364 -0.000 -0.002) 0.364 11.503 ( -0.364 -0.000 0.002) 0.364 11.609 ( 1.065 0.000 -1.717) 2.020 11.609 ( 1.065 -0.000 1.717) 2.020 ======================= Grid point 415 (148/171) ======================= q-point: ( 0.40 -0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( -7.828 17.654 -0.000) 19.311 1.817 ( -4.496 18.592 -0.000) 19.128 1.825 ( -8.067 21.548 -0.000) 23.009 1.894 ( -5.099 10.265 0.000) 11.462 2.611 ( -1.422 0.164 0.000) 1.431 2.625 ( -1.166 -1.344 0.000) 1.779 2.779 ( 1.738 -3.188 -0.000) 3.631 2.806 ( 4.845 -6.299 -0.000) 7.947 2.863 ( -2.297 2.690 0.000) 3.537 2.919 ( 0.046 -0.128 0.000) 0.136 2.988 ( 1.947 -4.430 0.000) 4.839 3.067 ( 6.673 -18.841 0.000) 19.988 3.078 ( -1.465 -8.142 0.000) 8.272 3.103 ( 5.840 -16.368 0.000) 17.379 3.361 ( 3.349 6.275 -0.000) 7.113 3.412 ( -1.504 10.999 -0.000) 11.101 3.525 ( 0.065 9.669 -0.000) 9.669 3.590 ( 1.412 -2.876 -0.000) 3.204 3.624 ( 0.489 -0.103 -0.000) 0.500 3.859 ( 0.348 3.010 -0.000) 3.030 4.210 ( 2.778 -7.210 0.000) 7.727 4.230 ( 7.515 -11.448 -0.000) 13.695 4.293 ( -0.869 1.784 0.000) 1.985 4.328 ( -4.613 6.578 0.000) 8.035 4.377 ( 0.026 1.813 -0.000) 1.813 4.391 ( 0.112 -1.200 0.000) 1.205 4.911 ( -7.571 -5.225 0.000) 9.199 4.943 ( -7.894 -5.449 0.000) 9.592 5.617 ( 8.408 -7.147 -0.000) 11.035 5.650 ( 7.899 -8.222 -0.000) 11.401 7.425 ( -0.628 0.418 0.000) 0.755 7.431 ( -0.805 0.122 0.000) 0.814 8.105 ( -6.391 9.713 0.000) 11.627 8.122 ( -5.726 9.508 0.000) 11.099 8.714 ( 5.245 -6.716 -0.000) 8.522 8.727 ( 5.252 -6.840 -0.000) 8.624 9.295 ( -2.707 3.472 0.000) 4.402 9.306 ( -2.416 3.013 0.000) 3.862 9.528 ( -2.694 9.164 -0.000) 9.552 9.532 ( -2.830 8.823 -0.000) 9.266 9.696 ( -0.916 2.222 -0.000) 2.404 9.703 ( -1.023 1.499 0.000) 1.814 9.842 ( -2.804 3.055 0.000) 4.147 9.856 ( -3.026 2.621 0.000) 4.004 10.069 ( 0.950 -0.369 -0.000) 1.019 10.071 ( 3.406 -6.680 -0.000) 7.499 10.089 ( 3.172 -8.639 0.000) 9.203 10.121 ( 1.011 -3.674 0.000) 3.811 10.753 ( 0.776 0.075 -0.000) 0.780 10.758 ( 0.980 -0.162 -0.000) 0.993 11.455 ( -1.305 1.323 0.000) 1.858 11.465 ( -1.491 0.727 0.000) 1.658 11.600 ( -0.233 1.544 -0.000) 1.562 11.614 ( -0.474 0.969 0.000) 1.079 ======================= Grid point 425 (149/171) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( -0.000 18.692 -0.000) 18.692 1.701 ( -0.000 22.932 -0.000) 22.932 1.762 ( -0.000 17.692 -0.000) 17.692 1.795 ( -0.000 11.919 -0.000) 11.919 2.583 ( 0.000 -0.819 0.000) 0.819 2.603 ( 0.000 -2.100 0.000) 2.100 2.759 ( -0.000 10.848 -0.000) 10.848 2.848 ( 0.000 -5.980 0.000) 5.980 2.913 ( -0.000 0.773 -0.000) 0.773 2.931 ( 0.000 -9.894 0.000) 9.894 2.947 ( 0.000 -0.473 0.000) 0.473 3.046 ( 0.000 -5.512 0.000) 5.512 3.184 ( 0.000 -23.334 0.000) 23.334 3.202 ( 0.000 -19.053 0.000) 19.053 3.327 ( -0.000 29.516 -0.000) 29.516 3.510 ( -0.000 12.540 -0.000) 12.540 3.552 ( 0.000 -3.224 0.000) 3.224 3.589 ( 0.000 -3.794 0.000) 3.794 3.791 ( -0.000 1.010 -0.000) 1.010 3.876 ( -0.000 6.348 -0.000) 6.348 4.165 ( -0.000 7.270 -0.000) 7.270 4.166 ( -0.000 7.733 -0.000) 7.733 4.382 ( 0.000 -4.167 0.000) 4.167 4.393 ( 0.000 -0.830 0.000) 0.830 4.528 ( 0.000 -10.301 0.000) 10.301 4.538 ( 0.000 -10.323 0.000) 10.323 4.542 ( 0.000 -19.630 0.000) 19.630 4.625 ( 0.000 -15.339 0.000) 15.339 5.797 ( 0.000 -2.889 0.000) 2.889 5.821 ( 0.000 -4.015 0.000) 4.015 7.399 ( 0.000 -0.016 0.000) 0.016 7.401 ( 0.000 -0.117 0.000) 0.117 7.984 ( -0.000 8.769 -0.000) 8.769 8.013 ( -0.000 8.005 -0.000) 8.005 8.836 ( 0.000 -4.473 0.000) 4.473 8.845 ( 0.000 -4.341 0.000) 4.341 9.229 ( -0.000 2.937 -0.000) 2.937 9.245 ( -0.000 2.076 -0.000) 2.076 9.487 ( -0.000 10.709 -0.000) 10.709 9.488 ( -0.000 11.115 -0.000) 11.115 9.658 ( -0.000 1.823 -0.000) 1.823 9.661 ( -0.000 0.999 -0.000) 0.999 9.793 ( -0.000 4.312 -0.000) 4.312 9.800 ( -0.000 4.156 -0.000) 4.156 10.081 ( 0.000 -0.130 0.000) 0.130 10.125 ( 0.000 -2.232 0.000) 2.232 10.145 ( 0.000 -9.512 0.000) 9.512 10.148 ( 0.000 -9.895 0.000) 9.895 10.771 ( -0.000 0.036 -0.000) 0.036 10.782 ( 0.000 -0.455 0.000) 0.455 11.426 ( -0.000 1.680 -0.000) 1.680 11.433 ( -0.000 1.170 -0.000) 1.170 11.593 ( -0.000 1.626 -0.000) 1.626 11.602 ( -0.000 1.409 -0.000) 1.409 ======================= Grid point 426 (150/171) ======================= q-point: ( 0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( -3.213 12.686 0.109) 13.087 1.870 ( -3.405 5.187 0.469) 6.222 1.945 ( -1.435 16.254 -0.857) 16.340 1.969 ( -2.162 16.195 0.438) 16.344 2.579 ( -0.798 -1.461 -0.961) 1.922 2.594 ( -1.181 -1.775 1.727) 2.744 2.774 ( 2.115 -4.656 0.175) 5.117 2.803 ( 3.011 -8.005 -0.035) 8.552 2.871 ( -1.708 5.769 0.357) 6.027 2.917 ( 0.431 -0.742 -0.370) 0.935 2.947 ( -0.075 -3.083 -0.008) 3.084 2.968 ( 1.070 -10.767 -2.182) 11.038 2.995 ( -0.645 -6.673 0.534) 6.725 3.010 ( 1.425 -12.929 1.157) 13.059 3.496 ( 2.985 3.168 -1.432) 4.582 3.515 ( 4.291 1.722 2.437) 5.227 3.602 ( 0.661 3.412 -0.598) 3.527 3.621 ( -2.580 7.101 1.054) 7.629 3.744 ( 8.718 12.924 0.267) 15.592 3.934 ( 3.862 7.023 -0.482) 8.029 4.190 ( 5.458 -11.614 0.051) 12.833 4.238 ( 5.955 -11.262 0.091) 12.740 4.301 ( -1.984 4.581 -0.037) 4.992 4.316 ( -4.369 7.182 0.125) 8.407 4.387 ( 0.696 -1.251 -0.367) 1.478 4.398 ( -0.099 1.770 0.082) 1.775 4.613 ( -13.762 -11.410 0.057) 17.877 4.645 ( -12.649 -12.334 -0.134) 17.668 5.721 ( 6.292 -1.532 -0.236) 6.480 5.735 ( 6.031 -2.732 0.253) 6.626 7.410 ( -1.080 0.091 0.004) 1.084 7.411 ( -1.141 -0.052 -0.003) 1.142 8.092 ( -3.792 5.814 0.063) 6.941 8.107 ( -3.659 4.496 -0.035) 5.796 8.758 ( 4.483 -2.932 0.025) 5.357 8.766 ( 4.387 -3.505 -0.024) 5.615 9.272 ( -2.194 1.740 -0.004) 2.800 9.280 ( -2.146 1.002 0.015) 2.369 9.593 ( -0.879 8.185 0.016) 8.233 9.597 ( -0.679 8.683 -0.005) 8.710 9.680 ( -1.582 -0.553 -0.166) 1.684 9.684 ( -1.494 -0.001 0.132) 1.500 9.837 ( -1.080 2.358 0.017) 2.594 9.843 ( -1.195 1.911 0.068) 2.255 10.046 ( 1.611 -6.515 -0.139) 6.712 10.048 ( 1.416 -6.713 0.185) 6.863 10.079 ( 0.302 0.329 0.054) 0.450 10.102 ( 0.238 -1.969 -0.096) 1.986 10.767 ( 0.602 0.119 -0.041) 0.615 10.771 ( 0.665 -0.286 0.036) 0.725 11.447 ( -0.809 0.878 0.294) 1.230 11.451 ( -0.868 0.504 0.266) 1.039 11.608 ( -0.199 0.978 -0.360) 1.061 11.614 ( -0.330 0.495 -0.083) 0.601 ======================= Grid point 427 (151/171) ======================= q-point: ( 0.60 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( -5.474 0.000 -3.136) 6.309 1.981 ( -5.954 -0.000 3.425) 6.869 2.097 ( -5.918 0.000 -2.848) 6.567 2.142 ( -6.998 -0.000 2.730) 7.512 2.575 ( -0.269 0.000 -1.406) 1.431 2.600 ( 1.632 -0.000 1.828) 2.451 2.673 ( 5.327 0.000 -0.743) 5.379 2.695 ( 3.139 -0.000 1.961) 3.701 2.838 ( 2.932 0.000 -3.802) 4.801 2.888 ( 1.726 -0.000 2.497) 3.036 2.935 ( 0.399 0.000 -1.891) 1.933 2.950 ( -0.417 -0.000 0.122) 0.434 2.954 ( 0.236 -0.000 0.125) 0.267 2.960 ( -0.459 -0.000 0.519) 0.693 3.448 ( 5.084 0.000 -0.140) 5.086 3.461 ( 2.439 -0.000 1.478) 2.852 3.559 ( 4.617 0.000 -0.849) 4.695 3.578 ( 2.904 -0.000 1.661) 3.346 3.854 ( -0.204 0.000 -0.428) 0.474 3.860 ( -0.510 -0.000 0.281) 0.582 4.039 ( 4.759 0.000 -2.023) 5.171 4.068 ( 5.320 -0.000 1.674) 5.577 4.318 ( 1.618 0.000 -1.312) 2.084 4.340 ( 0.929 -0.000 1.575) 1.829 4.469 ( -3.872 -0.000 -0.572) 3.914 4.474 ( -3.574 -0.000 0.091) 3.576 4.835 ( -16.239 -0.000 -0.240) 16.241 4.838 ( -16.465 -0.000 0.122) 16.466 5.542 ( 12.341 0.000 -1.112) 12.391 5.560 ( 12.143 0.000 1.091) 12.192 7.430 ( -0.830 -0.000 -0.013) 0.830 7.431 ( -0.876 -0.000 0.012) 0.876 8.230 ( -7.812 -0.000 -0.059) 7.812 8.231 ( -7.838 -0.000 0.107) 7.838 8.633 ( 7.615 0.000 -0.019) 7.615 8.633 ( 7.615 0.000 -0.019) 7.615 9.331 ( -3.062 -0.000 -0.270) 3.074 9.335 ( -3.114 -0.000 0.289) 3.127 9.663 ( -1.333 -0.000 -0.079) 1.336 9.664 ( -1.318 -0.000 0.119) 1.323 9.697 ( -1.306 0.000 -0.696) 1.480 9.708 ( -1.501 -0.000 0.583) 1.610 9.872 ( -1.320 0.000 -0.354) 1.366 9.878 ( -1.346 -0.000 0.371) 1.396 9.974 ( 2.128 0.000 -0.447) 2.175 9.981 ( 2.081 -0.000 0.488) 2.137 10.077 ( 0.793 0.000 -0.096) 0.799 10.078 ( 0.715 0.000 -0.049) 0.717 10.753 ( 0.852 0.000 -0.293) 0.901 10.757 ( 0.783 -0.000 0.292) 0.836 11.472 ( -1.158 -0.000 0.365) 1.214 11.473 ( -1.171 -0.000 0.509) 1.276 11.612 ( -0.031 0.000 -1.183) 1.183 11.624 ( -0.420 -0.000 0.383) 0.569 ======================= Grid point 437 (152/171) ======================= q-point: ( 0.50 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( -0.000 18.781 1.165) 18.817 1.702 ( -0.000 23.115 0.255) 23.116 1.761 ( -0.000 17.581 -0.074) 17.581 1.792 ( -0.000 11.782 -0.884) 11.815 2.583 ( 0.000 -0.373 0.062) 0.378 2.598 ( 0.000 -0.751 -1.137) 1.363 2.768 ( -0.000 9.413 2.078) 9.640 2.847 ( 0.000 -5.527 -0.243) 5.533 2.913 ( -0.000 0.425 0.056) 0.429 2.933 ( 0.000 -9.570 0.543) 9.586 2.948 ( -0.000 -0.830 0.340) 0.897 3.038 ( 0.000 -5.835 -1.947) 6.152 3.187 ( 0.000 -23.109 0.792) 23.123 3.203 ( 0.000 -19.072 0.075) 19.073 3.330 ( -0.000 29.192 0.696) 29.201 3.490 ( 0.000 10.180 -3.779) 10.858 3.575 ( -0.000 -0.439 4.370) 4.392 3.597 ( -0.000 -3.513 2.058) 4.071 3.789 ( 0.000 1.140 -0.402) 1.208 3.872 ( -0.000 6.333 -1.187) 6.444 4.165 ( -0.000 7.268 0.034) 7.268 4.166 ( -0.000 7.704 0.045) 7.704 4.382 ( 0.000 -4.073 0.052) 4.073 4.393 ( 0.000 -0.888 -0.122) 0.896 4.528 ( 0.000 -10.522 0.008) 10.522 4.537 ( 0.000 -10.342 -0.073) 10.342 4.544 ( 0.000 -19.327 0.473) 19.333 4.623 ( 0.000 -15.424 -0.560) 15.434 5.798 ( 0.000 -2.917 0.175) 2.922 5.820 ( 0.000 -3.987 -0.121) 3.989 7.399 ( -0.000 -0.018 0.012) 0.022 7.401 ( 0.000 -0.114 -0.011) 0.115 7.985 ( -0.000 8.753 0.197) 8.755 8.012 ( -0.000 8.027 -0.157) 8.028 8.836 ( 0.000 -4.475 0.076) 4.475 8.845 ( 0.000 -4.349 -0.030) 4.349 9.229 ( -0.000 2.918 0.114) 2.921 9.245 ( -0.000 2.100 -0.098) 2.102 9.487 ( -0.000 10.723 0.015) 10.723 9.488 ( -0.000 11.110 0.004) 11.110 9.658 ( -0.000 1.805 -0.027) 1.806 9.661 ( -0.000 1.022 -0.068) 1.024 9.794 ( -0.000 4.297 0.203) 4.302 9.801 ( -0.000 4.146 0.108) 4.148 10.082 ( -0.000 -0.131 0.163) 0.209 10.123 ( 0.000 -2.168 -0.461) 2.217 10.145 ( 0.000 -9.517 0.046) 9.517 10.148 ( 0.000 -9.839 0.062) 9.839 10.772 ( -0.000 0.025 0.056) 0.061 10.781 ( 0.000 -0.442 -0.074) 0.448 11.429 ( -0.000 1.681 0.610) 1.788 11.435 ( -0.000 1.196 0.495) 1.295 11.591 ( 0.000 1.614 -0.378) 1.657 11.600 ( 0.000 1.412 -0.480) 1.491 ======================= Grid point 438 (153/171) ======================= q-point: ( 0.60 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( -2.605 11.753 0.347) 12.043 1.877 ( -3.772 5.763 1.222) 6.995 1.935 ( -0.945 16.358 -1.596) 16.463 1.973 ( -2.785 16.458 0.445) 16.698 2.573 ( -0.057 -1.153 -0.382) 1.216 2.610 ( -1.747 -1.100 2.443) 3.199 2.776 ( 2.154 -4.320 0.468) 4.850 2.803 ( 2.877 -6.938 0.049) 7.511 2.875 ( -1.433 3.710 0.648) 4.029 2.912 ( 0.272 -1.703 -0.716) 1.867 2.942 ( 2.254 -8.345 -2.398) 8.971 2.951 ( -1.277 -4.429 -0.797) 4.678 2.995 ( 0.349 -7.822 -0.410) 7.841 3.024 ( 0.806 -11.863 2.134) 12.080 3.488 ( 2.899 4.816 -0.668) 5.661 3.538 ( 4.340 0.402 3.267) 5.447 3.596 ( -0.410 6.240 -0.572) 6.280 3.632 ( -0.713 3.449 1.709) 3.915 3.749 ( 8.193 13.560 0.951) 15.871 3.926 ( 3.855 7.349 -1.436) 8.422 4.191 ( 5.861 -12.218 0.147) 13.551 4.240 ( 5.525 -10.700 0.236) 12.045 4.301 ( -2.216 4.979 -0.094) 5.451 4.318 ( -4.169 6.883 0.371) 8.056 4.382 ( 0.739 -0.407 -0.871) 1.213 4.399 ( 0.006 0.780 0.067) 0.783 4.614 ( -13.769 -11.479 0.174) 17.927 4.643 ( -12.705 -12.300 -0.378) 17.688 5.718 ( 6.539 -1.770 -0.431) 6.788 5.738 ( 5.801 -2.496 0.476) 6.333 7.410 ( -1.083 0.081 0.010) 1.086 7.411 ( -1.137 -0.042 -0.008) 1.138 8.092 ( -3.780 5.757 0.177) 6.889 8.107 ( -3.666 4.568 -0.105) 5.858 8.758 ( 4.485 -2.966 0.074) 5.378 8.765 ( 4.398 -3.487 -0.071) 5.613 9.272 ( -2.142 1.656 -0.009) 2.708 9.280 ( -2.195 1.091 0.039) 2.452 9.593 ( -0.863 8.210 0.045) 8.256 9.597 ( -0.692 8.648 -0.017) 8.675 9.678 ( -1.379 -0.366 -0.263) 1.451 9.685 ( -1.699 -0.167 0.173) 1.716 9.838 ( -1.006 2.227 0.048) 2.444 9.844 ( -1.205 2.001 0.172) 2.342 10.044 ( 1.670 -6.670 -0.131) 6.878 10.050 ( 1.354 -6.538 0.253) 6.681 10.080 ( 0.322 0.279 0.161) 0.455 10.101 ( 0.261 -1.814 -0.272) 1.853 10.766 ( 0.675 0.043 -0.089) 0.682 10.772 ( 0.589 -0.208 0.077) 0.629 11.452 ( -0.772 0.864 0.782) 1.398 11.455 ( -0.839 0.542 0.748) 1.248 11.603 ( -0.047 0.845 -0.892) 1.230 11.613 ( -0.498 0.617 -0.333) 0.860 ======================= Grid point 439 (154/171) ======================= q-point: ( 0.70 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.906 ( -5.085 0.000 -2.585) 5.705 2.007 ( -5.964 -0.000 3.046) 6.697 2.076 ( -5.575 0.000 -2.423) 6.079 2.161 ( -7.664 -0.000 2.251) 7.988 2.565 ( -0.166 0.000 -1.145) 1.157 2.615 ( 3.044 -0.000 2.078) 3.685 2.669 ( 6.055 0.000 -0.144) 6.057 2.711 ( 2.295 -0.000 2.103) 3.113 2.807 ( 2.859 0.000 -3.927) 4.858 2.904 ( 0.177 -0.000 1.423) 1.434 2.919 ( 0.464 0.000 -2.227) 2.274 2.949 ( -0.578 0.000 -0.247) 0.629 2.957 ( 1.673 -0.000 0.651) 1.795 2.963 ( -0.488 -0.000 0.203) 0.529 3.449 ( 6.520 0.000 0.301) 6.527 3.474 ( 1.637 -0.000 1.769) 2.411 3.554 ( 5.331 0.000 -0.540) 5.358 3.593 ( 2.134 -0.000 1.938) 2.883 3.851 ( 0.257 0.000 -0.439) 0.509 3.862 ( -0.429 -0.000 0.187) 0.468 4.023 ( 4.359 0.000 -1.920) 4.763 4.080 ( 5.514 -0.000 1.326) 5.671 4.308 ( 2.002 0.000 -1.071) 2.271 4.353 ( 0.771 -0.000 1.557) 1.738 4.463 ( -4.155 0.000 -0.783) 4.228 4.474 ( -3.519 -0.000 -0.058) 3.519 4.833 ( -16.147 -0.000 -0.246) 16.149 4.839 ( -16.576 -0.000 0.057) 16.576 5.534 ( 12.453 0.000 -0.956) 12.489 5.568 ( 12.072 0.000 0.920) 12.107 7.430 ( -0.808 -0.000 -0.011) 0.808 7.431 ( -0.897 -0.000 0.009) 0.897 8.230 ( -7.793 -0.000 -0.031) 7.794 8.232 ( -7.843 -0.000 0.109) 7.844 8.633 ( 7.621 0.000 -0.031) 7.621 8.633 ( 7.622 0.000 -0.031) 7.622 9.329 ( -3.037 -0.000 -0.222) 3.045 9.338 ( -3.135 -0.000 0.252) 3.145 9.662 ( -1.329 -0.000 -0.052) 1.330 9.665 ( -1.299 -0.000 0.120) 1.305 9.692 ( -1.211 0.000 -0.639) 1.369 9.712 ( -1.584 -0.000 0.453) 1.648 9.869 ( -1.283 0.000 -0.300) 1.317 9.880 ( -1.346 -0.000 0.325) 1.385 9.970 ( 2.189 0.000 -0.369) 2.220 9.985 ( 2.088 -0.000 0.439) 2.133 10.077 ( 0.875 0.000 -0.132) 0.885 10.077 ( 0.733 0.000 -0.103) 0.740 10.751 ( 0.882 0.000 -0.250) 0.917 10.759 ( 0.751 -0.000 0.248) 0.790 11.476 ( -1.054 -0.000 0.596) 1.211 11.478 ( -1.105 -0.000 0.937) 1.449 11.602 ( 0.126 0.000 -1.478) 1.484 11.626 ( -0.638 -0.000 0.066) 0.642 ======================= Grid point 449 (155/171) ======================= q-point: ( 0.60 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( 0.000 19.061 2.191) 19.186 1.705 ( 0.000 23.676 0.269) 23.678 1.760 ( 0.000 17.227 -0.169) 17.228 1.782 ( 0.000 11.348 -1.565) 11.456 2.583 ( 0.000 0.855 0.025) 0.855 2.588 ( 0.000 1.816 -1.232) 2.195 2.788 ( 0.000 6.551 2.807) 7.127 2.845 ( 0.000 -4.368 -0.385) 4.385 2.914 ( 0.000 -0.533 0.290) 0.607 2.939 ( 0.000 -8.721 0.942) 8.772 2.952 ( 0.000 -1.756 0.460) 1.815 3.018 ( 0.000 -6.328 -2.955) 6.984 3.195 ( 0.000 -22.672 0.935) 22.691 3.203 ( 0.000 -19.161 0.136) 19.162 3.338 ( -0.000 28.102 1.331) 28.133 3.460 ( 0.000 10.950 -3.749) 11.573 3.611 ( -0.000 0.031 4.698) 4.698 3.619 ( 0.000 -2.819 3.628) 4.595 3.784 ( 0.000 1.566 -0.758) 1.739 3.858 ( -0.000 6.274 -2.313) 6.687 4.166 ( 0.000 7.264 0.060) 7.265 4.166 ( -0.000 7.628 0.071) 7.628 4.383 ( 0.000 -3.802 0.097) 3.803 4.392 ( 0.000 -1.067 -0.213) 1.088 4.528 ( 0.000 -10.818 0.063) 10.818 4.537 ( 0.000 -10.398 -0.137) 10.399 4.549 ( 0.000 -18.784 0.891) 18.805 4.617 ( 0.000 -15.678 -1.066) 15.714 5.800 ( 0.000 -2.997 0.326) 3.014 5.819 ( 0.000 -3.907 -0.238) 3.914 7.399 ( -0.000 -0.024 0.022) 0.033 7.401 ( -0.000 -0.105 -0.021) 0.108 7.987 ( 0.000 8.706 0.370) 8.714 8.011 ( 0.000 8.089 -0.305) 8.095 8.837 ( -0.000 -4.477 0.140) 4.480 8.844 ( -0.000 -4.370 -0.066) 4.371 9.230 ( 0.000 2.862 0.213) 2.870 9.244 ( 0.000 2.167 -0.188) 2.176 9.487 ( -0.000 10.762 0.025) 10.762 9.488 ( -0.000 11.094 0.007) 11.094 9.658 ( -0.000 1.752 -0.040) 1.753 9.660 ( -0.000 1.088 -0.111) 1.093 9.796 ( -0.000 4.257 0.338) 4.270 9.802 ( -0.000 4.123 0.159) 4.126 10.084 ( -0.000 -0.147 0.332) 0.364 10.118 ( -0.000 -1.919 -0.772) 2.068 10.146 ( -0.000 -9.533 0.081) 9.534 10.148 ( -0.000 -9.757 0.055) 9.757 10.772 ( -0.000 -0.007 0.109) 0.109 10.781 ( -0.000 -0.403 -0.138) 0.426 11.435 ( -0.000 1.684 1.048) 1.984 11.441 ( -0.000 1.270 0.847) 1.527 11.587 ( -0.000 1.578 -0.648) 1.706 11.595 ( -0.000 1.417 -0.847) 1.651 ======================= Grid point 450 (156/171) ======================= q-point: ( 0.70 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( -1.660 10.254 0.563) 10.403 1.888 ( -4.229 6.734 1.426) 8.079 1.922 ( -0.642 16.527 -1.503) 16.608 1.975 ( -3.411 16.841 0.035) 17.183 2.573 ( 0.652 -0.411 0.165) 0.788 2.630 ( -2.192 -0.173 2.517) 3.342 2.781 ( 2.229 -3.630 0.569) 4.298 2.805 ( 2.851 -6.094 0.385) 6.739 2.878 ( -1.191 1.225 -0.200) 1.720 2.908 ( 0.694 -4.646 -0.340) 4.710 2.919 ( 1.485 -8.238 -2.656) 8.783 2.948 ( -0.914 -2.469 -0.409) 2.664 2.991 ( 0.953 -7.505 -0.476) 7.580 3.040 ( 0.506 -11.464 1.737) 11.606 3.485 ( 2.646 6.399 -0.054) 6.925 3.564 ( 4.173 -0.545 3.153) 5.259 3.593 ( -0.272 7.722 -0.189) 7.729 3.645 ( 1.052 0.718 1.447) 1.927 3.760 ( 7.108 14.344 1.960) 16.128 3.911 ( 3.844 7.939 -2.317) 9.120 4.192 ( 6.521 -13.188 0.209) 14.714 4.242 ( 4.804 -9.760 0.289) 10.882 4.300 ( -2.462 5.437 -0.112) 5.969 4.322 ( -4.045 6.647 0.599) 7.804 4.374 ( 0.974 0.070 -1.134) 1.496 4.399 ( 0.099 -0.031 -0.030) 0.108 4.615 ( -13.785 -11.611 0.294) 18.026 4.639 ( -12.796 -12.224 -0.551) 17.705 5.715 ( 6.792 -1.940 -0.388) 7.074 5.742 ( 5.575 -2.328 0.444) 6.058 7.410 ( -1.090 0.064 0.015) 1.092 7.411 ( -1.128 -0.024 -0.012) 1.129 8.094 ( -3.756 5.646 0.262) 6.786 8.106 ( -3.681 4.702 -0.173) 5.974 8.759 ( 4.488 -3.027 0.116) 5.415 8.765 ( 4.417 -3.451 -0.112) 5.607 9.272 ( -2.067 1.535 -0.010) 2.574 9.281 ( -2.268 1.222 0.048) 2.576 9.594 ( -0.831 8.262 0.066) 8.304 9.597 ( -0.717 8.576 -0.032) 8.606 9.676 ( -1.222 -0.247 -0.234) 1.269 9.687 ( -1.859 -0.251 0.125) 1.880 9.838 ( -0.899 2.065 0.064) 2.253 9.846 ( -1.208 2.096 0.205) 2.428 10.044 ( 1.738 -6.744 -0.085) 6.965 10.052 ( 1.280 -6.428 0.238) 6.559 10.082 ( 0.352 0.158 0.264) 0.467 10.098 ( 0.300 -1.529 -0.401) 1.609 10.765 ( 0.754 -0.032 -0.091) 0.760 10.772 ( 0.504 -0.130 0.076) 0.526 11.459 ( -0.686 0.830 0.964) 1.445 11.462 ( -0.818 0.621 1.093) 1.500 11.595 ( 0.117 0.745 -1.157) 1.380 11.609 ( -0.689 0.696 -0.523) 1.110 ======================= Grid point 451 (157/171) ======================= q-point: ( 0.80 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( -4.708 0.000 -1.841) 5.056 2.028 ( -5.851 -0.000 2.294) 6.285 2.059 ( -5.359 0.000 -1.742) 5.635 2.176 ( -8.297 -0.000 1.595) 8.449 2.557 ( 0.459 0.000 -0.801) 0.923 2.632 ( 4.411 -0.000 2.203) 4.931 2.670 ( 6.455 0.000 0.185) 6.458 2.726 ( 1.852 -0.000 1.782) 2.570 2.778 ( 2.467 0.000 -3.617) 4.379 2.902 ( 0.566 0.000 -1.948) 2.028 2.911 ( -1.499 -0.000 0.567) 1.603 2.946 ( -0.653 0.000 -0.495) 0.820 2.963 ( 3.058 -0.000 0.843) 3.172 2.964 ( -0.429 -0.000 0.100) 0.440 3.452 ( 7.656 0.000 0.399) 7.666 3.487 ( 1.192 -0.000 1.563) 1.965 3.550 ( 5.871 0.000 -0.312) 5.880 3.608 ( 1.579 -0.000 1.818) 2.408 3.848 ( 0.875 0.000 -0.378) 0.953 3.863 ( -0.285 -0.000 0.105) 0.304 4.010 ( 3.896 0.000 -1.550) 4.193 4.089 ( 5.661 0.000 0.914) 5.735 4.301 ( 2.325 0.000 -0.764) 2.447 4.364 ( 0.827 -0.000 1.355) 1.587 4.457 ( -4.555 -0.000 -0.838) 4.632 4.473 ( -3.502 -0.000 -0.113) 3.503 4.831 ( -16.079 -0.000 -0.201) 16.080 4.839 ( -16.667 -0.000 0.014) 16.667 5.528 ( 12.552 0.000 -0.700) 12.572 5.574 ( 12.022 0.000 0.664) 12.040 7.430 ( -0.790 -0.000 -0.008) 0.790 7.431 ( -0.912 -0.000 0.006) 0.912 8.229 ( -7.776 -0.000 -0.012) 7.776 8.233 ( -7.844 -0.000 0.090) 7.845 8.633 ( 7.627 0.000 -0.031) 7.627 8.633 ( 7.629 0.000 -0.031) 7.629 9.328 ( -3.016 -0.000 -0.156) 3.020 9.339 ( -3.149 -0.000 0.187) 3.155 9.662 ( -1.320 -0.000 -0.027) 1.320 9.666 ( -1.280 -0.000 0.099) 1.284 9.688 ( -1.132 0.000 -0.493) 1.235 9.715 ( -1.649 -0.000 0.305) 1.677 9.867 ( -1.237 -0.000 -0.220) 1.256 9.883 ( -1.349 -0.000 0.240) 1.370 9.968 ( 2.260 0.000 -0.263) 2.276 9.988 ( 2.101 0.000 0.337) 2.128 10.076 ( 0.958 0.000 -0.125) 0.966 10.076 ( 0.774 0.000 -0.112) 0.782 10.749 ( 0.906 0.000 -0.182) 0.924 10.761 ( 0.724 -0.000 0.180) 0.746 11.481 ( -0.912 -0.000 0.602) 1.093 11.487 ( -1.042 -0.000 1.147) 1.549 11.590 ( 0.262 0.000 -1.520) 1.543 11.626 ( -0.847 -0.000 -0.107) 0.853 ======================= Grid point 461 (158/171) ======================= q-point: ( 0.70 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( -0.000 19.588 2.937) 19.807 1.705 ( -0.000 24.406 -0.297) 24.407 1.759 ( -0.000 16.567 -0.266) 16.569 1.769 ( -0.000 10.814 -1.674) 10.943 2.580 ( 0.000 3.953 -0.667) 4.009 2.583 ( 0.000 2.530 -0.134) 2.533 2.809 ( 0.000 3.853 2.392) 4.535 2.842 ( -0.000 -2.890 -0.435) 2.923 2.918 ( -0.000 -2.013 0.815) 2.172 2.947 ( 0.000 -7.537 1.088) 7.616 2.955 ( 0.000 -3.036 0.206) 3.043 2.994 ( 0.000 -6.383 -3.033) 7.068 3.201 ( -0.000 -22.108 0.663) 22.118 3.205 ( -0.000 -19.398 0.159) 19.399 3.350 ( -0.000 26.078 1.859) 26.144 3.432 ( 0.000 13.260 -3.387) 13.685 3.646 ( -0.000 -0.351 4.254) 4.268 3.651 ( 0.000 -2.127 4.226) 4.731 3.778 ( -0.000 2.436 -0.875) 2.588 3.836 ( -0.000 6.144 -3.251) 6.952 4.166 ( 0.000 7.268 0.072) 7.268 4.167 ( -0.000 7.526 0.063) 7.526 4.383 ( 0.000 -3.383 0.134) 3.385 4.390 ( 0.000 -1.372 -0.253) 1.395 4.529 ( 0.000 -10.912 0.135) 10.913 4.535 ( 0.000 -10.487 -0.187) 10.489 4.557 ( 0.000 -18.272 1.260) 18.316 4.607 ( 0.000 -16.085 -1.461) 16.152 5.803 ( -0.000 -3.121 0.432) 3.151 5.817 ( -0.000 -3.782 -0.344) 3.797 7.399 ( 0.000 -0.034 0.030) 0.045 7.400 ( 0.000 -0.093 -0.029) 0.097 7.991 ( -0.000 8.632 0.498) 8.646 8.008 ( -0.000 8.183 -0.433) 8.195 8.838 ( -0.000 -4.478 0.182) 4.481 8.844 ( -0.000 -4.400 -0.109) 4.401 9.232 ( -0.000 2.774 0.285) 2.789 9.242 ( -0.000 2.270 -0.261) 2.285 9.488 ( 0.000 10.821 0.026) 10.821 9.488 ( -0.000 11.065 0.006) 11.065 9.658 ( -0.000 1.668 -0.030) 1.668 9.659 ( -0.000 1.186 -0.118) 1.192 9.799 ( 0.000 4.203 0.366) 4.219 9.803 ( 0.000 4.101 0.124) 4.103 10.087 ( 0.000 -0.215 0.508) 0.552 10.111 ( 0.000 -1.506 -0.912) 1.760 10.147 ( -0.000 -9.561 0.098) 9.561 10.149 ( -0.000 -9.710 0.009) 9.710 10.773 ( -0.000 -0.057 0.154) 0.164 10.779 ( -0.000 -0.345 -0.184) 0.391 11.444 ( 0.000 1.686 1.151) 2.041 11.448 ( 0.000 1.381 0.912) 1.655 11.582 ( 0.000 1.525 -0.687) 1.672 11.587 ( 0.000 1.420 -0.976) 1.723 ======================= Grid point 462 (159/171) ======================= q-point: ( 0.80 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( -0.704 8.621 0.587) 8.669 1.896 ( -3.760 10.170 0.355) 10.849 1.915 ( -1.421 14.218 -0.229) 14.291 1.973 ( -3.907 17.380 -0.290) 17.816 2.575 ( 1.253 0.397 0.353) 1.361 2.648 ( -2.572 0.843 1.960) 3.342 2.784 ( 2.356 -2.754 0.398) 3.647 2.810 ( 3.062 -6.231 0.778) 6.986 2.872 ( -1.156 0.333 -1.232) 1.722 2.896 ( 2.561 -12.357 -2.070) 12.789 2.915 ( -0.508 -2.599 0.803) 2.767 2.943 ( -0.774 -2.680 -0.770) 2.894 2.988 ( 1.377 -6.515 -0.261) 6.664 3.051 ( 0.332 -11.307 1.091) 11.364 3.486 ( 2.448 7.663 0.174) 8.047 3.583 ( 0.625 2.057 1.417) 2.575 3.595 ( 3.539 5.159 0.937) 6.326 3.653 ( 2.685 -0.652 0.710) 2.853 3.779 ( 5.831 14.468 2.838) 15.855 3.891 ( 3.838 8.651 -2.854) 9.885 4.194 ( 7.202 -14.163 0.192) 15.890 4.244 ( 4.036 -8.756 0.232) 9.645 4.299 ( -2.585 5.720 -0.087) 6.278 4.328 ( -4.335 6.870 0.742) 8.157 4.364 ( 1.552 -0.067 -1.151) 1.934 4.399 ( 0.170 -0.566 -0.071) 0.596 4.618 ( -13.827 -11.799 0.388) 18.181 4.635 ( -12.866 -12.094 -0.599) 17.669 5.712 ( 6.981 -2.038 -0.256) 7.277 5.745 ( 5.414 -2.233 0.302) 5.865 7.410 ( -1.099 0.040 0.014) 1.100 7.411 ( -1.117 -0.000 -0.012) 1.117 8.096 ( -3.720 5.489 0.300) 6.638 8.104 ( -3.710 4.882 -0.227) 6.136 8.760 ( 4.490 -3.106 0.146) 5.461 8.764 ( 4.438 -3.399 -0.144) 5.592 9.272 ( -1.998 1.427 -0.007) 2.455 9.281 ( -2.332 1.339 0.038) 2.690 9.594 ( -0.783 8.351 0.074) 8.388 9.596 ( -0.758 8.465 -0.047) 8.499 9.675 ( -1.115 -0.165 -0.156) 1.138 9.687 ( -1.969 -0.296 0.069) 1.992 9.839 ( -0.802 1.942 0.055) 2.102 9.847 ( -1.201 2.153 0.161) 2.471 10.043 ( 1.790 -6.780 -0.045) 7.013 10.053 ( 1.221 -6.348 0.171) 6.467 10.084 ( 0.378 -0.059 0.358) 0.524 10.095 ( 0.342 -1.158 -0.469) 1.296 10.765 ( 0.812 -0.082 -0.064) 0.818 10.773 ( 0.441 -0.077 0.052) 0.451 11.466 ( -0.569 0.814 0.788) 1.268 11.471 ( -0.832 0.691 1.063) 1.516 11.586 ( 0.266 0.675 -1.052) 1.278 11.605 ( -0.859 0.735 -0.494) 1.234 ======================= Grid point 463 (160/171) ======================= q-point: ( 0.90 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( -4.435 0.000 -0.958) 4.538 2.041 ( -5.711 -0.000 1.234) 5.842 2.049 ( -5.246 -0.000 -0.904) 5.323 2.186 ( -8.764 -0.000 0.827) 8.803 2.552 ( 1.121 0.000 -0.408) 1.193 2.648 ( 5.717 -0.000 1.754) 5.980 2.671 ( 6.653 0.000 0.201) 6.656 2.737 ( 1.694 -0.000 1.032) 1.983 2.753 ( 1.743 0.000 -2.519) 3.063 2.890 ( 0.412 0.000 -1.146) 1.217 2.914 ( -2.293 -0.000 0.169) 2.299 2.942 ( -0.702 0.000 -0.394) 0.805 2.964 ( -0.342 -0.000 0.055) 0.346 2.969 ( 3.785 0.000 0.548) 3.824 3.455 ( 8.346 0.000 0.254) 8.350 3.497 ( 0.990 -0.000 0.910) 1.345 3.549 ( 6.210 0.000 -0.141) 6.212 3.619 ( 1.259 -0.000 1.129) 1.691 3.845 ( 1.457 0.000 -0.226) 1.475 3.864 ( -0.155 -0.000 0.044) 0.161 4.000 ( 3.485 0.000 -0.882) 3.595 4.094 ( 5.755 0.000 0.465) 5.774 4.296 ( 2.539 0.000 -0.399) 2.570 4.373 ( 1.066 -0.000 0.847) 1.361 4.451 ( -5.014 -0.000 -0.591) 5.048 4.472 ( -3.504 -0.000 -0.082) 3.505 4.830 ( -16.038 -0.000 -0.113) 16.039 4.839 ( -16.727 -0.000 -0.002) 16.727 5.523 ( 12.622 0.000 -0.370) 12.627 5.578 ( 11.993 0.000 0.348) 11.998 7.430 ( -0.779 -0.000 -0.004) 0.779 7.431 ( -0.922 -0.000 0.003) 0.922 8.229 ( -7.764 -0.000 -0.002) 7.764 8.234 ( -7.844 -0.000 0.051) 7.844 8.633 ( 7.631 0.000 -0.019) 7.631 8.633 ( 7.637 0.000 -0.019) 7.637 9.327 ( -3.002 -0.000 -0.080) 3.003 9.340 ( -3.158 -0.000 0.099) 3.160 9.662 ( -1.311 -0.000 -0.010) 1.311 9.667 ( -1.266 -0.000 0.057) 1.267 9.685 ( -1.080 0.000 -0.270) 1.113 9.717 ( -1.691 -0.000 0.152) 1.698 9.866 ( -1.198 -0.000 -0.117) 1.204 9.884 ( -1.354 -0.000 0.127) 1.360 9.966 ( 2.318 0.000 -0.136) 2.322 9.990 ( 2.111 0.000 0.185) 2.120 10.075 ( 1.020 0.000 -0.076) 1.022 10.076 ( 0.814 0.000 -0.072) 0.817 10.748 ( 0.920 0.000 -0.096) 0.925 10.762 ( 0.707 0.000 0.095) 0.713 11.485 ( -0.785 -0.000 0.378) 0.871 11.495 ( -1.019 -0.000 0.884) 1.349 11.579 ( 0.379 0.000 -1.073) 1.138 11.625 ( -1.005 -0.000 -0.113) 1.011 ======================= Grid point 465 (161/171) ======================= q-point: ( 1.00 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( -4.336 -0.000 0.000) 4.336 2.046 ( -5.211 -0.000 0.000) 5.211 2.046 ( -5.648 -0.000 0.000) 5.648 2.189 ( -8.938 -0.000 0.000) 8.938 2.551 ( 1.396 0.000 -0.000) 1.396 2.655 ( 6.473 0.000 -0.000) 6.473 2.672 ( 6.716 0.000 -0.000) 6.716 2.742 ( 1.274 0.000 -0.000) 1.274 2.742 ( 1.570 0.000 -0.000) 1.570 2.885 ( 0.349 0.000 -0.000) 0.349 2.915 ( -2.531 -0.000 0.000) 2.531 2.941 ( -0.720 -0.000 0.000) 0.720 2.965 ( -0.305 -0.000 0.000) 0.305 2.971 ( 3.986 0.000 -0.000) 3.986 3.456 ( 8.574 0.000 -0.000) 8.574 3.501 ( 0.934 0.000 -0.000) 0.934 3.548 ( 6.326 0.000 -0.000) 6.326 3.624 ( 1.154 0.000 -0.000) 1.154 3.844 ( 1.706 0.000 -0.000) 1.706 3.864 ( -0.103 -0.000 0.000) 0.103 3.996 ( 3.314 0.000 -0.000) 3.314 4.096 ( 5.788 0.000 -0.000) 5.788 4.295 ( 2.614 0.000 -0.000) 2.614 4.376 ( 1.227 0.000 -0.000) 1.227 4.449 ( -5.250 -0.000 0.000) 5.250 4.472 ( -3.507 -0.000 0.000) 3.507 4.830 ( -16.025 -0.000 0.000) 16.025 4.839 ( -16.749 -0.000 0.000) 16.749 5.522 ( 12.647 0.000 -0.000) 12.647 5.579 ( 11.983 0.000 -0.000) 11.983 7.430 ( -0.775 -0.000 0.000) 0.775 7.431 ( -0.926 -0.000 0.000) 0.926 8.229 ( -7.759 -0.000 0.000) 7.759 8.234 ( -7.843 -0.000 0.000) 7.843 8.633 ( 7.601 0.000 -0.000) 7.601 8.633 ( 7.671 0.000 -0.000) 7.671 9.326 ( -2.998 -0.000 0.000) 2.998 9.341 ( -3.161 -0.000 0.000) 3.161 9.662 ( -1.308 -0.000 0.000) 1.308 9.667 ( -1.260 -0.000 0.000) 1.260 9.684 ( -1.061 -0.000 0.000) 1.061 9.717 ( -1.706 -0.000 0.000) 1.706 9.866 ( -1.183 -0.000 0.000) 1.183 9.885 ( -1.356 -0.000 0.000) 1.356 9.966 ( 2.341 0.000 -0.000) 2.341 9.991 ( 2.115 0.000 -0.000) 2.115 10.074 ( 1.042 0.000 -0.000) 1.042 10.075 ( 0.830 0.000 -0.000) 0.830 10.747 ( 0.925 0.000 -0.000) 0.925 10.763 ( 0.701 0.000 -0.000) 0.701 11.486 ( -0.733 -0.000 0.000) 0.733 11.499 ( -1.026 -0.000 0.000) 1.026 11.575 ( 0.436 0.000 -0.000) 0.436 11.624 ( -1.065 -0.000 0.000) 1.065 ======================= Grid point 476 (162/171) ======================= q-point: ( 0.80 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( -0.000 20.513 3.249) 20.769 1.698 ( 0.000 24.009 -1.680) 24.067 1.756 ( 0.000 15.448 -0.275) 15.450 1.758 ( 0.000 11.452 -0.875) 11.485 2.577 ( -0.000 5.099 -0.049) 5.100 2.581 ( 0.000 4.135 -0.304) 4.147 2.824 ( -0.000 1.768 1.527) 2.336 2.838 ( -0.000 -1.369 -0.519) 1.464 2.927 ( -0.000 -3.807 1.528) 4.103 2.953 ( 0.000 -4.744 -0.819) 4.814 2.956 ( 0.000 -6.239 0.970) 6.314 2.973 ( 0.000 -5.506 -2.092) 5.890 3.205 ( 0.000 -21.363 0.315) 21.366 3.206 ( 0.000 -19.860 0.110) 19.860 3.366 ( 0.000 23.196 2.283) 23.309 3.408 ( 0.000 16.344 -3.006) 16.618 3.675 ( -0.000 -1.080 3.092) 3.275 3.680 ( -0.000 -2.010 2.990) 3.603 3.773 ( 0.000 4.017 0.034) 4.018 3.809 ( 0.000 5.947 -3.652) 6.979 4.167 ( -0.000 7.291 0.059) 7.291 4.167 ( 0.000 7.424 0.026) 7.424 4.385 ( 0.000 -2.865 0.169) 2.870 4.388 ( 0.000 -1.797 -0.244) 1.814 4.530 ( -0.000 -10.855 0.190) 10.857 4.534 ( 0.000 -10.604 -0.215) 10.606 4.568 ( -0.000 -17.753 1.554) 17.821 4.595 ( -0.000 -16.610 -1.688) 16.696 5.806 ( -0.000 -3.278 0.483) 3.313 5.814 ( -0.000 -3.625 -0.429) 3.650 7.400 ( -0.000 -0.046 0.035) 0.058 7.400 ( -0.000 -0.077 -0.034) 0.084 7.995 ( 0.000 8.533 0.567) 8.552 8.004 ( 0.000 8.298 -0.527) 8.315 8.840 ( -0.000 -4.471 0.196) 4.475 8.843 ( -0.000 -4.430 -0.151) 4.433 9.235 ( 0.000 2.660 0.326) 2.680 9.240 ( 0.000 2.396 -0.311) 2.416 9.488 ( -0.000 10.890 0.020) 10.890 9.488 ( -0.000 11.019 0.001) 11.019 9.658 ( -0.000 1.559 0.003) 1.559 9.658 ( -0.000 1.306 -0.093) 1.309 9.801 ( -0.000 4.150 0.289) 4.160 9.804 ( -0.000 4.094 0.010) 4.094 10.092 ( -0.000 -0.376 0.678) 0.776 10.104 ( -0.000 -1.050 -0.915) 1.393 10.147 ( -0.000 -9.597 0.096) 9.598 10.149 ( -0.000 -9.676 -0.040) 9.676 10.775 ( 0.000 -0.122 0.188) 0.225 10.778 ( 0.000 -0.273 -0.207) 0.342 11.452 ( 0.000 1.669 0.811) 1.855 11.454 ( 0.000 1.505 0.576) 1.611 11.577 ( 0.000 1.468 -0.389) 1.518 11.580 ( 0.000 1.419 -0.752) 1.606 ======================= Grid point 477 (163/171) ======================= q-point: ( 0.90 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( -0.067 7.431 0.265) 7.436 1.894 ( -2.329 15.083 -0.291) 15.264 1.917 ( -3.116 9.935 0.396) 10.420 1.971 ( -4.192 17.964 -0.208) 18.448 2.577 ( 1.607 0.920 0.171) 1.859 2.659 ( -2.831 1.574 0.757) 3.327 2.786 ( 2.501 -2.205 0.124) 3.336 2.815 ( 3.473 -7.104 0.556) 7.927 2.862 ( -1.178 0.805 -0.850) 1.661 2.885 ( 2.174 -12.570 -0.733) 12.778 2.922 ( -0.371 -4.717 0.771) 4.794 2.937 ( -0.749 -2.264 -0.692) 2.483 2.987 ( 1.583 -5.745 -0.070) 5.959 3.057 ( 0.244 -11.243 0.370) 11.252 3.487 ( 2.346 8.365 0.096) 8.689 3.587 ( -2.097 7.247 0.098) 7.545 3.604 ( 6.494 -0.230 0.828) 6.551 3.656 ( 3.607 -0.827 0.140) 3.703 3.800 ( 5.046 14.138 1.929) 15.135 3.871 ( 3.839 9.130 -1.863) 10.078 4.195 ( 7.638 -14.775 0.079) 16.633 4.245 ( 3.529 -8.092 0.088) 8.828 4.298 ( -2.609 5.821 -0.033) 6.379 4.333 ( -5.349 7.875 0.470) 9.532 4.357 ( 2.715 -1.039 -0.625) 2.974 4.398 ( 0.209 -0.838 -0.035) 0.865 4.621 ( -13.962 -12.028 0.282) 18.430 4.631 ( -12.804 -11.901 -0.364) 17.485 5.711 ( 7.081 -2.083 -0.089) 7.381 5.747 ( 5.331 -2.190 0.106) 5.764 7.410 ( -1.108 0.020 0.006) 1.108 7.411 ( -1.108 0.021 -0.005) 1.108 8.099 ( -3.659 5.306 0.219) 6.449 8.102 ( -3.766 5.079 -0.192) 6.326 8.761 ( 4.492 -3.169 0.151) 5.499 8.763 ( 4.449 -3.352 -0.150) 5.573 9.272 ( -1.959 1.365 -0.003) 2.388 9.281 ( -2.369 1.406 0.014) 2.755 9.595 ( -0.702 8.516 0.054) 8.545 9.596 ( -0.835 8.286 -0.044) 8.328 9.674 ( -1.060 -0.119 -0.055) 1.068 9.688 ( -2.026 -0.317 0.022) 2.050 9.839 ( -0.745 1.879 0.021) 2.021 9.848 ( -1.193 2.176 0.060) 2.483 10.043 ( 1.818 -6.795 -0.014) 7.034 10.054 ( 1.189 -6.301 0.062) 6.412 10.087 ( 0.388 -0.383 0.432) 0.695 10.091 ( 0.376 -0.746 -0.475) 0.961 10.764 ( 0.841 -0.106 -0.023) 0.848 10.773 ( 0.408 -0.051 0.018) 0.412 11.470 ( -0.486 0.824 0.310) 1.006 11.477 ( -0.862 0.722 0.460) 1.214 11.580 ( 0.369 0.634 -0.447) 0.860 11.602 ( -0.967 0.749 -0.206) 1.240 ======================= Grid point 488 (164/171) ======================= q-point: (-0.10 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( -0.000 22.093 -2.905) 22.284 1.679 ( -0.000 22.093 2.905) 22.284 1.755 ( -0.000 13.626 -0.000) 13.626 1.755 ( -0.000 13.626 0.000) 13.626 2.579 ( -0.000 5.120 -0.119) 5.122 2.579 ( -0.000 5.120 0.119) 5.122 2.833 ( 0.000 0.134 -0.766) 0.777 2.833 ( -0.000 0.134 0.766) 0.777 2.941 ( 0.000 -5.271 -1.694) 5.536 2.941 ( 0.000 -5.271 1.694) 5.536 2.963 ( 0.000 -5.144 -0.889) 5.220 2.963 ( 0.000 -5.144 0.889) 5.220 3.206 ( 0.000 -20.552 -0.002) 20.552 3.206 ( 0.000 -20.552 0.002) 20.552 3.386 ( -0.000 19.800 -2.552) 19.964 3.386 ( -0.000 19.800 2.552) 19.964 3.691 ( 0.000 -1.945 -0.409) 1.988 3.691 ( 0.000 -1.945 0.409) 1.988 3.783 ( 0.000 5.528 -2.433) 6.040 3.783 ( -0.000 5.528 2.433) 6.040 4.167 ( -0.000 7.342 -0.001) 7.342 4.167 ( -0.000 7.342 0.001) 7.342 4.386 ( 0.000 -2.314 -0.103) 2.316 4.386 ( 0.000 -2.314 0.103) 2.316 4.532 ( 0.000 -10.735 -0.035) 10.735 4.532 ( 0.000 -10.735 0.035) 10.735 4.581 ( 0.000 -17.189 -1.427) 17.248 4.581 ( 0.000 -17.189 1.427) 17.248 5.810 ( 0.000 -3.451 -0.376) 3.471 5.810 ( 0.000 -3.451 0.376) 3.471 7.400 ( 0.000 -0.061 -0.035) 0.071 7.400 ( -0.000 -0.061 0.035) 0.071 8.000 ( -0.000 8.419 -0.574) 8.438 8.000 ( -0.000 8.419 0.574) 8.438 8.841 ( 0.000 -4.455 -0.181) 4.459 8.841 ( 0.000 -4.455 0.181) 4.459 9.237 ( -0.000 2.530 -0.324) 2.551 9.237 ( -0.000 2.530 0.324) 2.551 9.488 ( -0.000 10.959 -0.002) 10.959 9.488 ( -0.000 10.959 0.002) 10.959 9.658 ( -0.000 1.434 -0.016) 1.434 9.658 ( -0.000 1.434 0.016) 1.434 9.803 ( -0.000 4.111 -0.135) 4.113 9.803 ( -0.000 4.111 0.135) 4.113 10.097 ( 0.000 -0.656 -0.823) 1.053 10.097 ( -0.000 -0.656 0.823) 1.053 10.148 ( 0.000 -9.638 -0.043) 9.638 10.148 ( 0.000 -9.638 0.043) 9.638 10.776 ( 0.000 -0.196 -0.194) 0.276 10.776 ( -0.000 -0.196 0.194) 0.276 11.456 ( -0.000 1.610 -0.090) 1.613 11.456 ( -0.000 1.610 0.090) 1.613 11.577 ( -0.000 1.430 -0.139) 1.436 11.577 ( -0.000 1.430 0.139) 1.436 ======================= Grid point 530 (165/171) ======================= q-point: ( 0.50 -0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.954 ( -5.785 -2.702 0.000) 6.384 1.954 ( -5.785 2.702 0.000) 6.384 2.119 ( -6.397 -0.865 0.000) 6.456 2.119 ( -6.397 0.865 0.000) 6.456 2.586 ( 0.395 -0.016 0.000) 0.396 2.586 ( 0.395 0.016 0.000) 0.396 2.681 ( 4.264 -0.175 -0.000) 4.268 2.681 ( 4.264 0.175 -0.000) 4.268 2.866 ( 2.625 -1.992 0.000) 3.295 2.866 ( 2.625 1.992 -0.000) 3.295 2.946 ( 0.066 -1.790 0.000) 1.791 2.946 ( 0.066 1.790 -0.000) 1.791 2.955 ( -0.435 -3.725 0.000) 3.750 2.955 ( -0.435 3.725 -0.000) 3.750 3.452 ( 3.631 -1.398 -0.000) 3.891 3.452 ( 3.631 1.398 -0.000) 3.891 3.567 ( 3.777 -0.296 -0.000) 3.789 3.567 ( 3.777 0.296 -0.000) 3.789 3.857 ( -0.453 -10.180 0.000) 10.190 3.857 ( -0.453 10.180 -0.000) 10.190 4.054 ( 5.074 -1.605 -0.000) 5.321 4.054 ( 5.074 1.605 -0.000) 5.321 4.328 ( 1.236 -0.652 0.000) 1.398 4.328 ( 1.236 0.652 -0.000) 1.398 4.472 ( -3.686 -0.009 0.000) 3.686 4.472 ( -3.686 0.009 0.000) 3.686 4.837 ( -16.349 -1.372 0.000) 16.406 4.837 ( -16.349 1.372 0.000) 16.406 5.551 ( 12.235 -0.485 -0.000) 12.244 5.551 ( 12.235 0.485 -0.000) 12.244 7.430 ( -0.853 -0.141 0.000) 0.865 7.430 ( -0.853 0.141 0.000) 0.865 8.231 ( -7.827 -0.701 0.000) 7.858 8.231 ( -7.827 0.701 0.000) 7.858 8.633 ( 7.613 -0.567 -0.000) 7.634 8.633 ( 7.613 0.567 -0.000) 7.634 9.333 ( -3.089 -0.181 0.000) 3.094 9.333 ( -3.089 0.181 0.000) 3.094 9.664 ( -1.330 -0.347 0.000) 1.374 9.664 ( -1.330 0.347 0.000) 1.374 9.703 ( -1.405 -0.173 0.000) 1.416 9.703 ( -1.405 0.173 0.000) 1.416 9.875 ( -1.340 -0.186 0.000) 1.352 9.875 ( -1.340 0.186 0.000) 1.352 9.977 ( 2.092 -0.081 -0.000) 2.093 9.977 ( 2.092 0.081 -0.000) 2.093 10.078 ( 0.735 -1.212 -0.000) 1.418 10.078 ( 0.735 1.212 -0.000) 1.418 10.755 ( 0.818 -0.035 -0.000) 0.819 10.755 ( 0.818 0.035 -0.000) 0.819 11.471 ( -1.196 -0.237 0.000) 1.220 11.471 ( -1.196 0.237 0.000) 1.220 11.620 ( -0.214 -0.120 0.000) 0.246 11.620 ( -0.214 0.120 0.000) 0.246 ======================= Grid point 542 (166/171) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.844 ( 0.000 -4.162 0.000) 4.162 1.844 ( -0.000 4.162 -0.000) 4.162 2.039 ( 0.000 -1.626 0.000) 1.626 2.039 ( -0.000 1.626 -0.000) 1.626 2.563 ( 0.000 -0.651 0.000) 0.651 2.563 ( -0.000 0.651 -0.000) 0.651 2.771 ( 0.000 -1.750 0.000) 1.750 2.771 ( -0.000 1.750 -0.000) 1.750 2.919 ( 0.000 -5.960 0.000) 5.960 2.919 ( -0.000 5.960 -0.000) 5.960 2.931 ( 0.000 -1.477 0.000) 1.477 2.931 ( -0.000 1.477 -0.000) 1.477 2.932 ( 0.000 -2.647 0.000) 2.647 2.932 ( -0.000 2.647 -0.000) 2.647 3.540 ( 0.000 -1.087 0.000) 1.087 3.540 ( -0.000 1.087 -0.000) 1.087 3.638 ( 0.000 -0.263 0.000) 0.263 3.638 ( -0.000 0.263 -0.000) 0.263 4.045 ( 0.000 -19.478 0.000) 19.478 4.045 ( -0.000 19.478 -0.000) 19.478 4.179 ( 0.000 -12.518 0.000) 12.518 4.179 ( -0.000 12.518 -0.000) 12.518 4.331 ( 0.000 -8.981 0.000) 8.981 4.331 ( -0.000 8.981 -0.000) 8.981 4.338 ( 0.000 -9.204 0.000) 9.204 4.338 ( -0.000 9.204 -0.000) 9.204 4.418 ( 0.000 -3.132 0.000) 3.132 4.418 ( -0.000 3.132 -0.000) 3.132 5.774 ( 0.000 -0.602 0.000) 0.602 5.774 ( -0.000 0.602 -0.000) 0.602 7.399 ( 0.000 -0.042 0.000) 0.042 7.399 ( -0.000 0.042 -0.000) 0.042 8.092 ( 0.000 -0.917 0.000) 0.917 8.092 ( -0.000 0.917 -0.000) 0.917 8.788 ( 0.000 -0.410 0.000) 0.410 8.788 ( -0.000 0.410 -0.000) 0.410 9.263 ( 0.000 -0.408 0.000) 0.408 9.263 ( -0.000 0.408 -0.000) 0.408 9.644 ( 0.000 -3.413 0.000) 3.413 9.644 ( -0.000 3.413 -0.000) 3.413 9.655 ( 0.000 -3.469 0.000) 3.469 9.655 ( -0.000 3.469 -0.000) 3.469 9.842 ( 0.000 -0.259 0.000) 0.259 9.842 ( -0.000 0.259 -0.000) 0.259 10.022 ( 0.000 -0.080 0.000) 0.080 10.022 ( -0.000 0.080 -0.000) 0.080 10.089 ( 0.000 -1.126 0.000) 1.126 10.089 ( -0.000 1.126 -0.000) 1.126 10.774 ( 0.000 -0.263 0.000) 0.263 10.774 ( -0.000 0.263 -0.000) 0.263 11.445 ( 0.000 -0.134 0.000) 0.134 11.445 ( -0.000 0.134 -0.000) 0.134 11.613 ( 0.000 -0.285 0.000) 0.285 11.613 ( -0.000 0.285 -0.000) 0.285 ======================= Grid point 554 (167/171) ======================= q-point: (-0.40 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( 0.000 -3.958 0.589) 4.002 1.846 ( -0.000 3.958 0.589) 4.002 2.038 ( 0.000 -1.481 -0.392) 1.531 2.038 ( 0.000 1.481 -0.392) 1.531 2.568 ( -0.000 -0.509 1.220) 1.322 2.568 ( -0.000 0.509 1.220) 1.322 2.773 ( -0.000 -1.694 0.522) 1.773 2.773 ( -0.000 1.694 0.522) 1.773 2.904 ( 0.000 -1.689 -2.712) 3.195 2.904 ( 0.000 1.689 -2.712) 3.195 2.926 ( 0.000 -3.811 -0.317) 3.824 2.926 ( -0.000 3.811 -0.317) 3.824 2.948 ( -0.000 -0.844 2.171) 2.329 2.948 ( -0.000 0.844 2.171) 2.329 3.544 ( -0.000 -1.032 0.830) 1.325 3.544 ( -0.000 1.032 0.830) 1.325 3.640 ( -0.000 -0.161 0.726) 0.743 3.640 ( -0.000 0.161 0.726) 0.743 4.046 ( 0.000 -19.041 0.322) 19.044 4.046 ( -0.000 19.041 0.322) 19.044 4.178 ( 0.000 -12.314 -0.279) 12.317 4.178 ( -0.000 12.314 -0.279) 12.317 4.332 ( 0.000 -9.032 0.148) 9.033 4.332 ( -0.000 9.032 0.148) 9.033 4.338 ( 0.000 -9.237 -0.062) 9.237 4.338 ( -0.000 9.237 -0.062) 9.237 4.417 ( 0.000 -2.997 -0.364) 3.019 4.417 ( -0.000 2.997 -0.364) 3.019 5.774 ( 0.000 -0.549 0.026) 0.550 5.774 ( -0.000 0.549 0.026) 0.550 7.399 ( 0.000 -0.040 0.002) 0.040 7.399 ( -0.000 0.040 0.002) 0.040 8.092 ( 0.000 -0.872 0.034) 0.873 8.092 ( -0.000 0.872 0.034) 0.873 8.788 ( 0.000 -0.391 0.004) 0.391 8.788 ( -0.000 0.391 0.004) 0.391 9.263 ( 0.000 -0.385 0.013) 0.385 9.263 ( -0.000 0.385 0.013) 0.385 9.644 ( 0.000 -3.325 0.026) 3.325 9.644 ( -0.000 3.325 0.026) 3.325 9.655 ( 0.000 -3.380 -0.039) 3.380 9.655 ( -0.000 3.380 -0.039) 3.380 9.843 ( -0.000 -0.240 0.099) 0.259 9.843 ( -0.000 0.240 0.099) 0.259 10.022 ( -0.000 -0.059 0.046) 0.075 10.022 ( -0.000 0.059 0.046) 0.075 10.089 ( 0.000 -1.066 0.029) 1.067 10.089 ( -0.000 1.066 0.029) 1.067 10.774 ( 0.000 -0.246 -0.006) 0.246 10.774 ( -0.000 0.246 -0.006) 0.246 11.447 ( -0.000 -0.123 0.589) 0.602 11.447 ( -0.000 0.123 0.589) 0.602 11.611 ( 0.000 -0.262 -0.443) 0.515 11.611 ( 0.000 0.262 -0.443) 0.515 ======================= Grid point 566 (168/171) ======================= q-point: (-0.30 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( -0.000 -3.345 0.995) 3.490 1.852 ( -0.000 3.345 0.995) 3.490 2.033 ( 0.000 -1.081 -0.675) 1.274 2.033 ( 0.000 1.081 -0.675) 1.274 2.581 ( -0.000 -0.272 2.034) 2.052 2.581 ( -0.000 0.272 2.034) 2.052 2.779 ( -0.000 -1.536 1.006) 1.836 2.779 ( -0.000 1.536 1.006) 1.836 2.882 ( 0.000 -0.827 -2.960) 3.073 2.882 ( 0.000 0.827 -2.960) 3.073 2.923 ( 0.000 -3.650 -0.443) 3.677 2.923 ( -0.000 3.650 -0.443) 3.677 2.963 ( -0.000 -0.448 1.771) 1.827 2.963 ( -0.000 0.448 1.771) 1.827 3.552 ( -0.000 -0.919 1.296) 1.589 3.552 ( -0.000 0.919 1.296) 1.589 3.648 ( -0.000 -0.072 1.231) 1.233 3.648 ( -0.000 0.072 1.231) 1.233 4.050 ( 0.000 -17.522 0.612) 17.533 4.050 ( -0.000 17.522 0.612) 17.533 4.175 ( 0.000 -11.540 -0.521) 11.552 4.175 ( -0.000 11.540 -0.521) 11.552 4.333 ( 0.000 -8.523 0.177) 8.525 4.333 ( -0.000 8.523 0.177) 8.525 4.338 ( 0.000 -8.662 -0.019) 8.662 4.338 ( -0.000 8.662 -0.019) 8.662 4.413 ( 0.000 -2.579 -0.629) 2.655 4.413 ( 0.000 2.579 -0.629) 2.655 5.775 ( -0.000 -0.407 0.042) 0.409 5.775 ( 0.000 0.407 0.042) 0.409 7.399 ( -0.000 -0.032 0.003) 0.033 7.399 ( -0.000 0.032 0.003) 0.033 8.092 ( 0.000 -0.743 0.055) 0.745 8.092 ( -0.000 0.743 0.055) 0.745 8.789 ( 0.000 -0.334 0.007) 0.334 8.789 ( -0.000 0.334 0.007) 0.334 9.263 ( 0.000 -0.318 0.022) 0.319 9.263 ( -0.000 0.318 0.022) 0.319 9.645 ( 0.000 -3.021 0.042) 3.022 9.645 ( -0.000 3.021 0.042) 3.022 9.655 ( 0.000 -3.073 -0.063) 3.073 9.655 ( -0.000 3.073 -0.063) 3.073 9.844 ( -0.000 -0.185 0.160) 0.245 9.844 ( -0.000 0.185 0.160) 0.245 10.023 ( -0.000 -0.031 0.075) 0.081 10.023 ( 0.000 0.031 0.075) 0.081 10.089 ( 0.000 -0.896 0.046) 0.898 10.089 ( -0.000 0.896 0.046) 0.898 10.774 ( 0.000 -0.199 -0.010) 0.199 10.774 ( -0.000 0.199 -0.010) 0.199 11.453 ( -0.000 -0.092 1.014) 1.018 11.453 ( -0.000 0.092 1.014) 1.018 11.606 ( 0.000 -0.199 -0.777) 0.802 11.606 ( 0.000 0.199 -0.777) 0.802 ======================= Grid point 579 (169/171) ======================= q-point: (-0.20 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( -0.000 -2.314 1.059) 2.545 1.861 ( -0.000 2.314 1.059) 2.545 2.028 ( 0.000 -0.555 -0.738) 0.923 2.028 ( 0.000 0.555 -0.738) 0.923 2.597 ( -0.000 -0.109 2.129) 2.132 2.597 ( -0.000 0.109 2.129) 2.132 2.789 ( -0.000 -1.297 1.422) 1.924 2.789 ( -0.000 1.297 1.422) 1.924 2.859 ( 0.000 -0.601 -2.891) 2.953 2.859 ( 0.000 0.601 -2.891) 2.953 2.920 ( 0.000 -2.646 -0.512) 2.695 2.920 ( -0.000 2.646 -0.512) 2.695 2.975 ( -0.000 -0.203 1.233) 1.250 2.975 ( -0.000 0.203 1.233) 1.250 3.562 ( -0.000 -0.662 1.234) 1.401 3.562 ( -0.000 0.662 1.234) 1.401 3.658 ( -0.000 -0.018 1.301) 1.302 3.658 ( -0.000 0.018 1.301) 1.302 4.056 ( 0.000 -14.277 0.758) 14.297 4.056 ( -0.000 14.277 0.758) 14.297 4.170 ( 0.000 -9.630 -0.638) 9.652 4.170 ( -0.000 9.630 -0.638) 9.652 4.334 ( 0.000 -3.761 -0.022) 3.761 4.334 ( -0.000 3.761 -0.022) 3.761 4.338 ( 0.000 -3.760 0.215) 3.767 4.338 ( -0.000 3.760 0.215) 3.767 4.407 ( 0.000 -1.838 -0.691) 1.963 4.407 ( 0.000 1.838 -0.691) 1.963 5.775 ( -0.000 -0.222 0.043) 0.226 5.775 ( 0.000 0.222 0.043) 0.226 7.399 ( -0.000 -0.021 0.003) 0.021 7.399 ( 0.000 0.021 0.003) 0.021 8.093 ( 0.000 -0.540 0.055) 0.543 8.093 ( -0.000 0.540 0.055) 0.543 8.789 ( 0.000 -0.244 0.007) 0.244 8.789 ( -0.000 0.244 0.007) 0.244 9.263 ( 0.000 -0.213 0.022) 0.214 9.263 ( -0.000 0.213 0.022) 0.214 9.645 ( 0.000 -2.397 0.044) 2.397 9.645 ( -0.000 2.397 0.044) 2.397 9.654 ( 0.000 -2.442 -0.064) 2.443 9.654 ( -0.000 2.442 -0.064) 2.443 9.845 ( -0.000 -0.108 0.159) 0.193 9.845 ( -0.000 0.108 0.159) 0.193 10.023 ( -0.000 -0.012 0.076) 0.077 10.023 ( 0.000 0.012 0.076) 0.077 10.090 ( 0.000 -0.642 0.045) 0.643 10.090 ( -0.000 0.642 0.045) 0.643 10.774 ( -0.000 -0.125 -0.010) 0.126 10.774 ( 0.000 0.125 -0.010) 0.126 11.462 ( -0.000 -0.044 1.112) 1.113 11.462 ( -0.000 0.044 1.112) 1.113 11.600 ( 0.000 -0.111 -0.875) 0.882 11.600 ( 0.000 0.111 -0.875) 0.882 ======================= Grid point 592 (170/171) ======================= q-point: (-0.10 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( -0.000 -0.932 0.695) 1.162 1.868 ( 0.000 0.932 0.695) 1.162 2.023 ( 0.000 -0.139 -0.496) 0.515 2.023 ( 0.000 0.139 -0.496) 0.515 2.612 ( -0.000 -0.026 1.379) 1.379 2.612 ( -0.000 0.026 1.379) 1.379 2.801 ( -0.000 -0.999 1.747) 2.012 2.801 ( -0.000 0.999 1.747) 2.012 2.837 ( 0.000 -0.516 -2.557) 2.608 2.837 ( 0.000 0.516 -2.557) 2.608 2.916 ( 0.000 -1.354 -0.359) 1.401 2.916 ( 0.000 1.354 -0.359) 1.401 2.982 ( -0.000 -0.053 0.632) 0.634 2.982 ( 0.000 0.053 0.632) 0.634 3.570 ( -0.000 -0.247 0.731) 0.772 3.570 ( 0.000 0.247 0.731) 0.772 3.667 ( -0.000 -0.001 0.838) 0.838 3.667 ( 0.000 0.001 0.838) 0.838 4.061 ( 0.000 -8.413 0.569) 8.432 4.061 ( -0.000 8.413 0.569) 8.432 4.166 ( 0.000 -5.624 -0.478) 5.644 4.166 ( 0.000 5.624 -0.478) 5.644 4.333 ( -0.000 -0.346 -0.072) 0.354 4.333 ( 0.000 0.346 -0.072) 0.354 4.340 ( -0.000 -0.232 0.218) 0.318 4.340 ( 0.000 0.232 0.218) 0.318 4.403 ( 0.000 -0.761 -0.467) 0.893 4.403 ( 0.000 0.761 -0.467) 0.893 5.775 ( -0.000 -0.063 0.026) 0.068 5.775 ( 0.000 0.063 0.026) 0.068 7.399 ( -0.000 -0.008 0.002) 0.008 7.399 ( 0.000 0.008 0.002) 0.008 8.093 ( 0.000 -0.283 0.034) 0.285 8.093 ( -0.000 0.283 0.034) 0.285 8.789 ( 0.000 -0.128 0.004) 0.128 8.789 ( -0.000 0.128 0.004) 0.128 9.264 ( -0.000 -0.083 0.013) 0.084 9.264 ( 0.000 0.083 0.013) 0.084 9.645 ( 0.000 -1.349 0.028) 1.349 9.645 ( -0.000 1.349 0.028) 1.349 9.654 ( 0.000 -1.391 -0.040) 1.391 9.654 ( -0.000 1.391 -0.040) 1.391 9.846 ( -0.000 -0.033 0.098) 0.104 9.846 ( 0.000 0.033 0.098) 0.104 10.024 ( -0.000 -0.003 0.047) 0.047 10.024 ( 0.000 0.003 0.047) 0.047 10.090 ( 0.000 -0.333 0.028) 0.334 10.090 ( -0.000 0.333 0.028) 0.334 10.774 ( -0.000 -0.043 -0.006) 0.043 10.774 ( 0.000 0.043 -0.006) 0.043 11.469 ( -0.000 -0.007 0.754) 0.754 11.469 ( -0.000 0.007 0.754) 0.754 11.594 ( 0.000 -0.032 -0.607) 0.608 11.594 ( 0.000 0.032 -0.607) 0.608 ======================= Grid point 594 (171/171) ======================= q-point: (-1.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 4.31e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( -3.427 -0.000 0.000) 3.427 1.871 ( 3.427 0.000 -0.000) 3.427 2.021 ( -2.037 -0.000 0.000) 2.037 2.021 ( 2.037 0.000 -0.000) 2.037 2.617 ( -2.489 -0.000 0.000) 2.489 2.617 ( 2.489 0.000 -0.000) 2.489 2.813 ( -1.613 -0.000 0.000) 1.613 2.813 ( 1.613 0.000 -0.000) 1.613 2.823 ( -2.427 -0.000 0.000) 2.427 2.823 ( 2.427 0.000 -0.000) 2.427 2.915 ( -0.633 -0.000 0.000) 0.633 2.915 ( 0.633 0.000 -0.000) 0.633 2.985 ( -1.746 -0.000 0.000) 1.746 2.985 ( 1.746 0.000 -0.000) 1.746 3.573 ( -2.793 -0.000 0.000) 2.793 3.573 ( 2.793 0.000 -0.000) 2.793 3.671 ( -1.339 -0.000 0.000) 1.339 3.671 ( 1.339 0.000 -0.000) 1.339 4.063 ( -0.123 -0.000 0.000) 0.123 4.063 ( 0.123 0.000 -0.000) 0.123 4.164 ( -4.440 -0.000 0.000) 4.440 4.164 ( 4.440 0.000 -0.000) 4.440 4.333 ( -1.683 -0.000 0.000) 1.683 4.333 ( 1.683 0.000 -0.000) 1.683 4.341 ( -2.610 -0.000 0.000) 2.610 4.341 ( 2.610 0.000 -0.000) 2.610 4.401 ( -2.886 -0.000 0.000) 2.886 4.401 ( 2.886 0.000 -0.000) 2.886 5.775 ( -1.088 -0.000 0.000) 1.088 5.775 ( 1.088 0.000 -0.000) 1.088 7.399 ( -0.035 -0.000 0.000) 0.035 7.399 ( 0.035 0.000 -0.000) 0.035 8.093 ( -0.060 -0.000 0.000) 0.060 8.093 ( 0.060 0.000 -0.000) 0.060 8.789 ( -0.040 -0.000 0.000) 0.040 8.789 ( 0.040 0.000 -0.000) 0.040 9.264 ( -0.294 -0.000 0.000) 0.294 9.264 ( 0.294 0.000 -0.000) 0.294 9.645 ( -0.540 -0.000 0.000) 0.540 9.645 ( 0.540 0.000 -0.000) 0.540 9.654 ( -0.120 -0.000 0.000) 0.120 9.654 ( 0.120 0.000 -0.000) 0.120 9.847 ( -0.329 -0.000 0.000) 0.329 9.847 ( 0.329 0.000 -0.000) 0.329 10.024 ( -0.395 -0.000 0.000) 0.395 10.024 ( 0.395 0.000 -0.000) 0.395 10.090 ( -0.040 -0.000 0.000) 0.040 10.090 ( 0.040 0.000 -0.000) 0.040 10.774 ( -0.271 -0.000 0.000) 0.271 10.774 ( 0.271 0.000 -0.000) 0.271 11.472 ( -0.191 -0.000 0.000) 0.191 11.472 ( 0.191 0.000 -0.000) 0.191 11.591 ( -0.670 -0.000 0.000) 0.670 11.591 ( 0.670 0.000 -0.000) 0.670 =================== 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 3/54000 10.0 86.872 93.312 45.084 -0.000 -0.000 0.000 3/54000 20.0 46.659 51.712 13.536 -0.000 -0.000 0.000 3/54000 30.0 26.491 29.486 6.597 -0.000 -0.000 0.000 3/54000 40.0 18.736 20.718 4.130 -0.000 -0.000 0.000 3/54000 50.0 14.904 16.331 2.992 -0.000 -0.000 0.000 3/54000 60.0 12.581 13.683 2.357 -0.000 -0.000 0.000 3/54000 70.0 10.973 11.870 1.953 -0.000 -0.000 0.000 3/54000 80.0 9.767 10.524 1.672 -0.000 -0.000 0.000 3/54000 90.0 8.816 9.473 1.465 -0.000 -0.000 0.000 3/54000 100.0 8.042 8.623 1.305 -0.000 -0.000 0.000 3/54000 110.0 7.397 7.918 1.178 -0.000 -0.000 0.000 3/54000 120.0 6.850 7.323 1.074 -0.000 -0.000 0.000 3/54000 130.0 6.380 6.813 0.987 -0.000 -0.000 0.000 3/54000 140.0 5.972 6.370 0.914 -0.000 -0.000 0.000 3/54000 150.0 5.613 5.983 0.851 -0.000 -0.000 0.000 3/54000 160.0 5.295 5.640 0.796 -0.000 -0.000 0.000 3/54000 170.0 5.012 5.335 0.748 -0.000 -0.000 0.000 3/54000 180.0 4.757 5.062 0.706 -0.000 -0.000 0.000 3/54000 190.0 4.528 4.815 0.668 -0.000 -0.000 0.000 3/54000 200.0 4.319 4.591 0.634 -0.000 -0.000 0.000 3/54000 210.0 4.129 4.388 0.604 -0.000 -0.000 0.000 3/54000 220.0 3.955 4.201 0.576 -0.000 -0.000 0.000 3/54000 230.0 3.795 4.030 0.551 -0.000 -0.000 0.000 3/54000 240.0 3.648 3.872 0.528 -0.000 -0.000 0.000 3/54000 250.0 3.511 3.727 0.507 -0.000 -0.000 0.000 3/54000 260.0 3.385 3.591 0.487 -0.000 -0.000 0.000 3/54000 270.0 3.267 3.466 0.469 -0.000 -0.000 0.000 3/54000 280.0 3.157 3.348 0.452 -0.000 -0.000 0.000 3/54000 290.0 3.054 3.239 0.437 -0.000 -0.000 0.000 3/54000 300.0 2.958 3.136 0.422 -0.000 -0.000 0.000 3/54000 310.0 2.867 3.040 0.409 -0.000 -0.000 0.000 3/54000 320.0 2.782 2.949 0.396 -0.000 -0.000 0.000 3/54000 330.0 2.702 2.864 0.384 -0.000 -0.000 0.000 3/54000 340.0 2.627 2.783 0.373 -0.000 -0.000 0.000 3/54000 350.0 2.555 2.707 0.362 -0.000 -0.000 0.000 3/54000 360.0 2.487 2.635 0.352 -0.000 -0.000 0.000 3/54000 370.0 2.423 2.567 0.343 -0.000 -0.000 0.000 3/54000 380.0 2.362 2.502 0.334 -0.000 -0.000 0.000 3/54000 390.0 2.304 2.440 0.325 -0.000 -0.000 0.000 3/54000 400.0 2.249 2.382 0.317 -0.000 -0.000 0.000 3/54000 410.0 2.196 2.326 0.309 -0.000 -0.000 0.000 3/54000 420.0 2.146 2.272 0.302 -0.000 -0.000 0.000 3/54000 430.0 2.098 2.221 0.295 -0.000 -0.000 0.000 3/54000 440.0 2.052 2.172 0.288 -0.000 -0.000 0.000 3/54000 450.0 2.008 2.126 0.282 -0.000 -0.000 0.000 3/54000 460.0 1.966 2.081 0.276 -0.000 -0.000 0.000 3/54000 470.0 1.925 2.038 0.270 -0.000 -0.000 0.000 3/54000 480.0 1.887 1.997 0.264 -0.000 -0.000 0.000 3/54000 490.0 1.849 1.957 0.259 -0.000 -0.000 0.000 3/54000 500.0 1.814 1.920 0.254 -0.000 -0.000 0.000 3/54000 510.0 1.779 1.883 0.249 -0.000 -0.000 0.000 3/54000 520.0 1.746 1.848 0.244 -0.000 -0.000 0.000 3/54000 530.0 1.714 1.814 0.240 -0.000 -0.000 0.000 3/54000 540.0 1.683 1.781 0.235 -0.000 -0.000 0.000 3/54000 550.0 1.654 1.750 0.231 -0.000 -0.000 0.000 3/54000 560.0 1.625 1.719 0.227 -0.000 -0.000 0.000 3/54000 570.0 1.597 1.690 0.223 -0.000 -0.000 0.000 3/54000 580.0 1.570 1.662 0.219 -0.000 -0.000 0.000 3/54000 590.0 1.545 1.634 0.215 -0.000 -0.000 0.000 3/54000 600.0 1.519 1.608 0.212 -0.000 -0.000 0.000 3/54000 610.0 1.495 1.582 0.208 -0.000 -0.000 0.000 3/54000 620.0 1.472 1.557 0.205 -0.000 -0.000 0.000 3/54000 630.0 1.449 1.533 0.202 -0.000 -0.000 0.000 3/54000 640.0 1.427 1.509 0.199 -0.000 -0.000 0.000 3/54000 650.0 1.406 1.487 0.196 -0.000 -0.000 0.000 3/54000 660.0 1.385 1.465 0.193 -0.000 -0.000 0.000 3/54000 670.0 1.365 1.443 0.190 -0.000 -0.000 0.000 3/54000 680.0 1.345 1.423 0.187 -0.000 -0.000 0.000 3/54000 690.0 1.326 1.402 0.184 -0.000 -0.000 0.000 3/54000 700.0 1.307 1.383 0.182 -0.000 -0.000 0.000 3/54000 710.0 1.289 1.364 0.179 -0.000 -0.000 0.000 3/54000 720.0 1.272 1.345 0.177 -0.000 -0.000 0.000 3/54000 730.0 1.255 1.327 0.174 -0.000 -0.000 0.000 3/54000 740.0 1.238 1.310 0.172 -0.000 -0.000 0.000 3/54000 750.0 1.222 1.292 0.170 -0.000 -0.000 0.000 3/54000 760.0 1.206 1.276 0.167 -0.000 -0.000 0.000 3/54000 770.0 1.191 1.260 0.165 -0.000 -0.000 0.000 3/54000 780.0 1.176 1.244 0.163 -0.000 -0.000 0.000 3/54000 790.0 1.162 1.228 0.161 -0.000 -0.000 0.000 3/54000 800.0 1.147 1.213 0.159 -0.000 -0.000 0.000 3/54000 810.0 1.133 1.199 0.157 -0.000 -0.000 0.000 3/54000 820.0 1.120 1.184 0.155 -0.000 -0.000 0.000 3/54000 830.0 1.107 1.170 0.153 -0.000 -0.000 0.000 3/54000 840.0 1.094 1.156 0.152 -0.000 -0.000 0.000 3/54000 850.0 1.081 1.143 0.150 -0.000 -0.000 0.000 3/54000 860.0 1.069 1.130 0.148 -0.000 -0.000 0.000 3/54000 870.0 1.057 1.117 0.146 -0.000 -0.000 0.000 3/54000 880.0 1.045 1.105 0.145 -0.000 -0.000 0.000 3/54000 890.0 1.033 1.093 0.143 -0.000 -0.000 0.000 3/54000 900.0 1.022 1.081 0.141 -0.000 -0.000 0.000 3/54000 910.0 1.011 1.069 0.140 -0.000 -0.000 0.000 3/54000 920.0 1.000 1.058 0.138 -0.000 -0.000 0.000 3/54000 930.0 0.990 1.046 0.137 -0.000 -0.000 0.000 3/54000 940.0 0.979 1.035 0.135 -0.000 -0.000 0.000 3/54000 950.0 0.969 1.025 0.134 -0.000 -0.000 0.000 3/54000 960.0 0.959 1.014 0.133 -0.000 -0.000 0.000 3/54000 970.0 0.950 1.004 0.131 -0.000 -0.000 0.000 3/54000 980.0 0.940 0.994 0.130 -0.000 -0.000 0.000 3/54000 990.0 0.931 0.984 0.129 -0.000 -0.000 0.000 3/54000 1000.0 0.922 0.974 0.127 -0.000 -0.000 0.000 3/54000 Thermal conductivity related properties were written into "kappa-m101010.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:10:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|