----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:14:18]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.942422560000000 -3.682735345000000 0.000000000000000 b 3.942422560000000 3.682735345000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.104633920000002 Atomic positions (fractional): *1 Li 0.15887688737107 0.15887688737107 0.00000000000000 6.941 2 Li 0.84112311262893 0.84112311262893 0.50000000000000 6.941 3 Li 0.84112311262893 0.84112311262893 0.00000000000000 6.941 4 Li 0.15887688737107 0.15887688737107 0.50000000000000 6.941 *5 Li 0.12261069811771 0.58416660686716 0.25000000000000 6.941 6 Li 0.87738930188229 0.41583339313284 0.75000000000000 6.941 7 Li 0.41583339313284 0.87738930188229 0.25000000000000 6.941 8 Li 0.58416660686716 0.12261069811771 0.75000000000000 6.941 *9 O 0.33260291910113 0.27040423668729 0.25000000000000 15.999 10 O 0.66739708089887 0.72959576331271 0.75000000000000 15.999 *11 O 0.79711406504282 0.20288593495718 0.00101837140902 15.999 12 O 0.20288593495718 0.79711406504282 0.50101837140902 15.999 13 O 0.79711406504282 0.20288593495718 0.49898162859098 15.999 14 O 0.20288593495718 0.79711406504282 0.99898162859098 15.999 15 O 0.72959576331271 0.66739708089887 0.25000000000000 15.999 16 O 0.27040423668729 0.33260291910113 0.75000000000000 15.999 *17 Ti 0.65882675558430 0.34117324441570 0.25000000000000 47.867 18 Ti 0.34117324441570 0.65882675558430 0.75000000000000 47.867 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.884845120000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.365470690000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.104633920000002 Atomic positions (fractional): *1 Li 0.15887688737107 0.00000000000000 0.00000000000000 6.941 > 1 2 Li 0.84112311262893 0.00000000000000 0.50000000000000 6.941 > 2 3 Li 0.84112311262893 0.00000000000000 0.00000000000000 6.941 > 3 4 Li 0.15887688737107 0.00000000000000 0.50000000000000 6.941 > 4 *5 Li 0.35338865249244 0.23077795437473 0.25000000000000 6.941 > 5 6 Li 0.64661134750756 0.76922204562527 0.75000000000000 6.941 > 6 7 Li 0.64661134750756 0.23077795437473 0.25000000000000 6.941 > 7 8 Li 0.35338865249244 0.76922204562527 0.75000000000000 6.941 > 8 9 Li 0.65887688737107 0.50000000000000 0.00000000000000 6.941 > 1 10 Li 0.34112311262893 0.50000000000000 0.50000000000000 6.941 > 2 11 Li 0.34112311262893 0.50000000000000 0.00000000000000 6.941 > 3 12 Li 0.65887688737107 0.50000000000000 0.50000000000000 6.941 > 4 13 Li 0.85338865249244 0.73077795437473 0.25000000000000 6.941 > 5 14 Li 0.14661134750756 0.26922204562527 0.75000000000000 6.941 > 6 15 Li 0.14661134750756 0.73077795437473 0.25000000000000 6.941 > 7 16 Li 0.85338865249244 0.26922204562527 0.75000000000000 6.941 > 8 *17 O 0.30150357789421 0.96890065879308 0.25000000000000 15.999 > 9 18 O 0.69849642210579 0.03109934120692 0.75000000000000 15.999 > 10 *19 O 0.50000000000000 0.70288593495718 0.00101837140902 15.999 > 11 20 O 0.50000000000000 0.29711406504282 0.50101837140902 15.999 > 12 21 O 0.50000000000000 0.70288593495718 0.49898162859098 15.999 > 13 22 O 0.50000000000000 0.29711406504282 0.99898162859098 15.999 > 14 23 O 0.69849642210579 0.96890065879308 0.25000000000000 15.999 > 15 24 O 0.30150357789421 0.03109934120692 0.75000000000000 15.999 > 16 25 O 0.80150357789421 0.46890065879308 0.25000000000000 15.999 > 9 26 O 0.19849642210579 0.53109934120692 0.75000000000000 15.999 > 10 27 O 0.00000000000000 0.20288593495718 0.00101837140902 15.999 > 11 28 O 0.00000000000000 0.79711406504282 0.50101837140902 15.999 > 12 29 O 0.00000000000000 0.20288593495718 0.49898162859098 15.999 > 13 30 O 0.00000000000000 0.79711406504282 0.99898162859098 15.999 > 14 31 O 0.19849642210579 0.46890065879308 0.25000000000000 15.999 > 15 32 O 0.80150357789421 0.53109934120692 0.75000000000000 15.999 > 16 *33 Ti 0.50000000000000 0.84117324441570 0.25000000000000 47.867 > 17 34 Ti 0.50000000000000 0.15882675558430 0.75000000000000 47.867 > 18 35 Ti 0.00000000000000 0.34117324441570 0.25000000000000 47.867 > 17 36 Ti 0.00000000000000 0.65882675558430 0.75000000000000 47.867 > 18 -------------------------------- super cell -------------------------------- Lattice vectors: a 7.884845120000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.730941380000001 0.000000000000000 c 0.000000000000000 0.000000000000000 12.209267840000004 Atomic positions (fractional): *1 Li 0.15887688737107 0.00000000000000 0.00000000000000 6.941 > 1 2 Li 0.15887688737107 0.50000000000000 0.00000000000000 6.941 > 1 3 Li 0.15887688737107 0.00000000000000 0.50000000000000 6.941 > 1 4 Li 0.15887688737107 0.50000000000000 0.50000000000000 6.941 > 1 5 Li 0.84112311262893 0.00000000000000 0.25000000000000 6.941 > 2 6 Li 0.84112311262893 0.50000000000000 0.25000000000000 6.941 > 2 7 Li 0.84112311262893 0.00000000000000 0.75000000000000 6.941 > 2 8 Li 0.84112311262893 0.50000000000000 0.75000000000000 6.941 > 2 9 Li 0.84112311262893 0.00000000000000 0.00000000000000 6.941 > 3 10 Li 0.84112311262893 0.50000000000000 0.00000000000000 6.941 > 3 11 Li 0.84112311262893 0.00000000000000 0.50000000000000 6.941 > 3 12 Li 0.84112311262893 0.50000000000000 0.50000000000000 6.941 > 3 13 Li 0.15887688737107 0.00000000000000 0.25000000000000 6.941 > 4 14 Li 0.15887688737107 0.50000000000000 0.25000000000000 6.941 > 4 15 Li 0.15887688737107 0.00000000000000 0.75000000000000 6.941 > 4 16 Li 0.15887688737107 0.50000000000000 0.75000000000000 6.941 > 4 *17 Li 0.35338865249244 0.11538897718736 0.12500000000000 6.941 > 5 18 Li 0.35338865249244 0.61538897718736 0.12500000000000 6.941 > 5 19 Li 0.35338865249244 0.11538897718736 0.62500000000000 6.941 > 5 20 Li 0.35338865249244 0.61538897718736 0.62500000000000 6.941 > 5 21 Li 0.64661134750756 0.38461102281264 0.37500000000000 6.941 > 6 22 Li 0.64661134750756 0.88461102281264 0.37500000000000 6.941 > 6 23 Li 0.64661134750756 0.38461102281264 0.87500000000000 6.941 > 6 24 Li 0.64661134750756 0.88461102281264 0.87500000000000 6.941 > 6 25 Li 0.64661134750756 0.11538897718736 0.12500000000000 6.941 > 7 26 Li 0.64661134750756 0.61538897718736 0.12500000000000 6.941 > 7 27 Li 0.64661134750756 0.11538897718736 0.62500000000000 6.941 > 7 28 Li 0.64661134750756 0.61538897718736 0.62500000000000 6.941 > 7 29 Li 0.35338865249244 0.38461102281264 0.37500000000000 6.941 > 8 30 Li 0.35338865249244 0.88461102281264 0.37500000000000 6.941 > 8 31 Li 0.35338865249244 0.38461102281264 0.87500000000000 6.941 > 8 32 Li 0.35338865249244 0.88461102281264 0.87500000000000 6.941 > 8 33 Li 0.65887688737107 0.25000000000000 0.00000000000000 6.941 > 1 34 Li 0.65887688737107 0.75000000000000 0.00000000000000 6.941 > 1 35 Li 0.65887688737107 0.25000000000000 0.50000000000000 6.941 > 1 36 Li 0.65887688737107 0.75000000000000 0.50000000000000 6.941 > 1 37 Li 0.34112311262893 0.25000000000000 0.25000000000000 6.941 > 2 38 Li 0.34112311262893 0.75000000000000 0.25000000000000 6.941 > 2 39 Li 0.34112311262893 0.25000000000000 0.75000000000000 6.941 > 2 40 Li 0.34112311262893 0.75000000000000 0.75000000000000 6.941 > 2 41 Li 0.34112311262893 0.25000000000000 0.00000000000000 6.941 > 3 42 Li 0.34112311262893 0.75000000000000 0.00000000000000 6.941 > 3 43 Li 0.34112311262893 0.25000000000000 0.50000000000000 6.941 > 3 44 Li 0.34112311262893 0.75000000000000 0.50000000000000 6.941 > 3 45 Li 0.65887688737107 0.25000000000000 0.25000000000000 6.941 > 4 46 Li 0.65887688737107 0.75000000000000 0.25000000000000 6.941 > 4 47 Li 0.65887688737107 0.25000000000000 0.75000000000000 6.941 > 4 48 Li 0.65887688737107 0.75000000000000 0.75000000000000 6.941 > 4 49 Li 0.85338865249244 0.36538897718736 0.12500000000000 6.941 > 5 50 Li 0.85338865249244 0.86538897718736 0.12500000000000 6.941 > 5 51 Li 0.85338865249244 0.36538897718736 0.62500000000000 6.941 > 5 52 Li 0.85338865249244 0.86538897718736 0.62500000000000 6.941 > 5 53 Li 0.14661134750756 0.13461102281264 0.37500000000000 6.941 > 6 54 Li 0.14661134750756 0.63461102281264 0.37500000000000 6.941 > 6 55 Li 0.14661134750756 0.13461102281264 0.87500000000000 6.941 > 6 56 Li 0.14661134750756 0.63461102281264 0.87500000000000 6.941 > 6 57 Li 0.14661134750756 0.36538897718736 0.12500000000000 6.941 > 7 58 Li 0.14661134750756 0.86538897718736 0.12500000000000 6.941 > 7 59 Li 0.14661134750756 0.36538897718736 0.62500000000000 6.941 > 7 60 Li 0.14661134750756 0.86538897718736 0.62500000000000 6.941 > 7 61 Li 0.85338865249244 0.13461102281264 0.37500000000000 6.941 > 8 62 Li 0.85338865249244 0.63461102281264 0.37500000000000 6.941 > 8 63 Li 0.85338865249244 0.13461102281264 0.87500000000000 6.941 > 8 64 Li 0.85338865249244 0.63461102281264 0.87500000000000 6.941 > 8 *65 O 0.30150357789421 0.48445032939654 0.12500000000000 15.999 > 9 66 O 0.30150357789421 0.98445032939654 0.12500000000000 15.999 > 9 67 O 0.30150357789421 0.48445032939654 0.62500000000000 15.999 > 9 68 O 0.30150357789421 0.98445032939654 0.62500000000000 15.999 > 9 69 O 0.69849642210579 0.01554967060346 0.37500000000000 15.999 > 10 70 O 0.69849642210579 0.51554967060346 0.37500000000000 15.999 > 10 71 O 0.69849642210579 0.01554967060346 0.87500000000000 15.999 > 10 72 O 0.69849642210579 0.51554967060346 0.87500000000000 15.999 > 10 *73 O 0.50000000000000 0.35144296747859 0.00050918570451 15.999 > 11 74 O 0.50000000000000 0.85144296747859 0.00050918570451 15.999 > 11 75 O 0.50000000000000 0.35144296747859 0.50050918570451 15.999 > 11 76 O 0.50000000000000 0.85144296747859 0.50050918570451 15.999 > 11 77 O 0.50000000000000 0.14855703252141 0.25050918570451 15.999 > 12 78 O 0.50000000000000 0.64855703252141 0.25050918570451 15.999 > 12 79 O 0.50000000000000 0.14855703252141 0.75050918570451 15.999 > 12 80 O 0.50000000000000 0.64855703252141 0.75050918570451 15.999 > 12 81 O 0.50000000000000 0.35144296747859 0.24949081429549 15.999 > 13 82 O 0.50000000000000 0.85144296747859 0.24949081429549 15.999 > 13 83 O 0.50000000000000 0.35144296747859 0.74949081429549 15.999 > 13 84 O 0.50000000000000 0.85144296747859 0.74949081429549 15.999 > 13 85 O 0.50000000000000 0.14855703252141 0.49949081429549 15.999 > 14 86 O 0.50000000000000 0.64855703252141 0.49949081429549 15.999 > 14 87 O 0.50000000000000 0.14855703252141 0.99949081429549 15.999 > 14 88 O 0.50000000000000 0.64855703252141 0.99949081429549 15.999 > 14 89 O 0.69849642210579 0.48445032939654 0.12500000000000 15.999 > 15 90 O 0.69849642210579 0.98445032939654 0.12500000000000 15.999 > 15 91 O 0.69849642210579 0.48445032939654 0.62500000000000 15.999 > 15 92 O 0.69849642210579 0.98445032939654 0.62500000000000 15.999 > 15 93 O 0.30150357789421 0.01554967060346 0.37500000000000 15.999 > 16 94 O 0.30150357789421 0.51554967060346 0.37500000000000 15.999 > 16 95 O 0.30150357789421 0.01554967060346 0.87500000000000 15.999 > 16 96 O 0.30150357789421 0.51554967060346 0.87500000000000 15.999 > 16 97 O 0.80150357789421 0.23445032939654 0.12500000000000 15.999 > 9 98 O 0.80150357789421 0.73445032939654 0.12500000000000 15.999 > 9 99 O 0.80150357789421 0.23445032939654 0.62500000000000 15.999 > 9 100 O 0.80150357789421 0.73445032939654 0.62500000000000 15.999 > 9 101 O 0.19849642210579 0.26554967060346 0.37500000000000 15.999 > 10 102 O 0.19849642210579 0.76554967060346 0.37500000000000 15.999 > 10 103 O 0.19849642210579 0.26554967060346 0.87500000000000 15.999 > 10 104 O 0.19849642210579 0.76554967060346 0.87500000000000 15.999 > 10 105 O 0.00000000000000 0.10144296747859 0.00050918570451 15.999 > 11 106 O 0.00000000000000 0.60144296747859 0.00050918570451 15.999 > 11 107 O 0.00000000000000 0.10144296747859 0.50050918570451 15.999 > 11 108 O 0.00000000000000 0.60144296747859 0.50050918570451 15.999 > 11 109 O 0.00000000000000 0.39855703252141 0.25050918570451 15.999 > 12 110 O 0.00000000000000 0.89855703252141 0.25050918570451 15.999 > 12 111 O 0.00000000000000 0.39855703252141 0.75050918570451 15.999 > 12 112 O 0.00000000000000 0.89855703252141 0.75050918570451 15.999 > 12 113 O 0.00000000000000 0.10144296747859 0.24949081429549 15.999 > 13 114 O 0.00000000000000 0.60144296747859 0.24949081429549 15.999 > 13 115 O 0.00000000000000 0.10144296747859 0.74949081429549 15.999 > 13 116 O 0.00000000000000 0.60144296747859 0.74949081429549 15.999 > 13 117 O 0.00000000000000 0.39855703252141 0.49949081429549 15.999 > 14 118 O 0.00000000000000 0.89855703252141 0.49949081429549 15.999 > 14 119 O 0.00000000000000 0.39855703252141 0.99949081429549 15.999 > 14 120 O 0.00000000000000 0.89855703252141 0.99949081429549 15.999 > 14 121 O 0.19849642210579 0.23445032939654 0.12500000000000 15.999 > 15 122 O 0.19849642210579 0.73445032939654 0.12500000000000 15.999 > 15 123 O 0.19849642210579 0.23445032939654 0.62500000000000 15.999 > 15 124 O 0.19849642210579 0.73445032939654 0.62500000000000 15.999 > 15 125 O 0.80150357789421 0.26554967060346 0.37500000000000 15.999 > 16 126 O 0.80150357789421 0.76554967060346 0.37500000000000 15.999 > 16 127 O 0.80150357789421 0.26554967060346 0.87500000000000 15.999 > 16 128 O 0.80150357789421 0.76554967060346 0.87500000000000 15.999 > 16 *129 Ti 0.50000000000000 0.42058662220785 0.12500000000000 47.867 > 17 130 Ti 0.50000000000000 0.92058662220785 0.12500000000000 47.867 > 17 131 Ti 0.50000000000000 0.42058662220785 0.62500000000000 47.867 > 17 132 Ti 0.50000000000000 0.92058662220785 0.62500000000000 47.867 > 17 133 Ti 0.50000000000000 0.07941337779215 0.37500000000000 47.867 > 18 134 Ti 0.50000000000000 0.57941337779215 0.37500000000000 47.867 > 18 135 Ti 0.50000000000000 0.07941337779215 0.87500000000000 47.867 > 18 136 Ti 0.50000000000000 0.57941337779215 0.87500000000000 47.867 > 18 137 Ti 0.00000000000000 0.17058662220785 0.12500000000000 47.867 > 17 138 Ti 0.00000000000000 0.67058662220785 0.12500000000000 47.867 > 17 139 Ti 0.00000000000000 0.17058662220785 0.62500000000000 47.867 > 17 140 Ti 0.00000000000000 0.67058662220785 0.62500000000000 47.867 > 17 141 Ti 0.00000000000000 0.32941337779215 0.37500000000000 47.867 > 18 142 Ti 0.00000000000000 0.82941337779215 0.37500000000000 47.867 > 18 143 Ti 0.00000000000000 0.32941337779215 0.87500000000000 47.867 > 18 144 Ti 0.00000000000000 0.82941337779215 0.87500000000000 47.867 > 18 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3984649 0.0000000 0.0000000 0.0000000 3.1752974 0.0000000 0.0000000 0.0000000 3.3642400 -------------------------- Born effective charges -------------------------- 1 Li 1.1944209 0.0000000 0.0000000 0.0000000 1.0974245 -0.1889619 0.0000000 0.1641511 0.9102011 2 Li 1.1944209 0.0000000 0.0000000 0.0000000 1.0974245 0.1889619 0.0000000 -0.1641511 0.9102011 3 Li 1.1944209 0.0000000 0.0000000 0.0000000 1.0974245 -0.1889619 0.0000000 0.1641511 0.9102011 4 Li 1.1944209 0.0000000 0.0000000 0.0000000 1.0974245 0.1889619 0.0000000 -0.1641511 0.9102011 5 Li 1.0347135 -0.3075292 0.0000000 -0.1505714 0.9913925 0.0000000 0.0000000 0.0000000 1.1861066 6 Li 1.0347135 -0.3075292 0.0000000 -0.1505714 0.9913925 0.0000000 0.0000000 0.0000000 1.1861066 7 Li 1.0347135 0.3075292 0.0000000 0.1505714 0.9913925 0.0000000 0.0000000 0.0000000 1.1861066 8 Li 1.0347135 0.3075292 0.0000000 0.1505714 0.9913925 0.0000000 0.0000000 0.0000000 1.1861066 9 O -2.3901009 0.6999041 0.0000000 0.6020988 -1.7034825 0.0000000 0.0000000 0.0000000 -1.2949905 10 O -2.3901009 0.6999041 0.0000000 0.6020988 -1.7034825 0.0000000 0.0000000 0.0000000 -1.2949905 11 O -1.3812624 0.0000000 0.0000000 0.0000000 -1.7640748 -0.4982984 0.0000000 -0.7822284 -2.5017745 12 O -1.3812624 0.0000000 0.0000000 0.0000000 -1.7640748 0.4982984 0.0000000 0.7822284 -2.5017745 13 O -1.3812624 0.0000000 0.0000000 0.0000000 -1.7640748 0.4982984 0.0000000 0.7822284 -2.5017745 14 O -1.3812624 0.0000000 0.0000000 0.0000000 -1.7640748 -0.4982984 0.0000000 -0.7822284 -2.5017745 15 O -2.3901009 -0.6999041 0.0000000 -0.6020988 -1.7034825 0.0000000 0.0000000 0.0000000 -1.2949905 16 O -2.3901009 -0.6999041 0.0000000 -0.6020988 -1.7034825 0.0000000 0.0000000 0.0000000 -1.2949905 17 Ti 3.0844577 0.0000000 0.0000000 0.0000000 2.7574807 0.0000000 0.0000000 0.0000000 3.4009148 18 Ti 3.0844577 0.0000000 0.0000000 0.0000000 2.7574807 0.0000000 0.0000000 0.0000000 3.4009148 ---------------------------------------------------------------------------- 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: 14256/14256 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1612 Number of blocks in projector: 1612 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: 332 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 312 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 244 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 244 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 244 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 236 Use standard eigh solver. Tree of FC basis block matrices: - (1612, 1589), data: False |-- (236, 236), data: True |-- (244, 239), data: True |-- (244, 239), data: True |-- (244, 239), data: True |-- (312, 308), data: True |-- (332, 328), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 320 - Time: 0.459 Solver_block: 200 / 320 - Time: 0.434 Solver_block: 300 / 320 - Time: 0.435 Solver_block: 320 / 320 - Time: 0.150 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.509 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 14256/14256 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1612 Number of blocks in projector: 1612 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: 332 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 312 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 244 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 244 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 244 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 236 Use standard eigh solver. Tree of FC basis block matrices: - (1612, 1589), data: False |-- (236, 236), data: True |-- (244, 239), data: True |-- (244, 239), data: True |-- (244, 239), data: True |-- (312, 308), data: True |-- (332, 328), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:14:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:14:35]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.942422560000000 -3.682735345000000 0.000000000000000 b 3.942422560000000 3.682735345000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.104633920000002 Atomic positions (fractional): 1 Li 0.15887688737107 0.15887688737107 0.00000000000000 6.941 2 Li 0.84112311262893 0.84112311262893 0.50000000000000 6.941 3 Li 0.84112311262893 0.84112311262893 0.00000000000000 6.941 4 Li 0.15887688737107 0.15887688737107 0.50000000000000 6.941 5 Li 0.12261069811771 0.58416660686716 0.25000000000000 6.941 6 Li 0.87738930188229 0.41583339313284 0.75000000000000 6.941 7 Li 0.41583339313284 0.87738930188229 0.25000000000000 6.941 8 Li 0.58416660686716 0.12261069811771 0.75000000000000 6.941 9 O 0.33260291910113 0.27040423668729 0.25000000000000 15.999 10 O 0.66739708089887 0.72959576331271 0.75000000000000 15.999 11 O 0.79711406504282 0.20288593495718 0.00101837140902 15.999 12 O 0.20288593495718 0.79711406504282 0.50101837140902 15.999 13 O 0.79711406504282 0.20288593495718 0.49898162859098 15.999 14 O 0.20288593495718 0.79711406504282 0.99898162859098 15.999 15 O 0.72959576331271 0.66739708089887 0.25000000000000 15.999 16 O 0.27040423668729 0.33260291910113 0.75000000000000 15.999 17 Ti 0.65882675558430 0.34117324441570 0.25000000000000 47.867 18 Ti 0.34117324441570 0.65882675558430 0.75000000000000 47.867 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.884845120000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.730941380000001 0.000000000000000 c 0.000000000000000 0.000000000000000 12.209267840000004 Atomic positions (fractional): 1 Li 0.15887688737107 0.00000000000000 0.00000000000000 6.941 > 1 2 Li 0.15887688737107 0.50000000000000 0.00000000000000 6.941 > 1 3 Li 0.15887688737107 0.00000000000000 0.50000000000000 6.941 > 1 4 Li 0.15887688737107 0.50000000000000 0.50000000000000 6.941 > 1 5 Li 0.84112311262893 0.00000000000000 0.25000000000000 6.941 > 5 6 Li 0.84112311262893 0.50000000000000 0.25000000000000 6.941 > 5 7 Li 0.84112311262893 0.00000000000000 0.75000000000000 6.941 > 5 8 Li 0.84112311262893 0.50000000000000 0.75000000000000 6.941 > 5 9 Li 0.84112311262893 0.00000000000000 0.00000000000000 6.941 > 9 10 Li 0.84112311262893 0.50000000000000 0.00000000000000 6.941 > 9 11 Li 0.84112311262893 0.00000000000000 0.50000000000000 6.941 > 9 12 Li 0.84112311262893 0.50000000000000 0.50000000000000 6.941 > 9 13 Li 0.15887688737107 0.00000000000000 0.25000000000000 6.941 > 13 14 Li 0.15887688737107 0.50000000000000 0.25000000000000 6.941 > 13 15 Li 0.15887688737107 0.00000000000000 0.75000000000000 6.941 > 13 16 Li 0.15887688737107 0.50000000000000 0.75000000000000 6.941 > 13 17 Li 0.35338865249244 0.11538897718736 0.12500000000000 6.941 > 17 18 Li 0.35338865249244 0.61538897718736 0.12500000000000 6.941 > 17 19 Li 0.35338865249244 0.11538897718736 0.62500000000000 6.941 > 17 20 Li 0.35338865249244 0.61538897718736 0.62500000000000 6.941 > 17 21 Li 0.64661134750756 0.38461102281264 0.37500000000000 6.941 > 21 22 Li 0.64661134750756 0.88461102281264 0.37500000000000 6.941 > 21 23 Li 0.64661134750756 0.38461102281264 0.87500000000000 6.941 > 21 24 Li 0.64661134750756 0.88461102281264 0.87500000000000 6.941 > 21 25 Li 0.64661134750756 0.11538897718736 0.12500000000000 6.941 > 25 26 Li 0.64661134750756 0.61538897718736 0.12500000000000 6.941 > 25 27 Li 0.64661134750756 0.11538897718736 0.62500000000000 6.941 > 25 28 Li 0.64661134750756 0.61538897718736 0.62500000000000 6.941 > 25 29 Li 0.35338865249244 0.38461102281264 0.37500000000000 6.941 > 29 30 Li 0.35338865249244 0.88461102281264 0.37500000000000 6.941 > 29 31 Li 0.35338865249244 0.38461102281264 0.87500000000000 6.941 > 29 32 Li 0.35338865249244 0.88461102281264 0.87500000000000 6.941 > 29 33 Li 0.65887688737107 0.25000000000000 0.00000000000000 6.941 > 1 34 Li 0.65887688737107 0.75000000000000 0.00000000000000 6.941 > 1 35 Li 0.65887688737107 0.25000000000000 0.50000000000000 6.941 > 1 36 Li 0.65887688737107 0.75000000000000 0.50000000000000 6.941 > 1 37 Li 0.34112311262893 0.25000000000000 0.25000000000000 6.941 > 5 38 Li 0.34112311262893 0.75000000000000 0.25000000000000 6.941 > 5 39 Li 0.34112311262893 0.25000000000000 0.75000000000000 6.941 > 5 40 Li 0.34112311262893 0.75000000000000 0.75000000000000 6.941 > 5 41 Li 0.34112311262893 0.25000000000000 0.00000000000000 6.941 > 9 42 Li 0.34112311262893 0.75000000000000 0.00000000000000 6.941 > 9 43 Li 0.34112311262893 0.25000000000000 0.50000000000000 6.941 > 9 44 Li 0.34112311262893 0.75000000000000 0.50000000000000 6.941 > 9 45 Li 0.65887688737107 0.25000000000000 0.25000000000000 6.941 > 13 46 Li 0.65887688737107 0.75000000000000 0.25000000000000 6.941 > 13 47 Li 0.65887688737107 0.25000000000000 0.75000000000000 6.941 > 13 48 Li 0.65887688737107 0.75000000000000 0.75000000000000 6.941 > 13 49 Li 0.85338865249244 0.36538897718736 0.12500000000000 6.941 > 17 50 Li 0.85338865249244 0.86538897718736 0.12500000000000 6.941 > 17 51 Li 0.85338865249244 0.36538897718736 0.62500000000000 6.941 > 17 52 Li 0.85338865249244 0.86538897718736 0.62500000000000 6.941 > 17 53 Li 0.14661134750756 0.13461102281264 0.37500000000000 6.941 > 21 54 Li 0.14661134750756 0.63461102281264 0.37500000000000 6.941 > 21 55 Li 0.14661134750756 0.13461102281264 0.87500000000000 6.941 > 21 56 Li 0.14661134750756 0.63461102281264 0.87500000000000 6.941 > 21 57 Li 0.14661134750756 0.36538897718736 0.12500000000000 6.941 > 25 58 Li 0.14661134750756 0.86538897718736 0.12500000000000 6.941 > 25 59 Li 0.14661134750756 0.36538897718736 0.62500000000000 6.941 > 25 60 Li 0.14661134750756 0.86538897718736 0.62500000000000 6.941 > 25 61 Li 0.85338865249244 0.13461102281264 0.37500000000000 6.941 > 29 62 Li 0.85338865249244 0.63461102281264 0.37500000000000 6.941 > 29 63 Li 0.85338865249244 0.13461102281264 0.87500000000000 6.941 > 29 64 Li 0.85338865249244 0.63461102281264 0.87500000000000 6.941 > 29 65 O 0.30150357789421 0.48445032939654 0.12500000000000 15.999 > 65 66 O 0.30150357789421 0.98445032939654 0.12500000000000 15.999 > 65 67 O 0.30150357789421 0.48445032939654 0.62500000000000 15.999 > 65 68 O 0.30150357789421 0.98445032939654 0.62500000000000 15.999 > 65 69 O 0.69849642210579 0.01554967060346 0.37500000000000 15.999 > 69 70 O 0.69849642210579 0.51554967060346 0.37500000000000 15.999 > 69 71 O 0.69849642210579 0.01554967060346 0.87500000000000 15.999 > 69 72 O 0.69849642210579 0.51554967060346 0.87500000000000 15.999 > 69 73 O 0.50000000000000 0.35144296747859 0.00050918570451 15.999 > 73 74 O 0.50000000000000 0.85144296747859 0.00050918570451 15.999 > 73 75 O 0.50000000000000 0.35144296747859 0.50050918570451 15.999 > 73 76 O 0.50000000000000 0.85144296747859 0.50050918570451 15.999 > 73 77 O 0.50000000000000 0.14855703252141 0.25050918570451 15.999 > 77 78 O 0.50000000000000 0.64855703252141 0.25050918570451 15.999 > 77 79 O 0.50000000000000 0.14855703252141 0.75050918570451 15.999 > 77 80 O 0.50000000000000 0.64855703252141 0.75050918570451 15.999 > 77 81 O 0.50000000000000 0.35144296747859 0.24949081429549 15.999 > 81 82 O 0.50000000000000 0.85144296747859 0.24949081429549 15.999 > 81 83 O 0.50000000000000 0.35144296747859 0.74949081429549 15.999 > 81 84 O 0.50000000000000 0.85144296747859 0.74949081429549 15.999 > 81 85 O 0.50000000000000 0.14855703252141 0.49949081429549 15.999 > 85 86 O 0.50000000000000 0.64855703252141 0.49949081429549 15.999 > 85 87 O 0.50000000000000 0.14855703252141 0.99949081429549 15.999 > 85 88 O 0.50000000000000 0.64855703252141 0.99949081429549 15.999 > 85 89 O 0.69849642210579 0.48445032939654 0.12500000000000 15.999 > 89 90 O 0.69849642210579 0.98445032939654 0.12500000000000 15.999 > 89 91 O 0.69849642210579 0.48445032939654 0.62500000000000 15.999 > 89 92 O 0.69849642210579 0.98445032939654 0.62500000000000 15.999 > 89 93 O 0.30150357789421 0.01554967060346 0.37500000000000 15.999 > 93 94 O 0.30150357789421 0.51554967060346 0.37500000000000 15.999 > 93 95 O 0.30150357789421 0.01554967060346 0.87500000000000 15.999 > 93 96 O 0.30150357789421 0.51554967060346 0.87500000000000 15.999 > 93 97 O 0.80150357789421 0.23445032939654 0.12500000000000 15.999 > 65 98 O 0.80150357789421 0.73445032939654 0.12500000000000 15.999 > 65 99 O 0.80150357789421 0.23445032939654 0.62500000000000 15.999 > 65 100 O 0.80150357789421 0.73445032939654 0.62500000000000 15.999 > 65 101 O 0.19849642210579 0.26554967060346 0.37500000000000 15.999 > 69 102 O 0.19849642210579 0.76554967060346 0.37500000000000 15.999 > 69 103 O 0.19849642210579 0.26554967060346 0.87500000000000 15.999 > 69 104 O 0.19849642210579 0.76554967060346 0.87500000000000 15.999 > 69 105 O 0.00000000000000 0.10144296747859 0.00050918570451 15.999 > 73 106 O 0.00000000000000 0.60144296747859 0.00050918570451 15.999 > 73 107 O 0.00000000000000 0.10144296747859 0.50050918570451 15.999 > 73 108 O 0.00000000000000 0.60144296747859 0.50050918570451 15.999 > 73 109 O 0.00000000000000 0.39855703252141 0.25050918570451 15.999 > 77 110 O 0.00000000000000 0.89855703252141 0.25050918570451 15.999 > 77 111 O 0.00000000000000 0.39855703252141 0.75050918570451 15.999 > 77 112 O 0.00000000000000 0.89855703252141 0.75050918570451 15.999 > 77 113 O 0.00000000000000 0.10144296747859 0.24949081429549 15.999 > 81 114 O 0.00000000000000 0.60144296747859 0.24949081429549 15.999 > 81 115 O 0.00000000000000 0.10144296747859 0.74949081429549 15.999 > 81 116 O 0.00000000000000 0.60144296747859 0.74949081429549 15.999 > 81 117 O 0.00000000000000 0.39855703252141 0.49949081429549 15.999 > 85 118 O 0.00000000000000 0.89855703252141 0.49949081429549 15.999 > 85 119 O 0.00000000000000 0.39855703252141 0.99949081429549 15.999 > 85 120 O 0.00000000000000 0.89855703252141 0.99949081429549 15.999 > 85 121 O 0.19849642210579 0.23445032939654 0.12500000000000 15.999 > 89 122 O 0.19849642210579 0.73445032939654 0.12500000000000 15.999 > 89 123 O 0.19849642210579 0.23445032939654 0.62500000000000 15.999 > 89 124 O 0.19849642210579 0.73445032939654 0.62500000000000 15.999 > 89 125 O 0.80150357789421 0.26554967060346 0.37500000000000 15.999 > 93 126 O 0.80150357789421 0.76554967060346 0.37500000000000 15.999 > 93 127 O 0.80150357789421 0.26554967060346 0.87500000000000 15.999 > 93 128 O 0.80150357789421 0.76554967060346 0.87500000000000 15.999 > 93 129 Ti 0.50000000000000 0.42058662220785 0.12500000000000 47.867 > 129 130 Ti 0.50000000000000 0.92058662220785 0.12500000000000 47.867 > 129 131 Ti 0.50000000000000 0.42058662220785 0.62500000000000 47.867 > 129 132 Ti 0.50000000000000 0.92058662220785 0.62500000000000 47.867 > 129 133 Ti 0.50000000000000 0.07941337779215 0.37500000000000 47.867 > 133 134 Ti 0.50000000000000 0.57941337779215 0.37500000000000 47.867 > 133 135 Ti 0.50000000000000 0.07941337779215 0.87500000000000 47.867 > 133 136 Ti 0.50000000000000 0.57941337779215 0.87500000000000 47.867 > 133 137 Ti 0.00000000000000 0.17058662220785 0.12500000000000 47.867 > 129 138 Ti 0.00000000000000 0.67058662220785 0.12500000000000 47.867 > 129 139 Ti 0.00000000000000 0.17058662220785 0.62500000000000 47.867 > 129 140 Ti 0.00000000000000 0.67058662220785 0.62500000000000 47.867 > 129 141 Ti 0.00000000000000 0.32941337779215 0.37500000000000 47.867 > 133 142 Ti 0.00000000000000 0.82941337779215 0.37500000000000 47.867 > 133 143 Ti 0.00000000000000 0.32941337779215 0.87500000000000 47.867 > 133 144 Ti 0.00000000000000 0.82941337779215 0.87500000000000 47.867 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3984649 0.0000000 0.0000000 0.0000000 3.1752974 0.0000000 0.0000000 0.0000000 3.3642400 -------------------------- Born effective charges -------------------------- 1 Li 1.1944209 0.0000000 0.0000000 0.0000000 1.0974245 -0.1889619 0.0000000 0.1641511 0.9102011 2 Li 1.1944209 0.0000000 0.0000000 0.0000000 1.0974245 0.1889619 0.0000000 -0.1641511 0.9102011 3 Li 1.1944209 0.0000000 0.0000000 0.0000000 1.0974245 -0.1889619 0.0000000 0.1641511 0.9102011 4 Li 1.1944209 0.0000000 0.0000000 0.0000000 1.0974245 0.1889619 0.0000000 -0.1641511 0.9102011 5 Li 1.0347135 -0.3075292 0.0000000 -0.1505714 0.9913925 0.0000000 0.0000000 0.0000000 1.1861066 6 Li 1.0347135 -0.3075292 0.0000000 -0.1505714 0.9913925 0.0000000 0.0000000 0.0000000 1.1861066 7 Li 1.0347135 0.3075292 0.0000000 0.1505714 0.9913925 0.0000000 0.0000000 0.0000000 1.1861066 8 Li 1.0347135 0.3075292 0.0000000 0.1505714 0.9913925 0.0000000 0.0000000 0.0000000 1.1861066 9 O -2.3901009 0.6999041 0.0000000 0.6020988 -1.7034825 0.0000000 0.0000000 0.0000000 -1.2949905 10 O -2.3901009 0.6999041 0.0000000 0.6020988 -1.7034825 0.0000000 0.0000000 0.0000000 -1.2949905 11 O -1.3812624 0.0000000 0.0000000 0.0000000 -1.7640748 -0.4982984 0.0000000 -0.7822284 -2.5017745 12 O -1.3812624 0.0000000 0.0000000 0.0000000 -1.7640748 0.4982984 0.0000000 0.7822284 -2.5017745 13 O -1.3812624 0.0000000 0.0000000 0.0000000 -1.7640748 0.4982984 0.0000000 0.7822284 -2.5017745 14 O -1.3812624 0.0000000 0.0000000 0.0000000 -1.7640748 -0.4982984 0.0000000 -0.7822284 -2.5017745 15 O -2.3901009 -0.6999041 0.0000000 -0.6020988 -1.7034825 0.0000000 0.0000000 0.0000000 -1.2949905 16 O -2.3901009 -0.6999041 0.0000000 -0.6020988 -1.7034825 0.0000000 0.0000000 0.0000000 -1.2949905 17 Ti 3.0844577 0.0000000 0.0000000 0.0000000 2.7574807 0.0000000 0.0000000 0.0000000 3.4009148 18 Ti 3.0844577 0.0000000 0.0000000 0.0000000 2.7574807 0.0000000 0.0000000 0.0000000 3.4009148 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 129, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000002 (xyx) 0.00000002 (xyx) 0.00000002 (xxy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zy) -0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:14:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:14:55]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.942422560000000 -3.682735345000000 0.000000000000000 b 3.942422560000000 3.682735345000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.104633920000002 Atomic positions (fractional): 1 Li 0.15887688737107 0.15887688737107 0.00000000000000 6.941 2 Li 0.84112311262893 0.84112311262893 0.50000000000000 6.941 3 Li 0.84112311262893 0.84112311262893 0.00000000000000 6.941 4 Li 0.15887688737107 0.15887688737107 0.50000000000000 6.941 5 Li 0.12261069811771 0.58416660686716 0.25000000000000 6.941 6 Li 0.87738930188229 0.41583339313284 0.75000000000000 6.941 7 Li 0.41583339313284 0.87738930188229 0.25000000000000 6.941 8 Li 0.58416660686716 0.12261069811771 0.75000000000000 6.941 9 O 0.33260291910113 0.27040423668729 0.25000000000000 15.999 10 O 0.66739708089887 0.72959576331271 0.75000000000000 15.999 11 O 0.79711406504282 0.20288593495718 0.00101837140902 15.999 12 O 0.20288593495718 0.79711406504282 0.50101837140902 15.999 13 O 0.79711406504282 0.20288593495718 0.49898162859098 15.999 14 O 0.20288593495718 0.79711406504282 0.99898162859098 15.999 15 O 0.72959576331271 0.66739708089887 0.25000000000000 15.999 16 O 0.27040423668729 0.33260291910113 0.75000000000000 15.999 17 Ti 0.65882675558430 0.34117324441570 0.25000000000000 47.867 18 Ti 0.34117324441570 0.65882675558430 0.75000000000000 47.867 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.884845120000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.730941380000001 0.000000000000000 c 0.000000000000000 0.000000000000000 12.209267840000004 Atomic positions (fractional): 1 Li 0.15887688737107 0.00000000000000 0.00000000000000 6.941 > 1 2 Li 0.15887688737107 0.50000000000000 0.00000000000000 6.941 > 1 3 Li 0.15887688737107 0.00000000000000 0.50000000000000 6.941 > 1 4 Li 0.15887688737107 0.50000000000000 0.50000000000000 6.941 > 1 5 Li 0.84112311262893 0.00000000000000 0.25000000000000 6.941 > 5 6 Li 0.84112311262893 0.50000000000000 0.25000000000000 6.941 > 5 7 Li 0.84112311262893 0.00000000000000 0.75000000000000 6.941 > 5 8 Li 0.84112311262893 0.50000000000000 0.75000000000000 6.941 > 5 9 Li 0.84112311262893 0.00000000000000 0.00000000000000 6.941 > 9 10 Li 0.84112311262893 0.50000000000000 0.00000000000000 6.941 > 9 11 Li 0.84112311262893 0.00000000000000 0.50000000000000 6.941 > 9 12 Li 0.84112311262893 0.50000000000000 0.50000000000000 6.941 > 9 13 Li 0.15887688737107 0.00000000000000 0.25000000000000 6.941 > 13 14 Li 0.15887688737107 0.50000000000000 0.25000000000000 6.941 > 13 15 Li 0.15887688737107 0.00000000000000 0.75000000000000 6.941 > 13 16 Li 0.15887688737107 0.50000000000000 0.75000000000000 6.941 > 13 17 Li 0.35338865249244 0.11538897718736 0.12500000000000 6.941 > 17 18 Li 0.35338865249244 0.61538897718736 0.12500000000000 6.941 > 17 19 Li 0.35338865249244 0.11538897718736 0.62500000000000 6.941 > 17 20 Li 0.35338865249244 0.61538897718736 0.62500000000000 6.941 > 17 21 Li 0.64661134750756 0.38461102281264 0.37500000000000 6.941 > 21 22 Li 0.64661134750756 0.88461102281264 0.37500000000000 6.941 > 21 23 Li 0.64661134750756 0.38461102281264 0.87500000000000 6.941 > 21 24 Li 0.64661134750756 0.88461102281264 0.87500000000000 6.941 > 21 25 Li 0.64661134750756 0.11538897718736 0.12500000000000 6.941 > 25 26 Li 0.64661134750756 0.61538897718736 0.12500000000000 6.941 > 25 27 Li 0.64661134750756 0.11538897718736 0.62500000000000 6.941 > 25 28 Li 0.64661134750756 0.61538897718736 0.62500000000000 6.941 > 25 29 Li 0.35338865249244 0.38461102281264 0.37500000000000 6.941 > 29 30 Li 0.35338865249244 0.88461102281264 0.37500000000000 6.941 > 29 31 Li 0.35338865249244 0.38461102281264 0.87500000000000 6.941 > 29 32 Li 0.35338865249244 0.88461102281264 0.87500000000000 6.941 > 29 33 Li 0.65887688737107 0.25000000000000 0.00000000000000 6.941 > 1 34 Li 0.65887688737107 0.75000000000000 0.00000000000000 6.941 > 1 35 Li 0.65887688737107 0.25000000000000 0.50000000000000 6.941 > 1 36 Li 0.65887688737107 0.75000000000000 0.50000000000000 6.941 > 1 37 Li 0.34112311262893 0.25000000000000 0.25000000000000 6.941 > 5 38 Li 0.34112311262893 0.75000000000000 0.25000000000000 6.941 > 5 39 Li 0.34112311262893 0.25000000000000 0.75000000000000 6.941 > 5 40 Li 0.34112311262893 0.75000000000000 0.75000000000000 6.941 > 5 41 Li 0.34112311262893 0.25000000000000 0.00000000000000 6.941 > 9 42 Li 0.34112311262893 0.75000000000000 0.00000000000000 6.941 > 9 43 Li 0.34112311262893 0.25000000000000 0.50000000000000 6.941 > 9 44 Li 0.34112311262893 0.75000000000000 0.50000000000000 6.941 > 9 45 Li 0.65887688737107 0.25000000000000 0.25000000000000 6.941 > 13 46 Li 0.65887688737107 0.75000000000000 0.25000000000000 6.941 > 13 47 Li 0.65887688737107 0.25000000000000 0.75000000000000 6.941 > 13 48 Li 0.65887688737107 0.75000000000000 0.75000000000000 6.941 > 13 49 Li 0.85338865249244 0.36538897718736 0.12500000000000 6.941 > 17 50 Li 0.85338865249244 0.86538897718736 0.12500000000000 6.941 > 17 51 Li 0.85338865249244 0.36538897718736 0.62500000000000 6.941 > 17 52 Li 0.85338865249244 0.86538897718736 0.62500000000000 6.941 > 17 53 Li 0.14661134750756 0.13461102281264 0.37500000000000 6.941 > 21 54 Li 0.14661134750756 0.63461102281264 0.37500000000000 6.941 > 21 55 Li 0.14661134750756 0.13461102281264 0.87500000000000 6.941 > 21 56 Li 0.14661134750756 0.63461102281264 0.87500000000000 6.941 > 21 57 Li 0.14661134750756 0.36538897718736 0.12500000000000 6.941 > 25 58 Li 0.14661134750756 0.86538897718736 0.12500000000000 6.941 > 25 59 Li 0.14661134750756 0.36538897718736 0.62500000000000 6.941 > 25 60 Li 0.14661134750756 0.86538897718736 0.62500000000000 6.941 > 25 61 Li 0.85338865249244 0.13461102281264 0.37500000000000 6.941 > 29 62 Li 0.85338865249244 0.63461102281264 0.37500000000000 6.941 > 29 63 Li 0.85338865249244 0.13461102281264 0.87500000000000 6.941 > 29 64 Li 0.85338865249244 0.63461102281264 0.87500000000000 6.941 > 29 65 O 0.30150357789421 0.48445032939654 0.12500000000000 15.999 > 65 66 O 0.30150357789421 0.98445032939654 0.12500000000000 15.999 > 65 67 O 0.30150357789421 0.48445032939654 0.62500000000000 15.999 > 65 68 O 0.30150357789421 0.98445032939654 0.62500000000000 15.999 > 65 69 O 0.69849642210579 0.01554967060346 0.37500000000000 15.999 > 69 70 O 0.69849642210579 0.51554967060346 0.37500000000000 15.999 > 69 71 O 0.69849642210579 0.01554967060346 0.87500000000000 15.999 > 69 72 O 0.69849642210579 0.51554967060346 0.87500000000000 15.999 > 69 73 O 0.50000000000000 0.35144296747859 0.00050918570451 15.999 > 73 74 O 0.50000000000000 0.85144296747859 0.00050918570451 15.999 > 73 75 O 0.50000000000000 0.35144296747859 0.50050918570451 15.999 > 73 76 O 0.50000000000000 0.85144296747859 0.50050918570451 15.999 > 73 77 O 0.50000000000000 0.14855703252141 0.25050918570451 15.999 > 77 78 O 0.50000000000000 0.64855703252141 0.25050918570451 15.999 > 77 79 O 0.50000000000000 0.14855703252141 0.75050918570451 15.999 > 77 80 O 0.50000000000000 0.64855703252141 0.75050918570451 15.999 > 77 81 O 0.50000000000000 0.35144296747859 0.24949081429549 15.999 > 81 82 O 0.50000000000000 0.85144296747859 0.24949081429549 15.999 > 81 83 O 0.50000000000000 0.35144296747859 0.74949081429549 15.999 > 81 84 O 0.50000000000000 0.85144296747859 0.74949081429549 15.999 > 81 85 O 0.50000000000000 0.14855703252141 0.49949081429549 15.999 > 85 86 O 0.50000000000000 0.64855703252141 0.49949081429549 15.999 > 85 87 O 0.50000000000000 0.14855703252141 0.99949081429549 15.999 > 85 88 O 0.50000000000000 0.64855703252141 0.99949081429549 15.999 > 85 89 O 0.69849642210579 0.48445032939654 0.12500000000000 15.999 > 89 90 O 0.69849642210579 0.98445032939654 0.12500000000000 15.999 > 89 91 O 0.69849642210579 0.48445032939654 0.62500000000000 15.999 > 89 92 O 0.69849642210579 0.98445032939654 0.62500000000000 15.999 > 89 93 O 0.30150357789421 0.01554967060346 0.37500000000000 15.999 > 93 94 O 0.30150357789421 0.51554967060346 0.37500000000000 15.999 > 93 95 O 0.30150357789421 0.01554967060346 0.87500000000000 15.999 > 93 96 O 0.30150357789421 0.51554967060346 0.87500000000000 15.999 > 93 97 O 0.80150357789421 0.23445032939654 0.12500000000000 15.999 > 65 98 O 0.80150357789421 0.73445032939654 0.12500000000000 15.999 > 65 99 O 0.80150357789421 0.23445032939654 0.62500000000000 15.999 > 65 100 O 0.80150357789421 0.73445032939654 0.62500000000000 15.999 > 65 101 O 0.19849642210579 0.26554967060346 0.37500000000000 15.999 > 69 102 O 0.19849642210579 0.76554967060346 0.37500000000000 15.999 > 69 103 O 0.19849642210579 0.26554967060346 0.87500000000000 15.999 > 69 104 O 0.19849642210579 0.76554967060346 0.87500000000000 15.999 > 69 105 O 0.00000000000000 0.10144296747859 0.00050918570451 15.999 > 73 106 O 0.00000000000000 0.60144296747859 0.00050918570451 15.999 > 73 107 O 0.00000000000000 0.10144296747859 0.50050918570451 15.999 > 73 108 O 0.00000000000000 0.60144296747859 0.50050918570451 15.999 > 73 109 O 0.00000000000000 0.39855703252141 0.25050918570451 15.999 > 77 110 O 0.00000000000000 0.89855703252141 0.25050918570451 15.999 > 77 111 O 0.00000000000000 0.39855703252141 0.75050918570451 15.999 > 77 112 O 0.00000000000000 0.89855703252141 0.75050918570451 15.999 > 77 113 O 0.00000000000000 0.10144296747859 0.24949081429549 15.999 > 81 114 O 0.00000000000000 0.60144296747859 0.24949081429549 15.999 > 81 115 O 0.00000000000000 0.10144296747859 0.74949081429549 15.999 > 81 116 O 0.00000000000000 0.60144296747859 0.74949081429549 15.999 > 81 117 O 0.00000000000000 0.39855703252141 0.49949081429549 15.999 > 85 118 O 0.00000000000000 0.89855703252141 0.49949081429549 15.999 > 85 119 O 0.00000000000000 0.39855703252141 0.99949081429549 15.999 > 85 120 O 0.00000000000000 0.89855703252141 0.99949081429549 15.999 > 85 121 O 0.19849642210579 0.23445032939654 0.12500000000000 15.999 > 89 122 O 0.19849642210579 0.73445032939654 0.12500000000000 15.999 > 89 123 O 0.19849642210579 0.23445032939654 0.62500000000000 15.999 > 89 124 O 0.19849642210579 0.73445032939654 0.62500000000000 15.999 > 89 125 O 0.80150357789421 0.26554967060346 0.37500000000000 15.999 > 93 126 O 0.80150357789421 0.76554967060346 0.37500000000000 15.999 > 93 127 O 0.80150357789421 0.26554967060346 0.87500000000000 15.999 > 93 128 O 0.80150357789421 0.76554967060346 0.87500000000000 15.999 > 93 129 Ti 0.50000000000000 0.42058662220785 0.12500000000000 47.867 > 129 130 Ti 0.50000000000000 0.92058662220785 0.12500000000000 47.867 > 129 131 Ti 0.50000000000000 0.42058662220785 0.62500000000000 47.867 > 129 132 Ti 0.50000000000000 0.92058662220785 0.62500000000000 47.867 > 129 133 Ti 0.50000000000000 0.07941337779215 0.37500000000000 47.867 > 133 134 Ti 0.50000000000000 0.57941337779215 0.37500000000000 47.867 > 133 135 Ti 0.50000000000000 0.07941337779215 0.87500000000000 47.867 > 133 136 Ti 0.50000000000000 0.57941337779215 0.87500000000000 47.867 > 133 137 Ti 0.00000000000000 0.17058662220785 0.12500000000000 47.867 > 129 138 Ti 0.00000000000000 0.67058662220785 0.12500000000000 47.867 > 129 139 Ti 0.00000000000000 0.17058662220785 0.62500000000000 47.867 > 129 140 Ti 0.00000000000000 0.67058662220785 0.62500000000000 47.867 > 129 141 Ti 0.00000000000000 0.32941337779215 0.37500000000000 47.867 > 133 142 Ti 0.00000000000000 0.82941337779215 0.37500000000000 47.867 > 133 143 Ti 0.00000000000000 0.32941337779215 0.87500000000000 47.867 > 133 144 Ti 0.00000000000000 0.82941337779215 0.87500000000000 47.867 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.3984649 0.0000000 0.0000000 0.0000000 3.1752974 0.0000000 0.0000000 0.0000000 3.3642400 -------------------------- Born effective charges -------------------------- 1 Li 1.1944209 0.0000000 0.0000000 0.0000000 1.0974245 -0.1889619 0.0000000 0.1641511 0.9102011 2 Li 1.1944209 0.0000000 0.0000000 0.0000000 1.0974245 0.1889619 0.0000000 -0.1641511 0.9102011 3 Li 1.1944209 0.0000000 0.0000000 0.0000000 1.0974245 -0.1889619 0.0000000 0.1641511 0.9102011 4 Li 1.1944209 0.0000000 0.0000000 0.0000000 1.0974245 0.1889619 0.0000000 -0.1641511 0.9102011 5 Li 1.0347135 -0.3075292 0.0000000 -0.1505714 0.9913925 0.0000000 0.0000000 0.0000000 1.1861066 6 Li 1.0347135 -0.3075292 0.0000000 -0.1505714 0.9913925 0.0000000 0.0000000 0.0000000 1.1861066 7 Li 1.0347135 0.3075292 0.0000000 0.1505714 0.9913925 0.0000000 0.0000000 0.0000000 1.1861066 8 Li 1.0347135 0.3075292 0.0000000 0.1505714 0.9913925 0.0000000 0.0000000 0.0000000 1.1861066 9 O -2.3901009 0.6999041 0.0000000 0.6020988 -1.7034825 0.0000000 0.0000000 0.0000000 -1.2949905 10 O -2.3901009 0.6999041 0.0000000 0.6020988 -1.7034825 0.0000000 0.0000000 0.0000000 -1.2949905 11 O -1.3812624 0.0000000 0.0000000 0.0000000 -1.7640748 -0.4982984 0.0000000 -0.7822284 -2.5017745 12 O -1.3812624 0.0000000 0.0000000 0.0000000 -1.7640748 0.4982984 0.0000000 0.7822284 -2.5017745 13 O -1.3812624 0.0000000 0.0000000 0.0000000 -1.7640748 0.4982984 0.0000000 0.7822284 -2.5017745 14 O -1.3812624 0.0000000 0.0000000 0.0000000 -1.7640748 -0.4982984 0.0000000 -0.7822284 -2.5017745 15 O -2.3901009 -0.6999041 0.0000000 -0.6020988 -1.7034825 0.0000000 0.0000000 0.0000000 -1.2949905 16 O -2.3901009 -0.6999041 0.0000000 -0.6020988 -1.7034825 0.0000000 0.0000000 0.0000000 -1.2949905 17 Ti 3.0844577 0.0000000 0.0000000 0.0000000 2.7574807 0.0000000 0.0000000 0.0000000 3.4009148 18 Ti 3.0844577 0.0000000 0.0000000 0.0000000 2.7574807 0.0000000 0.0000000 0.0000000 3.4009148 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (xyx) 0.00000002 (xyx) 0.00000002 (xxy) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 9 8 ] 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: 0.74, Number of G-points: 285, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/125) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 125 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 3.133 ( 0.000 0.000 0.000) 0.000 4.385 ( 0.000 0.000 0.000) 0.000 5.761 ( 0.000 0.000 0.000) 0.000 5.910 ( 0.000 0.000 0.000) 0.000 6.148 ( 0.000 0.000 0.000) 0.000 7.217 ( 0.000 0.000 0.000) 0.000 7.269 ( 0.000 0.000 0.000) 0.000 7.613 ( 0.000 0.000 0.000) 0.000 8.171 ( 0.000 0.000 0.000) 0.000 8.507 ( 0.000 0.000 0.000) 0.000 8.559 ( 0.000 0.000 0.000) 0.000 8.777 ( 0.000 0.000 0.000) 0.000 8.902 ( 0.000 0.000 0.000) 0.000 9.532 ( 0.000 0.000 0.000) 0.000 9.779 ( 0.000 0.000 0.000) 0.000 10.284 ( 0.000 0.000 0.000) 0.000 10.476 ( 0.000 0.000 0.000) 0.000 10.511 ( 0.000 0.000 0.000) 0.000 11.139 ( 0.000 0.000 0.000) 0.000 11.363 ( 0.000 0.000 0.000) 0.000 11.385 ( 0.000 0.000 0.000) 0.000 11.402 ( 0.000 0.000 0.000) 0.000 11.536 ( 0.000 0.000 0.000) 0.000 11.855 ( 0.000 0.000 0.000) 0.000 12.502 ( 0.000 0.000 0.000) 0.000 12.545 ( 0.000 0.000 0.000) 0.000 12.905 ( 0.000 0.000 0.000) 0.000 13.113 ( 0.000 0.000 0.000) 0.000 13.608 ( 0.000 0.000 0.000) 0.000 13.840 ( 0.000 0.000 0.000) 0.000 13.899 ( 0.000 0.000 0.000) 0.000 13.975 ( 0.000 0.000 0.000) 0.000 14.198 ( 0.000 0.000 0.000) 0.000 14.428 ( 0.000 0.000 0.000) 0.000 14.721 ( 0.000 0.000 0.000) 0.000 14.847 ( 0.000 0.000 0.000) 0.000 15.777 ( 0.000 0.000 0.000) 0.000 15.951 ( 0.000 0.000 0.000) 0.000 15.994 ( 0.000 0.000 0.000) 0.000 16.522 ( 0.000 0.000 0.000) 0.000 16.564 ( 0.000 0.000 0.000) 0.000 16.612 ( 0.000 0.000 0.000) 0.000 16.973 ( 0.000 0.000 0.000) 0.000 19.878 ( 0.000 0.000 0.000) 0.000 20.272 ( 0.000 0.000 0.000) 0.000 20.729 ( 0.000 0.000 0.000) 0.000 21.450 ( 0.000 0.000 0.000) 0.000 21.660 ( 0.000 0.000 0.000) 0.000 21.841 ( 0.000 0.000 0.000) 0.000 22.654 ( 0.000 0.000 0.000) 0.000 22.672 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/125) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( 26.466 -30.959 0.000) 40.730 0.867 ( 18.709 -39.506 0.000) 43.712 1.403 ( 55.230 -41.484 0.000) 69.075 3.404 ( 23.005 -10.766 0.000) 25.399 4.367 ( 0.479 3.536 0.000) 3.568 5.676 ( -2.844 7.477 0.000) 7.999 5.877 ( 0.967 5.004 0.000) 5.096 6.085 ( -8.481 0.646 0.000) 8.506 7.072 ( -10.611 15.657 0.000) 18.914 7.279 ( 8.742 17.585 0.000) 19.638 7.733 ( 3.478 -7.943 0.000) 8.671 7.923 ( -24.946 -0.138 0.000) 24.946 8.374 ( -3.926 10.047 0.000) 10.787 8.410 ( 1.967 8.588 0.000) 8.810 8.902 ( 10.778 -2.838 0.000) 11.146 9.120 ( -9.943 -12.562 0.000) 16.021 9.625 ( 20.737 2.332 0.000) 20.868 9.733 ( -14.941 0.744 0.000) 14.959 10.188 ( -12.150 6.774 0.000) 13.911 10.419 ( -7.472 -2.622 0.000) 7.918 10.947 ( 14.350 -1.864 0.000) 14.471 11.082 ( -1.771 0.780 0.000) 1.935 11.144 ( -20.002 6.465 0.000) 21.021 11.433 ( -1.250 -4.413 0.000) 4.587 11.559 ( 11.905 -3.760 0.000) 12.485 11.659 ( 1.368 -5.307 0.000) 5.481 11.920 ( 5.807 -6.325 0.000) 8.586 12.419 ( 1.053 19.798 0.000) 19.826 12.625 ( -26.383 -6.729 0.000) 27.228 13.038 ( -3.106 -5.886 0.000) 6.655 13.344 ( -4.996 -17.839 0.000) 18.526 13.486 ( -2.969 24.873 0.000) 25.050 13.650 ( -15.718 -15.258 0.000) 21.906 14.138 ( -4.244 -7.167 0.000) 8.330 14.325 ( 5.454 -6.373 0.000) 8.388 14.440 ( 2.848 -3.577 0.000) 4.572 14.566 ( 4.834 21.139 0.000) 21.685 14.893 ( 0.096 -6.266 0.000) 6.266 15.775 ( 0.034 0.380 0.000) 0.381 15.870 ( 38.239 33.242 0.000) 50.668 15.890 ( -4.708 -0.099 0.000) 4.709 16.081 ( 6.494 -1.503 0.000) 6.665 16.389 ( -0.975 9.663 0.000) 9.712 16.697 ( 17.313 6.063 0.000) 18.344 16.788 ( 8.864 -7.363 0.000) 11.523 17.954 ( -23.863 -28.686 0.000) 37.314 19.915 ( 1.221 -3.725 0.000) 3.920 20.347 ( 7.365 -2.569 0.000) 7.800 20.766 ( 1.634 -3.015 0.000) 3.430 21.414 ( -1.457 3.359 0.000) 3.661 21.708 ( -10.125 -5.971 0.000) 11.754 22.534 ( 1.045 6.467 0.000) 6.551 22.770 ( 3.099 -7.511 0.000) 8.125 25.080 ( 22.099 24.098 0.000) 32.696 ======================= Grid point 2 (3/125) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( 24.351 -28.777 0.000) 37.697 1.710 ( 19.237 -36.489 0.000) 41.249 2.790 ( 54.824 -38.015 0.000) 66.715 3.924 ( 23.745 -7.157 0.000) 24.800 4.253 ( -3.114 10.573 0.000) 11.022 5.534 ( 0.794 5.590 0.000) 5.646 5.791 ( -0.220 7.755 0.000) 7.758 5.899 ( -13.810 1.361 0.000) 13.877 6.628 ( -10.727 16.288 0.000) 19.503 7.118 ( -0.398 12.263 0.000) 12.269 7.603 ( -23.167 -1.655 0.000) 23.226 7.891 ( 3.851 -6.059 0.000) 7.179 8.233 ( 3.699 5.576 0.000) 6.691 8.381 ( 1.865 0.742 0.000) 2.007 8.858 ( -10.129 13.472 0.000) 16.855 9.180 ( 8.780 -7.234 0.000) 11.377 9.348 ( -18.630 15.738 0.000) 24.388 9.903 ( 9.174 -4.766 0.000) 10.338 9.929 ( -17.182 1.876 0.000) 17.284 10.431 ( -2.270 -7.726 0.000) 8.053 10.607 ( -34.092 9.988 0.000) 35.525 11.127 ( 4.403 -4.276 0.000) 6.138 11.219 ( 11.869 -1.561 0.000) 11.971 11.510 ( 2.682 -6.827 0.000) 7.334 11.658 ( -4.773 -0.348 0.000) 4.786 11.726 ( 4.064 0.598 0.000) 4.108 12.061 ( -4.190 15.234 0.000) 15.799 12.179 ( 7.665 -11.437 0.000) 13.768 12.477 ( -0.003 4.845 0.000) 4.845 13.046 ( -5.529 -2.233 0.000) 5.962 13.092 ( -0.750 22.560 0.000) 22.573 13.444 ( -5.114 -6.193 0.000) 8.031 13.591 ( -26.968 -14.104 0.000) 30.433 14.161 ( 0.130 -0.787 0.000) 0.797 14.324 ( -3.622 1.383 0.000) 3.877 14.393 ( 17.888 19.160 0.000) 26.212 14.673 ( 6.669 -10.266 0.000) 12.242 15.025 ( 0.379 -10.415 0.000) 10.422 15.761 ( -0.665 1.029 0.000) 1.225 15.841 ( -2.850 -0.685 0.000) 2.931 15.929 ( 12.999 5.986 0.000) 14.311 16.202 ( 6.333 -2.337 0.000) 6.750 16.225 ( 0.210 11.999 0.000) 12.001 16.767 ( 3.518 3.832 0.000) 5.202 17.098 ( 19.952 -4.318 0.000) 20.414 18.102 ( -3.296 -15.364 0.000) 15.714 20.021 ( 2.330 -6.761 0.000) 7.151 20.538 ( 12.666 -3.365 0.000) 13.105 20.849 ( 1.816 -4.173 0.000) 4.551 21.312 ( -2.654 6.133 0.000) 6.683 21.628 ( -10.747 -2.914 0.000) 11.135 22.460 ( -1.688 2.771 0.000) 3.245 22.952 ( 3.189 -10.420 0.000) 10.897 25.004 ( 8.369 14.208 0.000) 16.489 ======================= Grid point 3 (4/125) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.392 ( 20.446 -25.207 0.000) 32.457 2.499 ( 17.814 -32.900 0.000) 37.413 3.900 ( 27.530 -4.478 0.000) 27.892 3.947 ( -8.687 18.126 0.000) 20.101 4.209 ( 21.422 -9.400 0.000) 23.393 5.522 ( -7.010 -6.184 0.000) 9.348 5.607 ( -8.233 7.678 0.000) 11.257 5.866 ( 13.362 -5.453 0.000) 14.431 6.440 ( 8.557 5.815 0.000) 10.346 6.906 ( -7.163 7.692 0.000) 10.511 7.300 ( -22.084 -0.323 0.000) 22.086 8.032 ( 6.531 -1.747 0.000) 6.760 8.287 ( 7.109 0.782 0.000) 7.152 8.288 ( -11.981 7.486 0.000) 14.128 8.607 ( 3.428 5.380 0.000) 6.379 8.835 ( -12.621 19.404 0.000) 23.148 9.416 ( 9.309 -5.443 0.000) 10.784 9.584 ( -28.486 1.047 0.000) 28.505 9.970 ( -31.894 8.843 0.000) 33.097 10.020 ( -2.230 -6.121 0.000) 6.514 10.515 ( 2.451 -1.766 0.000) 3.021 11.237 ( 3.115 11.379 0.000) 11.798 11.290 ( 4.442 -6.594 0.000) 7.951 11.524 ( -2.252 5.428 0.000) 5.876 11.576 ( -5.668 0.789 0.000) 5.723 11.834 ( -0.572 -12.522 0.000) 12.535 11.976 ( 9.221 2.260 0.000) 9.494 12.412 ( 3.248 -7.519 0.000) 8.191 12.451 ( 9.988 7.928 0.000) 12.752 12.831 ( 4.300 13.589 0.000) 14.253 12.943 ( -7.905 3.042 0.000) 8.470 13.344 ( -23.115 -6.164 0.000) 23.923 13.447 ( -6.447 -3.393 0.000) 7.286 14.168 ( 2.209 2.386 0.000) 3.252 14.239 ( -5.567 0.400 0.000) 5.581 14.453 ( 15.929 7.984 0.000) 17.818 14.876 ( 4.285 -6.198 0.000) 7.534 15.210 ( 1.335 -12.326 0.000) 12.398 15.729 ( -1.147 1.141 0.000) 1.617 15.826 ( -1.078 -0.736 0.000) 1.305 15.998 ( -0.189 9.546 0.000) 9.548 16.097 ( 9.495 1.297 0.000) 9.583 16.318 ( 4.676 -2.199 0.000) 5.167 16.703 ( -4.250 3.488 0.000) 5.499 17.418 ( 16.258 -2.860 0.000) 16.508 18.286 ( 2.482 -8.473 0.000) 8.829 20.173 ( 2.874 -7.870 0.000) 8.378 20.786 ( 15.536 -2.684 0.000) 15.766 20.928 ( 0.773 -3.490 0.000) 3.575 21.166 ( -3.118 7.248 0.000) 7.890 21.493 ( -12.797 -1.179 0.000) 12.851 22.404 ( -2.244 0.937 0.000) 2.432 23.157 ( 3.264 -9.886 0.000) 10.411 24.897 ( 2.954 10.006 0.000) 10.433 ======================= Grid point 4 (5/125) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.992 ( 14.980 -21.012 0.000) 25.805 3.177 ( 12.504 -26.701 0.000) 29.484 3.509 ( -11.347 19.685 0.000) 22.721 3.749 ( -3.907 20.551 0.000) 20.919 4.608 ( 5.007 -0.357 0.000) 5.019 5.415 ( -4.946 3.019 0.000) 5.795 5.804 ( 12.378 -20.543 0.000) 23.984 6.194 ( 16.219 -1.263 0.000) 16.268 6.604 ( 16.670 0.400 0.000) 16.674 6.689 ( -11.872 3.351 0.000) 12.336 6.998 ( -19.074 0.415 0.000) 19.079 8.020 ( -6.047 5.387 0.000) 8.099 8.061 ( 1.645 6.535 0.000) 6.739 8.213 ( -7.483 4.696 0.000) 8.834 8.639 ( 7.854 2.964 0.000) 8.395 8.644 ( 2.629 -0.220 0.000) 2.639 9.246 ( -14.726 -3.269 0.000) 15.085 9.499 ( -16.993 6.172 0.000) 18.079 9.571 ( 3.850 -1.910 0.000) 4.298 10.058 ( -2.043 -3.168 0.000) 3.770 10.551 ( 1.528 0.400 0.000) 1.580 11.091 ( 0.712 7.332 0.000) 7.366 11.410 ( 2.649 -2.967 0.000) 3.978 11.470 ( -0.890 0.152 0.000) 0.903 11.488 ( -4.352 1.149 0.000) 4.501 11.845 ( -1.258 1.376 0.000) 1.865 12.206 ( 3.754 -9.192 0.000) 9.929 12.475 ( 0.206 0.101 0.000) 0.229 12.523 ( 14.601 5.063 0.000) 15.454 12.748 ( -10.519 4.515 0.000) 11.446 12.806 ( 3.872 1.165 0.000) 4.044 13.162 ( -10.289 -2.665 0.000) 10.628 13.418 ( -2.359 -1.093 0.000) 2.600 14.132 ( -0.335 2.565 0.000) 2.586 14.198 ( -1.381 -0.939 0.000) 1.670 14.535 ( 5.643 2.245 0.000) 6.073 14.979 ( 1.496 -2.000 0.000) 2.498 15.414 ( 1.829 -9.730 0.000) 9.900 15.704 ( -0.499 0.491 0.000) 0.700 15.801 ( -1.797 9.777 0.000) 9.941 15.826 ( -0.279 -0.295 0.000) 0.406 16.281 ( 8.343 -3.934 0.000) 9.224 16.388 ( 1.725 -0.895 0.000) 1.943 16.562 ( -6.423 3.677 0.000) 7.401 17.611 ( 6.137 -1.062 0.000) 6.228 18.401 ( 1.433 -2.695 0.000) 3.052 20.308 ( 1.624 -4.269 0.000) 4.567 20.969 ( 1.036 -0.589 0.000) 1.192 21.036 ( -1.709 4.005 0.000) 4.354 21.040 ( 13.429 -2.430 0.000) 13.647 21.310 ( -13.134 0.394 0.000) 13.139 22.372 ( -1.012 0.177 0.000) 1.028 23.308 ( 1.512 -4.339 0.000) 4.595 24.809 ( 0.547 4.037 0.000) 4.074 ======================= Grid point 10 (6/125) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( 39.329 -0.000 0.000) 39.329 1.142 ( 40.171 -0.000 0.000) 40.171 2.208 ( 76.298 -0.000 0.000) 76.298 3.787 ( 39.499 -0.000 0.000) 39.499 4.421 ( 2.358 -0.000 0.000) 2.358 5.687 ( -5.026 0.000 0.000) 5.026 5.914 ( -16.037 0.000 0.000) 16.037 5.924 ( 0.301 -0.000 0.000) 0.301 7.055 ( -11.687 0.000 0.000) 11.687 7.439 ( -35.844 0.000 0.000) 35.844 7.522 ( -4.975 0.000 0.000) 4.975 7.680 ( 6.079 -0.000 0.000) 6.079 8.334 ( -8.669 0.000 0.000) 8.669 8.365 ( -11.665 0.000 0.000) 11.665 8.936 ( -7.824 0.000 0.000) 7.824 9.103 ( 18.411 -0.000 0.000) 18.411 9.540 ( -16.599 0.000 0.000) 16.599 10.003 ( 26.101 -0.000 0.000) 26.101 10.209 ( -17.496 0.000 0.000) 17.496 10.323 ( 2.220 -0.000 0.000) 2.220 10.685 ( -17.979 0.000 0.000) 17.979 10.825 ( -26.865 0.000 0.000) 26.865 11.020 ( -0.934 0.000 0.000) 0.934 11.395 ( 0.135 -0.000 0.000) 0.135 11.769 ( 14.419 -0.000 0.000) 14.419 11.780 ( 11.459 -0.000 0.000) 11.459 11.901 ( 2.318 -0.000 0.000) 2.318 12.357 ( -8.213 0.000 0.000) 8.213 12.592 ( -3.402 0.000 0.000) 3.402 12.984 ( 1.679 -0.000 0.000) 1.679 13.114 ( -0.601 0.000 0.000) 0.601 13.386 ( -12.195 0.000 0.000) 12.195 13.681 ( -6.413 0.000 0.000) 6.413 13.924 ( -2.702 0.000 0.000) 2.702 14.400 ( -2.536 0.000 0.000) 2.536 14.460 ( 12.958 -0.000 0.000) 12.958 14.828 ( -1.009 0.000 0.000) 1.009 14.870 ( 9.105 -0.000 0.000) 9.105 15.780 ( 0.152 -0.000 0.000) 0.152 15.816 ( -4.778 0.000 0.000) 4.778 16.181 ( 8.346 -0.000 0.000) 8.346 16.256 ( -8.125 0.000 0.000) 8.125 16.394 ( -7.185 0.000 0.000) 7.185 16.680 ( -3.900 0.000 0.000) 3.900 17.311 ( 10.281 -0.000 0.000) 10.281 17.404 ( 23.438 -0.000 0.000) 23.438 19.912 ( 2.341 -0.000 0.000) 2.341 20.501 ( 16.058 -0.000 0.000) 16.058 20.774 ( 3.005 -0.000 0.000) 3.005 21.410 ( -2.737 0.000 0.000) 2.737 21.669 ( 0.874 -0.000 0.000) 0.874 22.602 ( -4.215 0.000 0.000) 4.215 22.714 ( 4.276 -0.000 0.000) 4.276 25.378 ( -5.235 0.000 0.000) 5.235 ======================= Grid point 11 (7/125) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( 35.913 -24.579 0.000) 43.519 1.796 ( 36.185 -11.904 0.000) 38.093 3.355 ( 69.896 -12.964 0.000) 71.089 4.356 ( 37.966 4.892 0.000) 38.280 4.393 ( 1.229 8.652 0.000) 8.739 5.556 ( -9.742 4.362 0.000) 10.674 5.701 ( -10.561 -4.252 0.000) 11.384 5.861 ( -4.530 6.660 0.000) 8.054 6.694 ( -12.556 12.643 0.000) 17.819 7.134 ( -26.201 -11.874 0.000) 28.766 7.266 ( -10.901 13.023 0.000) 16.983 7.860 ( 7.319 -6.501 0.000) 9.790 8.229 ( -13.772 -6.561 0.000) 15.255 8.271 ( 0.605 -2.058 0.000) 2.145 8.748 ( -16.163 3.205 0.000) 16.478 9.231 ( -22.100 4.124 0.000) 22.482 9.369 ( 19.928 1.361 0.000) 19.974 9.911 ( -14.999 0.909 0.000) 15.027 9.983 ( -6.490 27.300 0.000) 28.061 10.164 ( -41.866 3.925 0.000) 42.050 10.389 ( 14.783 -5.750 0.000) 15.862 11.013 ( -3.085 -28.938 0.000) 29.102 11.115 ( 8.516 -4.249 0.000) 9.517 11.404 ( -1.234 -2.456 0.000) 2.749 11.761 ( 4.168 10.562 0.000) 11.354 11.863 ( 1.666 8.839 0.000) 8.994 12.110 ( 6.823 -11.443 0.000) 13.323 12.213 ( 0.454 5.920 0.000) 5.938 12.545 ( -2.612 -1.248 0.000) 2.895 12.930 ( -7.966 -1.819 0.000) 8.171 13.127 ( -12.869 -5.379 0.000) 13.947 13.310 ( -1.460 -3.523 0.000) 3.814 13.405 ( -1.574 19.678 0.000) 19.741 14.018 ( -3.739 -10.545 0.000) 11.189 14.327 ( -4.026 2.644 0.000) 4.816 14.677 ( 10.440 -4.964 0.000) 11.560 14.877 ( -0.904 -5.621 0.000) 5.694 14.888 ( 13.439 12.695 0.000) 18.487 15.753 ( -3.219 0.155 0.000) 3.222 15.787 ( -0.960 -0.829 0.000) 1.268 16.078 ( -0.484 5.264 0.000) 5.287 16.303 ( 8.908 0.285 0.000) 8.913 16.341 ( -3.640 1.527 0.000) 3.947 16.629 ( -11.873 -5.170 0.000) 12.950 17.396 ( 14.938 3.198 0.000) 15.277 17.877 ( 12.055 -15.290 0.000) 19.471 19.981 ( 3.277 -3.733 0.000) 4.967 20.767 ( 20.464 0.913 0.000) 20.484 20.844 ( 5.286 -2.217 0.000) 5.732 21.339 ( -3.635 3.295 0.000) 4.906 21.632 ( 0.955 6.618 0.000) 6.687 22.497 ( -2.122 4.642 0.000) 5.104 22.861 ( 5.106 -8.116 0.000) 9.589 25.212 ( -5.131 8.589 0.000) 10.005 ======================= Grid point 12 (8/125) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.399 ( 30.777 -22.975 0.000) 38.407 2.461 ( 29.975 -13.262 0.000) 32.778 4.162 ( -2.941 20.230 0.000) 20.443 4.394 ( 36.549 5.520 0.000) 36.963 4.546 ( 26.358 8.189 0.000) 27.601 5.344 ( -6.992 -2.986 0.000) 7.603 5.593 ( -11.134 9.313 0.000) 14.516 5.932 ( 17.225 -14.713 0.000) 22.653 6.564 ( 0.844 -3.220 0.000) 3.329 6.894 ( -15.650 9.679 0.000) 18.401 6.933 ( -19.227 -4.736 0.000) 19.801 8.043 ( 5.368 -4.844 0.000) 7.231 8.120 ( -17.413 -4.561 0.000) 18.000 8.399 ( 8.693 -1.848 0.000) 8.887 8.484 ( -14.262 -2.311 0.000) 14.448 8.848 ( -19.413 4.894 0.000) 20.020 9.334 ( -29.257 17.068 0.000) 33.872 9.603 ( 17.382 3.376 0.000) 17.707 9.654 ( -19.668 8.101 0.000) 21.271 9.752 ( -17.182 -9.639 0.000) 19.701 10.615 ( 10.235 -1.472 0.000) 10.340 11.289 ( -3.557 -9.499 0.000) 10.143 11.323 ( 11.471 -2.576 0.000) 11.757 11.457 ( -5.099 -4.275 0.000) 6.654 11.649 ( 2.550 9.704 0.000) 10.034 11.672 ( -2.662 0.102 0.000) 2.664 12.131 ( -0.966 8.814 0.000) 8.866 12.351 ( 5.164 -8.110 0.000) 9.614 12.562 ( -2.641 -5.681 0.000) 6.265 12.805 ( -14.948 -2.415 0.000) 15.142 13.056 ( -2.912 -2.999 0.000) 4.181 13.128 ( 3.207 17.477 0.000) 17.769 13.346 ( 0.928 -1.701 0.000) 1.938 14.091 ( -4.147 -6.179 0.000) 7.442 14.223 ( -4.307 2.383 0.000) 4.923 14.799 ( 5.539 12.045 0.000) 13.257 14.872 ( 6.509 -4.318 0.000) 7.811 15.074 ( 7.458 -9.050 0.000) 11.727 15.713 ( -2.627 -0.327 0.000) 2.647 15.786 ( -1.138 -1.114 0.000) 1.592 16.060 ( -1.502 1.186 0.000) 1.914 16.233 ( 0.788 5.535 0.000) 5.591 16.411 ( 8.006 1.561 0.000) 8.157 16.524 ( -15.070 -6.566 0.000) 16.438 17.551 ( 6.246 -1.865 0.000) 6.518 18.199 ( 7.453 -9.231 0.000) 11.864 20.110 ( 3.734 -6.460 0.000) 7.461 20.898 ( 3.086 -1.294 0.000) 3.347 21.103 ( 25.364 2.496 0.000) 25.487 21.215 ( -3.876 5.719 0.000) 6.909 21.504 ( -0.201 10.671 0.000) 10.673 22.426 ( 0.724 3.364 0.000) 3.441 23.077 ( 6.225 -9.254 0.000) 11.153 25.004 ( -6.890 7.486 0.000) 10.174 ======================= Grid point 13 (9/125) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.018 ( 22.742 -11.111 0.000) 25.312 3.101 ( 24.659 -17.544 0.000) 30.263 3.740 ( -5.680 25.986 0.000) 26.599 4.125 ( -1.468 30.565 0.000) 30.600 4.737 ( 4.460 8.790 0.000) 9.857 5.395 ( -3.229 1.935 0.000) 3.764 5.749 ( 19.476 -17.598 0.000) 26.249 6.296 ( 0.353 -0.688 0.000) 0.773 6.530 ( -21.301 -5.326 0.000) 21.957 6.646 ( 3.120 0.233 0.000) 3.129 6.919 ( 11.790 -4.334 0.000) 12.561 7.913 ( -14.073 -2.686 0.000) 14.327 8.119 ( -0.948 -1.953 0.000) 2.171 8.265 ( -8.406 18.991 0.000) 20.769 8.428 ( -12.658 -11.250 0.000) 16.934 8.601 ( -15.385 -2.886 0.000) 15.653 9.092 ( 5.874 -10.166 0.000) 11.741 9.374 ( -3.629 1.480 0.000) 3.919 9.669 ( -7.476 -5.265 0.000) 9.144 9.767 ( 0.691 -4.415 0.000) 4.469 10.736 ( 9.731 3.972 0.000) 10.510 11.192 ( -5.595 11.656 0.000) 12.929 11.371 ( -8.298 -7.505 0.000) 11.188 11.475 ( 6.908 0.737 0.000) 6.947 11.573 ( 7.200 7.684 0.000) 10.530 11.811 ( 0.366 -3.760 0.000) 3.777 12.024 ( -7.792 -10.312 0.000) 12.924 12.466 ( 1.076 -1.050 0.000) 1.504 12.557 ( -15.572 1.170 0.000) 15.616 12.637 ( -1.950 -3.248 0.000) 3.789 12.974 ( 4.514 11.333 0.000) 12.199 13.144 ( 6.265 -4.752 0.000) 7.863 13.407 ( 6.309 0.210 0.000) 6.312 14.070 ( -5.921 -1.791 0.000) 6.186 14.182 ( -0.972 -1.794 0.000) 2.040 14.676 ( 0.123 9.775 0.000) 9.775 14.982 ( 2.787 -1.528 0.000) 3.179 15.332 ( 8.086 -9.714 0.000) 12.639 15.690 ( -1.526 -0.677 0.000) 1.669 15.789 ( -1.488 -1.749 0.000) 2.297 15.881 ( -8.076 9.446 0.000) 12.428 16.273 ( -2.435 -3.628 0.000) 4.369 16.420 ( -8.900 -5.771 0.000) 10.607 16.470 ( 5.631 3.695 0.000) 6.735 17.593 ( -4.464 -1.571 0.000) 4.732 18.368 ( 2.705 -3.821 0.000) 4.681 20.260 ( 2.974 -6.106 0.000) 6.792 20.937 ( 0.357 -0.258 0.000) 0.440 21.076 ( -2.879 5.431 0.000) 6.147 21.316 ( -0.633 12.589 0.000) 12.604 21.416 ( 26.979 5.676 0.000) 27.569 22.412 ( 3.490 2.766 0.000) 4.454 23.283 ( 5.610 -5.651 0.000) 7.963 24.805 ( -8.972 3.421 0.000) 9.602 ======================= Grid point 14 (10/125) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.217 ( -6.490 27.868 0.000) 28.614 3.479 ( 16.412 -10.251 0.000) 19.351 3.479 ( -4.299 25.779 0.000) 26.135 3.668 ( 9.209 -2.782 0.000) 9.620 4.653 ( 0.896 11.428 0.000) 11.463 5.434 ( 4.378 -4.056 0.000) 5.968 5.896 ( -17.865 -2.380 0.000) 18.023 6.026 ( -4.960 18.018 0.000) 18.688 6.284 ( -19.821 -4.891 0.000) 20.416 6.837 ( 10.878 1.185 0.000) 10.943 7.218 ( 16.482 -5.329 0.000) 17.322 7.905 ( -4.476 -14.891 0.000) 15.549 7.974 ( -6.183 3.587 0.000) 7.148 8.241 ( 9.663 -8.856 0.000) 13.108 8.394 ( -13.998 -8.453 0.000) 16.352 8.426 ( -13.804 -2.924 0.000) 14.111 9.449 ( 20.389 -12.990 0.000) 24.175 9.627 ( -2.701 3.681 0.000) 4.565 9.643 ( 22.994 -11.397 0.000) 25.664 9.815 ( -9.999 -12.775 0.000) 16.223 10.766 ( 9.775 10.262 0.000) 14.173 10.971 ( -8.764 1.731 0.000) 8.933 11.371 ( -9.746 -7.743 0.000) 12.448 11.496 ( 4.247 4.983 0.000) 6.548 11.634 ( 11.977 4.855 0.000) 12.924 11.809 ( 0.452 -1.044 0.000) 1.138 12.143 ( -8.975 -14.140 0.000) 16.748 12.255 ( -13.207 7.693 0.000) 15.284 12.451 ( -1.796 0.272 0.000) 1.817 12.735 ( 1.841 -8.224 0.000) 8.428 12.850 ( -0.908 10.068 0.000) 10.109 13.352 ( 10.195 -6.649 0.000) 12.172 13.515 ( 12.418 2.864 0.000) 12.744 14.038 ( -4.431 -3.984 0.000) 5.959 14.216 ( 1.072 -2.425 0.000) 2.651 14.502 ( -4.895 8.896 0.000) 10.153 14.997 ( -0.081 1.873 0.000) 1.875 15.540 ( 3.547 4.052 0.000) 5.386 15.657 ( -6.202 -4.694 0.000) 7.778 15.693 ( -0.188 -1.328 0.000) 1.342 15.797 ( -1.601 -2.123 0.000) 2.659 16.133 ( -16.831 -0.541 0.000) 16.840 16.454 ( 2.555 6.069 0.000) 6.585 16.505 ( -0.182 -8.071 0.000) 8.073 17.474 ( -12.564 0.928 0.000) 12.598 18.401 ( -0.858 0.683 0.000) 1.096 20.335 ( 0.266 0.424 0.000) 0.501 20.893 ( -4.274 3.463 0.000) 5.500 21.011 ( -0.035 -0.671 0.000) 0.672 21.132 ( 0.931 10.750 0.000) 10.790 21.687 ( 27.260 9.409 0.000) 28.839 22.431 ( 4.638 2.540 0.000) 5.288 23.368 ( 2.331 2.635 0.000) 3.518 24.673 ( -9.746 -3.982 0.000) 10.528 ======================= Grid point 15 (11/125) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.630 ( -9.824 33.282 0.000) 34.702 2.746 ( -22.281 34.498 0.000) 41.067 3.863 ( 4.145 12.585 0.000) 13.250 3.876 ( 13.596 -12.039 0.000) 18.160 4.260 ( -8.254 25.442 0.000) 26.747 5.540 ( -22.246 4.840 0.000) 22.766 5.549 ( -2.495 -7.264 0.000) 7.681 5.890 ( 11.746 4.281 0.000) 12.502 6.231 ( -0.986 -10.157 0.000) 10.204 6.918 ( 4.848 -0.784 0.000) 4.911 7.517 ( 14.317 -6.113 0.000) 15.567 7.866 ( -11.550 -4.608 0.000) 12.436 8.191 ( -8.412 -26.319 0.000) 27.631 8.211 ( -7.367 3.245 0.000) 8.050 8.317 ( -2.247 -3.550 0.000) 4.201 8.759 ( 19.212 -20.814 0.000) 28.325 9.454 ( -4.588 11.150 0.000) 12.058 9.898 ( -8.990 -14.480 0.000) 17.044 9.978 ( 27.855 -2.403 0.000) 27.959 10.190 ( 24.924 -17.302 0.000) 30.341 10.711 ( 8.619 13.442 0.000) 15.968 10.933 ( -10.028 -13.468 0.000) 16.791 11.303 ( -16.652 -8.843 0.000) 18.855 11.405 ( 0.538 13.573 0.000) 13.583 11.737 ( 10.937 3.068 0.000) 11.359 11.862 ( 1.165 -2.250 0.000) 2.533 11.956 ( -8.186 7.397 0.000) 11.033 12.260 ( 1.439 -8.604 0.000) 8.724 12.458 ( -0.206 -1.389 0.000) 1.404 12.661 ( -5.817 4.565 0.000) 7.394 12.901 ( -0.383 -10.761 0.000) 10.768 13.552 ( 6.031 -1.551 0.000) 6.227 13.736 ( 22.888 -1.813 0.000) 22.960 14.051 ( -4.224 -5.306 0.000) 6.782 14.272 ( -6.799 10.114 0.000) 12.186 14.284 ( 2.930 -2.559 0.000) 3.890 14.927 ( -1.758 5.720 0.000) 5.984 15.336 ( -5.654 9.422 0.000) 10.988 15.722 ( 0.861 -1.627 0.000) 1.841 15.810 ( -1.249 -2.464 0.000) 2.762 15.830 ( -3.595 -9.194 0.000) 9.872 15.871 ( -16.945 -3.472 0.000) 17.297 16.363 ( -0.208 7.805 0.000) 7.808 16.584 ( -5.601 -7.171 0.000) 9.099 17.239 ( -13.934 4.084 0.000) 14.520 18.343 ( -1.577 3.760 0.000) 4.077 20.258 ( -1.564 7.215 0.000) 7.382 20.720 ( -6.151 8.033 0.000) 10.117 21.020 ( 1.436 7.560 0.000) 7.695 21.091 ( 1.819 -6.956 0.000) 7.190 21.894 ( 25.265 12.424 0.000) 28.155 22.457 ( 3.729 2.076 0.000) 4.267 23.272 ( -1.822 9.618 0.000) 9.789 24.646 ( -9.979 -10.024 0.000) 14.144 ======================= Grid point 16 (12/125) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( -26.972 35.046 0.000) 44.224 1.953 ( -8.961 38.046 0.000) 39.087 3.160 ( -6.734 58.806 0.000) 59.190 3.907 ( -8.565 19.443 0.000) 21.246 4.174 ( 5.700 -8.395 0.000) 10.147 5.377 ( -5.063 -10.258 0.000) 11.440 5.619 ( -4.467 -10.750 0.000) 11.642 6.050 ( 9.823 -0.734 0.000) 9.850 6.521 ( 9.203 -16.668 0.000) 19.040 7.008 ( 1.817 -3.100 0.000) 3.593 7.817 ( 13.634 -7.391 0.000) 15.509 7.859 ( -3.064 -10.327 0.000) 10.772 8.060 ( -7.782 2.256 0.000) 8.102 8.169 ( -14.816 -9.033 0.000) 17.352 8.681 ( 7.029 -21.918 0.000) 23.017 9.209 ( -5.406 9.920 0.000) 11.297 9.377 ( 21.837 -20.433 0.000) 29.906 9.924 ( -4.224 1.899 0.000) 4.631 10.227 ( 15.227 5.232 0.000) 16.101 10.630 ( 6.578 11.049 0.000) 12.859 10.721 ( -3.688 -13.852 0.000) 14.335 10.921 ( -3.125 -6.405 0.000) 7.127 11.136 ( -5.953 12.569 0.000) 13.907 11.356 ( -2.727 -17.499 0.000) 17.710 11.782 ( -3.896 6.644 0.000) 7.702 11.839 ( 9.669 3.065 0.000) 10.143 11.901 ( -0.081 -5.112 0.000) 5.113 12.275 ( -5.713 15.959 0.000) 16.950 12.523 ( 16.238 -9.877 0.000) 19.006 12.772 ( -0.252 -19.729 0.000) 19.731 13.008 ( -6.676 -9.109 0.000) 11.294 13.596 ( 3.820 4.326 0.000) 5.771 13.967 ( -12.891 0.003 0.000) 12.891 14.078 ( -2.856 -5.136 0.000) 5.876 14.237 ( 38.219 4.349 0.000) 38.466 14.362 ( 2.636 -2.074 0.000) 3.354 14.776 ( -2.198 10.550 0.000) 10.777 15.145 ( -2.787 7.999 0.000) 8.470 15.483 ( -36.204 -2.885 0.000) 36.319 15.754 ( 0.564 -0.993 0.000) 1.142 15.844 ( 0.182 -3.211 0.000) 3.216 16.043 ( 0.703 -11.814 0.000) 11.835 16.226 ( -1.672 8.104 0.000) 8.275 16.570 ( -7.416 -4.533 0.000) 8.691 16.998 ( -8.191 6.291 0.000) 10.328 18.273 ( 1.012 4.017 0.000) 4.142 20.114 ( -1.151 8.497 0.000) 8.575 20.518 ( -3.987 8.427 0.000) 9.323 20.920 ( -0.046 7.013 0.000) 7.014 21.232 ( 1.331 -7.940 0.000) 8.051 22.019 ( 19.832 13.473 0.000) 23.976 22.470 ( 1.359 0.990 0.000) 1.681 23.065 ( -3.942 11.234 0.000) 11.905 24.663 ( -10.245 -10.369 0.000) 14.577 ======================= Grid point 17 (13/125) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( 0.000 37.380 0.000) 37.380 1.272 ( 0.000 41.482 0.000) 41.482 2.132 ( 0.000 68.586 0.000) 68.586 3.492 ( 0.000 20.876 0.000) 20.876 4.304 ( -0.000 -5.058 0.000) 5.058 5.554 ( -0.000 -12.437 0.000) 12.437 5.753 ( -0.000 -9.823 0.000) 9.823 6.133 ( -0.000 -0.937 0.000) 0.937 6.883 ( -0.000 -19.677 0.000) 19.677 7.060 ( -0.000 -4.660 0.000) 4.660 7.852 ( 0.000 10.288 0.000) 10.288 8.083 ( -0.000 -5.138 0.000) 5.138 8.148 ( -0.000 -19.721 0.000) 19.721 8.161 ( -0.000 -11.829 0.000) 11.829 8.899 ( 0.000 3.464 0.000) 3.464 9.195 ( -0.000 -16.486 0.000) 16.486 9.664 ( 0.000 25.808 0.000) 25.808 9.827 ( -0.000 -9.949 0.000) 9.949 10.451 ( -0.000 -3.877 0.000) 3.877 10.459 ( -0.000 -1.873 0.000) 1.873 10.540 ( 0.000 7.439 0.000) 7.439 11.015 ( -0.000 -3.140 0.000) 3.140 11.157 ( -0.000 -10.112 0.000) 10.112 11.507 ( -0.000 -0.819 0.000) 0.819 11.613 ( 0.000 10.113 0.000) 10.113 11.903 ( 0.000 1.774 0.000) 1.774 11.921 ( 0.000 19.694 0.000) 19.694 12.099 ( -0.000 -19.802 0.000) 19.802 12.921 ( -0.000 -7.735 0.000) 7.735 12.989 ( -0.000 -6.444 0.000) 6.444 13.120 ( -0.000 -24.965 0.000) 24.965 13.540 ( 0.000 6.368 0.000) 6.368 13.816 ( 0.000 0.399 0.000) 0.399 14.129 ( -0.000 -4.210 0.000) 4.210 14.411 ( -0.000 -1.376 0.000) 1.376 14.551 ( 0.000 16.410 0.000) 16.410 14.830 ( -0.000 -6.037 0.000) 6.037 14.890 ( 0.000 7.917 0.000) 7.917 15.017 ( 0.000 5.456 0.000) 5.456 15.768 ( -0.000 -0.553 0.000) 0.553 15.901 ( -0.000 -3.165 0.000) 3.165 16.094 ( 0.000 6.558 0.000) 6.558 16.222 ( -0.000 -11.640 0.000) 11.640 16.567 ( -0.000 -2.839 0.000) 2.839 16.831 ( 0.000 7.588 0.000) 7.588 18.257 ( 0.000 1.169 0.000) 1.169 19.987 ( 0.000 6.807 0.000) 6.807 20.373 ( 0.000 6.493 0.000) 6.493 20.819 ( 0.000 5.687 0.000) 5.687 21.351 ( -0.000 -6.234 0.000) 6.234 22.005 ( 0.000 10.265 0.000) 10.265 22.470 ( -0.000 -0.547 0.000) 0.547 22.861 ( 0.000 10.326 0.000) 10.326 24.687 ( -0.000 -5.883 0.000) 5.883 ======================= Grid point 20 (14/125) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( 44.279 -0.000 0.000) 44.279 2.250 ( 38.023 -0.000 0.000) 38.023 4.231 ( 65.600 -0.000 0.000) 65.600 4.502 ( 3.128 -0.000 0.000) 3.128 5.020 ( 39.491 -0.000 0.000) 39.491 5.415 ( -10.194 0.000 0.000) 10.194 5.502 ( -7.463 0.000 0.000) 7.463 5.858 ( -5.917 0.000 0.000) 5.917 6.443 ( -33.277 0.000 0.000) 33.277 6.809 ( -3.784 0.000 0.000) 3.784 7.100 ( -24.733 0.000 0.000) 24.733 7.934 ( -18.004 0.000 0.000) 18.004 7.963 ( 12.686 -0.000 0.000) 12.686 8.286 ( 6.151 -0.000 0.000) 6.151 8.538 ( -17.989 0.000 0.000) 17.989 8.899 ( -27.310 0.000 0.000) 27.310 9.564 ( -44.633 0.000 0.000) 44.633 9.591 ( -23.987 0.000 0.000) 23.987 9.683 ( 20.732 -0.000 0.000) 20.732 10.361 ( -0.571 0.000 0.000) 0.571 10.536 ( -5.662 0.000 0.000) 5.662 10.552 ( 11.298 -0.000 0.000) 11.298 11.280 ( 16.602 -0.000 0.000) 16.602 11.345 ( -4.570 0.000 0.000) 4.570 11.932 ( -0.820 0.000 0.000) 0.820 12.027 ( 1.690 -0.000 0.000) 1.690 12.103 ( 12.956 -0.000 0.000) 12.956 12.125 ( -7.978 0.000 0.000) 7.978 12.514 ( -1.481 0.000 0.000) 1.481 12.630 ( -21.769 0.000 0.000) 21.769 13.025 ( -5.797 0.000 0.000) 5.797 13.337 ( 6.520 -0.000 0.000) 6.520 13.560 ( -2.140 0.000 0.000) 2.140 13.866 ( -1.265 0.000 0.000) 1.265 14.263 ( -7.125 0.000 0.000) 7.125 14.792 ( 9.752 -0.000 0.000) 9.752 14.833 ( 2.155 -0.000 0.000) 2.155 15.157 ( 10.025 -0.000 0.000) 10.025 15.697 ( -3.640 0.000 0.000) 3.640 15.778 ( -0.526 0.000 0.000) 0.526 16.110 ( -3.566 0.000 0.000) 3.566 16.165 ( -9.025 0.000 0.000) 9.025 16.440 ( 9.681 -0.000 0.000) 9.681 16.479 ( -10.057 0.000 0.000) 10.057 17.520 ( 3.323 -0.000 0.000) 3.323 18.019 ( 18.043 -0.000 0.000) 18.043 20.003 ( 3.909 -0.000 0.000) 3.909 20.883 ( 4.506 -0.000 0.000) 4.506 21.146 ( 28.703 -0.000 0.000) 28.703 21.309 ( -4.132 0.000 0.000) 4.132 21.716 ( 1.761 -0.000 0.000) 1.761 22.516 ( 0.160 -0.000 0.000) 0.160 22.889 ( 7.774 -0.000 0.000) 7.774 25.146 ( -11.421 0.000 0.000) 11.421 ======================= Grid point 21 (15/125) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.664 ( 38.995 -9.314 0.000) 40.092 2.797 ( 33.840 -3.613 0.000) 34.033 4.429 ( 1.222 14.912 0.000) 14.962 4.939 ( 8.919 15.579 0.000) 17.952 5.112 ( 21.054 16.896 0.000) 26.995 5.293 ( 16.597 -7.423 0.000) 18.181 5.592 ( -11.763 12.451 0.000) 17.129 5.964 ( 28.016 -18.140 0.000) 33.376 6.199 ( -22.703 -16.662 0.000) 28.161 6.702 ( -23.938 1.813 0.000) 24.006 6.801 ( 0.847 -2.343 0.000) 2.491 7.734 ( -19.213 -6.659 0.000) 20.334 8.103 ( 6.405 2.490 0.000) 6.872 8.270 ( -15.963 0.757 0.000) 15.981 8.448 ( -2.970 -4.580 0.000) 5.459 8.549 ( -10.924 -4.459 0.000) 11.799 8.966 ( -34.001 2.399 0.000) 34.086 9.305 ( -24.091 -8.251 0.000) 25.465 9.884 ( -3.181 31.101 0.000) 31.263 9.936 ( 19.129 5.237 0.000) 19.833 10.706 ( 7.752 -3.035 0.000) 8.325 10.884 ( -7.078 -27.828 0.000) 28.714 11.312 ( -5.453 -7.791 0.000) 9.509 11.496 ( 12.545 0.484 0.000) 12.555 11.728 ( -9.832 16.396 0.000) 19.118 11.839 ( 0.939 7.450 0.000) 7.509 12.163 ( -10.731 2.084 0.000) 10.931 12.340 ( -7.258 -6.919 0.000) 10.027 12.360 ( 13.154 -4.627 0.000) 13.944 12.543 ( -10.796 -5.485 0.000) 12.110 12.982 ( -1.420 -3.619 0.000) 3.888 13.408 ( 1.259 14.168 0.000) 14.224 13.438 ( 9.031 0.995 0.000) 9.086 13.933 ( -2.680 -7.715 0.000) 8.168 14.151 ( -7.712 0.080 0.000) 7.712 14.888 ( 2.267 0.129 0.000) 2.270 14.923 ( 6.578 -1.522 0.000) 6.752 15.224 ( 8.795 5.081 0.000) 10.158 15.658 ( -2.974 -0.943 0.000) 3.120 15.766 ( -1.112 -0.046 0.000) 1.113 16.026 ( -4.992 0.322 0.000) 5.003 16.126 ( -12.503 -8.008 0.000) 14.847 16.309 ( -7.990 2.097 0.000) 8.260 16.560 ( 8.825 1.760 0.000) 8.999 17.548 ( -1.105 -1.103 0.000) 1.562 18.256 ( 11.403 -2.385 0.000) 11.650 20.088 ( 4.054 -3.617 0.000) 5.432 20.946 ( 4.490 0.430 0.000) 4.510 21.226 ( -4.025 3.095 0.000) 5.077 21.555 ( 30.799 2.960 0.000) 30.941 21.666 ( 0.516 7.462 0.000) 7.480 22.526 ( 5.782 3.898 0.000) 6.973 23.059 ( 8.273 -6.658 0.000) 10.619 24.934 ( -14.074 3.355 0.000) 14.468 ======================= Grid point 22 (16/125) ======================= q-point: ( 0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.272 ( 26.412 -2.515 0.000) 26.532 3.314 ( 32.514 -9.397 0.000) 33.844 4.098 ( -1.563 26.860 0.000) 26.905 4.502 ( -10.638 29.330 0.000) 31.200 5.020 ( 9.531 13.122 0.000) 16.218 5.371 ( -4.038 0.961 0.000) 4.151 5.749 ( 1.293 -4.611 0.000) 4.789 6.095 ( -21.145 -9.509 0.000) 23.185 6.281 ( 2.588 0.637 0.000) 2.666 6.750 ( 19.999 -9.934 0.000) 22.330 6.962 ( 7.016 -11.444 0.000) 13.423 7.546 ( -20.722 -6.400 0.000) 21.687 8.042 ( -6.903 -0.433 0.000) 6.916 8.151 ( -7.471 -6.655 0.000) 10.005 8.246 ( -18.151 -4.781 0.000) 18.770 8.501 ( -2.012 17.674 0.000) 17.788 8.906 ( 3.492 -20.077 0.000) 20.378 9.165 ( -22.093 -16.508 0.000) 27.580 9.551 ( 10.091 11.492 0.000) 15.293 10.030 ( 11.424 11.612 0.000) 16.289 10.865 ( 7.922 -2.910 0.000) 8.440 11.012 ( -17.178 -13.445 0.000) 21.814 11.315 ( -6.802 15.617 0.000) 17.034 11.520 ( -7.865 -24.132 0.000) 25.381 11.588 ( 4.803 2.982 0.000) 5.653 11.807 ( 7.305 3.631 0.000) 8.158 11.942 ( -4.461 7.512 0.000) 8.737 12.310 ( -15.804 -4.608 0.000) 16.462 12.507 ( -4.654 -7.333 0.000) 8.685 12.541 ( 9.653 3.521 0.000) 10.275 13.104 ( 5.119 -7.881 0.000) 9.397 13.221 ( 2.154 13.839 0.000) 14.006 13.573 ( 12.403 1.030 0.000) 12.446 13.959 ( -4.974 -2.359 0.000) 5.505 14.091 ( -4.372 -4.892 0.000) 6.560 14.824 ( 0.121 9.825 0.000) 9.825 15.010 ( 3.259 -0.545 0.000) 3.305 15.331 ( 5.495 -5.299 0.000) 7.634 15.642 ( -2.065 -1.788 0.000) 2.732 15.752 ( -1.443 -0.587 0.000) 1.558 15.855 ( -11.805 5.742 0.000) 13.128 16.029 ( -16.116 -6.030 0.000) 17.207 16.286 ( -0.427 -4.979 0.000) 4.997 16.624 ( 6.558 4.451 0.000) 7.926 17.501 ( -5.920 1.010 0.000) 6.006 18.396 ( 5.535 -0.385 0.000) 5.548 20.215 ( 3.358 -5.627 0.000) 6.552 20.985 ( 3.539 2.458 0.000) 4.309 21.112 ( -3.122 4.816 0.000) 5.739 21.496 ( -1.615 11.233 0.000) 11.348 21.946 ( 32.199 6.415 0.000) 32.832 22.553 ( 7.725 5.472 0.000) 9.467 23.286 ( 7.742 -6.953 0.000) 10.406 24.669 ( -16.234 2.624 0.000) 16.444 ======================= Grid point 23 (17/125) ======================= q-point: (-0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.612 ( 5.246 23.004 0.000) 23.594 3.645 ( 12.341 5.511 0.000) 13.515 3.790 ( -8.727 27.457 0.000) 28.811 3.876 ( 19.798 2.220 0.000) 19.922 4.963 ( 9.045 16.428 0.000) 18.754 5.362 ( -6.711 -5.134 0.000) 8.450 5.551 ( -23.725 -1.354 0.000) 23.764 5.991 ( -5.900 -6.720 0.000) 8.942 6.257 ( 2.936 11.604 0.000) 11.969 7.020 ( 8.612 3.408 0.000) 9.262 7.285 ( 8.729 -14.107 0.000) 16.589 7.415 ( -19.957 -16.720 0.000) 26.036 8.027 ( -7.171 15.746 0.000) 17.302 8.150 ( 0.168 -13.279 0.000) 13.281 8.193 ( -1.312 -5.317 0.000) 5.477 8.244 ( -1.810 -3.449 0.000) 3.895 9.196 ( -16.653 -24.218 0.000) 29.391 9.383 ( 14.557 -27.753 0.000) 31.339 9.824 ( 23.546 -7.375 0.000) 24.674 9.913 ( 2.465 15.880 0.000) 16.070 10.833 ( -18.922 -1.245 0.000) 18.962 10.985 ( 7.430 2.470 0.000) 7.830 11.102 ( -9.081 -0.592 0.000) 9.100 11.607 ( 3.967 1.406 0.000) 4.209 11.768 ( -6.533 -18.787 0.000) 19.890 11.834 ( -1.043 1.320 0.000) 1.683 11.894 ( 10.004 2.662 0.000) 10.352 12.145 ( -10.431 -1.204 0.000) 10.500 12.517 ( 3.248 10.640 0.000) 11.125 12.578 ( -3.464 -9.012 0.000) 9.655 13.030 ( -0.573 13.727 0.000) 13.739 13.332 ( 7.216 -9.765 0.000) 12.142 13.755 ( 15.926 1.243 0.000) 15.974 13.919 ( -4.710 -2.745 0.000) 5.452 14.148 ( -0.856 -6.512 0.000) 6.568 14.639 ( -1.347 12.341 0.000) 12.415 15.030 ( 0.832 1.618 0.000) 1.819 15.464 ( -7.143 -7.400 0.000) 10.285 15.624 ( -3.627 3.787 0.000) 5.244 15.655 ( -0.775 -2.647 0.000) 2.758 15.745 ( -1.524 -1.312 0.000) 2.011 15.844 ( -17.284 -0.757 0.000) 17.300 16.367 ( -2.056 -6.674 0.000) 6.983 16.607 ( 3.681 7.364 0.000) 8.232 17.360 ( -7.853 4.134 0.000) 8.874 18.429 ( 1.699 2.391 0.000) 2.933 20.325 ( 1.522 -3.350 0.000) 3.680 20.954 ( 1.098 6.572 0.000) 6.663 21.017 ( -1.246 2.680 0.000) 2.955 21.307 ( -0.649 10.650 0.000) 10.670 22.260 ( 29.832 10.466 0.000) 31.615 22.571 ( 6.197 5.452 0.000) 8.254 23.438 ( 4.230 -0.249 0.000) 4.237 24.433 ( -16.042 -2.995 0.000) 16.319 ======================= Grid point 24 (18/125) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.988 ( -17.290 38.428 0.000) 42.139 3.072 ( -2.852 35.630 0.000) 35.744 3.945 ( 13.131 -5.371 0.000) 14.187 4.261 ( 25.883 7.772 0.000) 27.025 4.675 ( 1.196 30.579 0.000) 30.603 5.194 ( -27.700 -0.740 0.000) 27.710 5.310 ( -11.551 -8.713 0.000) 14.469 6.147 ( 7.120 8.582 0.000) 11.151 6.148 ( 7.778 -8.432 0.000) 11.472 7.034 ( 6.599 4.613 0.000) 8.051 7.482 ( -4.687 -17.798 0.000) 18.405 7.614 ( -4.362 -21.412 0.000) 21.852 7.673 ( -13.039 6.161 0.000) 14.422 8.150 ( -4.022 -0.795 0.000) 4.100 8.272 ( 2.767 -4.981 0.000) 5.698 8.683 ( 14.788 -23.505 0.000) 27.769 9.415 ( -7.006 -25.418 0.000) 26.366 9.659 ( -2.582 16.079 0.000) 16.285 10.040 ( 5.038 -29.238 0.000) 29.669 10.251 ( 22.046 -8.992 0.000) 23.810 10.707 ( -2.205 -5.227 0.000) 5.673 10.946 ( -17.215 -2.568 0.000) 17.405 10.982 ( 4.451 8.743 0.000) 9.810 11.627 ( 3.381 6.303 0.000) 7.152 11.808 ( -5.008 -4.015 0.000) 6.419 11.919 ( 0.605 -3.347 0.000) 3.401 11.956 ( 7.813 7.868 0.000) 11.088 12.137 ( 0.123 -11.029 0.000) 11.029 12.399 ( -1.273 1.415 0.000) 1.903 12.672 ( -4.664 -10.448 0.000) 11.442 12.789 ( -2.138 15.351 0.000) 15.499 13.555 ( 4.261 -7.459 0.000) 8.590 13.919 ( -3.074 -4.628 0.000) 5.555 13.969 ( 14.149 1.534 0.000) 14.232 14.244 ( 0.705 -5.829 0.000) 5.872 14.471 ( 4.804 8.769 0.000) 9.999 14.989 ( -0.266 4.198 0.000) 4.207 15.304 ( -11.539 2.683 0.000) 11.847 15.527 ( -19.360 2.352 0.000) 19.503 15.700 ( 0.714 -3.221 0.000) 3.299 15.740 ( 2.713 -6.062 0.000) 6.642 15.747 ( -1.629 -1.934 0.000) 2.529 16.416 ( -3.519 -5.377 0.000) 6.426 16.510 ( 1.164 9.646 0.000) 9.716 17.182 ( -5.482 6.140 0.000) 8.231 18.388 ( -0.012 4.042 0.000) 4.042 20.332 ( -0.223 3.658 0.000) 3.665 20.818 ( -1.017 10.573 0.000) 10.621 21.021 ( 0.393 -3.881 0.000) 3.900 21.165 ( 0.655 8.732 0.000) 8.757 22.446 ( 21.198 13.679 0.000) 25.228 22.560 ( 3.098 4.719 0.000) 5.645 23.385 ( -1.915 8.547 0.000) 8.759 24.348 ( -9.767 -9.970 0.000) 13.957 ======================= Grid point 25 (19/125) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.243 ( 0.000 40.540 0.000) 40.540 2.484 ( 0.000 38.609 0.000) 38.609 4.021 ( 0.000 53.163 0.000) 53.163 4.123 ( -0.000 -5.871 0.000) 5.871 4.197 ( 0.000 23.518 0.000) 23.518 5.115 ( -0.000 -15.090 0.000) 15.090 5.389 ( -0.000 -12.640 0.000) 12.640 6.136 ( 0.000 2.451 0.000) 2.451 6.370 ( -0.000 -12.453 0.000) 12.453 7.045 ( 0.000 2.979 0.000) 2.979 7.600 ( -0.000 -11.128 0.000) 11.128 7.775 ( -0.000 -19.508 0.000) 19.508 7.806 ( -0.000 -12.556 0.000) 12.556 8.091 ( 0.000 4.477 0.000) 4.477 8.444 ( -0.000 -14.743 0.000) 14.743 9.200 ( -0.000 -26.168 0.000) 26.168 9.375 ( 0.000 16.083 0.000) 16.083 9.735 ( -0.000 -19.701 0.000) 19.701 10.261 ( -0.000 -10.049 0.000) 10.049 10.638 ( 0.000 8.367 0.000) 8.367 10.822 ( -0.000 -13.596 0.000) 13.596 10.861 ( 0.000 11.400 0.000) 11.400 10.939 ( -0.000 -27.262 0.000) 27.262 11.405 ( 0.000 23.652 0.000) 23.652 11.792 ( 0.000 0.836 0.000) 0.836 11.912 ( 0.000 2.678 0.000) 2.678 11.927 ( 0.000 1.577 0.000) 1.577 12.434 ( -0.000 -20.531 0.000) 20.531 12.507 ( -0.000 -13.876 0.000) 13.876 12.513 ( 0.000 18.273 0.000) 18.273 12.761 ( -0.000 -8.480 0.000) 8.480 13.651 ( -0.000 -1.151 0.000) 1.151 13.973 ( 0.000 7.268 0.000) 7.268 13.974 ( -0.000 -5.485 0.000) 5.485 14.329 ( -0.000 -4.309 0.000) 4.309 14.597 ( -0.000 -6.278 0.000) 6.278 14.900 ( 0.000 7.310 0.000) 7.310 15.101 ( 0.000 5.986 0.000) 5.986 15.267 ( 0.000 9.004 0.000) 9.004 15.746 ( -0.000 -0.875 0.000) 0.875 15.778 ( -0.000 -4.640 0.000) 4.640 15.887 ( -0.000 -9.902 0.000) 9.902 16.363 ( 0.000 10.356 0.000) 10.356 16.456 ( -0.000 -4.249 0.000) 4.249 17.042 ( 0.000 6.680 0.000) 6.680 18.327 ( 0.000 3.574 0.000) 3.574 20.234 ( 0.000 8.044 0.000) 8.044 20.642 ( 0.000 10.809 0.000) 10.809 21.042 ( 0.000 8.459 0.000) 8.459 21.119 ( -0.000 -7.793 0.000) 7.793 22.397 ( 0.000 14.482 0.000) 14.482 22.516 ( 0.000 3.458 0.000) 3.458 23.201 ( 0.000 11.364 0.000) 11.364 24.436 ( -0.000 -10.347 0.000) 10.347 ======================= Grid point 30 (20/125) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.145 ( 37.287 -0.000 0.000) 37.287 3.245 ( 31.422 -0.000 0.000) 31.422 4.583 ( 2.511 -0.000 0.000) 2.511 5.035 ( -3.778 0.000 0.000) 3.778 5.295 ( -7.325 0.000 0.000) 7.325 5.622 ( -24.168 0.000 0.000) 24.168 5.656 ( -5.783 0.000 0.000) 5.783 5.678 ( 22.815 -0.000 0.000) 22.815 6.331 ( 37.588 -0.000 0.000) 37.588 6.385 ( -10.983 0.000 0.000) 10.983 6.743 ( -6.665 0.000 0.000) 6.665 7.482 ( -9.034 0.000 0.000) 9.034 8.041 ( -15.564 0.000 0.000) 15.564 8.070 ( -22.297 0.000 0.000) 22.297 8.325 ( -19.214 0.000 0.000) 19.214 8.357 ( 7.913 -0.000 0.000) 7.913 8.789 ( 7.992 -0.000 0.000) 7.992 8.895 ( -23.751 0.000 0.000) 23.751 10.235 ( -8.341 0.000 0.000) 8.341 10.259 ( 18.834 -0.000 0.000) 18.834 10.408 ( -3.562 0.000 0.000) 3.562 10.762 ( 4.568 -0.000 0.000) 4.568 11.087 ( -15.777 0.000 0.000) 15.777 11.657 ( 9.171 -0.000 0.000) 9.171 11.773 ( -13.627 0.000 0.000) 13.627 11.839 ( -5.549 0.000 0.000) 5.549 11.919 ( -6.702 0.000 0.000) 6.702 12.287 ( -17.757 0.000 0.000) 17.757 12.291 ( -0.482 0.000 0.000) 0.482 12.594 ( 20.602 -0.000 0.000) 20.602 12.969 ( 4.154 -0.000 0.000) 4.154 13.545 ( 0.621 -0.000 0.000) 0.621 13.588 ( 11.612 -0.000 0.000) 11.612 13.815 ( -3.532 0.000 0.000) 3.532 14.037 ( -7.685 0.000 0.000) 7.685 14.956 ( 6.167 -0.000 0.000) 6.167 14.996 ( 4.888 -0.000 0.000) 4.888 15.317 ( -2.789 0.000 0.000) 2.789 15.612 ( -2.390 0.000 0.000) 2.390 15.746 ( -1.587 0.000 0.000) 1.587 15.874 ( -11.815 0.000 0.000) 11.815 15.932 ( -9.708 0.000 0.000) 9.708 16.228 ( -4.030 0.000 0.000) 4.030 16.694 ( 7.753 -0.000 0.000) 7.753 17.521 ( -1.931 0.000 0.000) 1.931 18.390 ( 8.802 -0.000 0.000) 8.802 20.116 ( 3.776 -0.000 0.000) 3.776 21.025 ( 5.693 -0.000 0.000) 5.693 21.196 ( -3.571 0.000 0.000) 3.571 21.687 ( -4.318 0.000 0.000) 4.318 22.040 ( 33.153 -0.000 0.000) 33.153 22.687 ( 10.824 -0.000 0.000) 10.824 23.116 ( 7.567 -0.000 0.000) 7.567 24.728 ( -18.118 0.000 0.000) 18.118 ======================= Grid point 31 (21/125) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.631 ( 23.549 1.192 0.000) 23.579 3.677 ( 32.449 -4.714 0.000) 32.789 4.458 ( 0.938 19.658 0.000) 19.681 4.761 ( -9.780 25.324 0.000) 27.147 5.220 ( 0.208 -0.175 0.000) 0.272 5.284 ( -11.825 1.742 0.000) 11.953 5.611 ( -17.212 3.070 0.000) 17.484 5.732 ( -4.944 -11.205 0.000) 12.247 6.475 ( 16.554 5.184 0.000) 17.346 6.679 ( -15.235 -13.911 0.000) 20.631 6.865 ( 18.081 -10.879 0.000) 21.102 7.387 ( -1.538 5.644 0.000) 5.850 7.862 ( -9.852 -7.170 0.000) 12.185 7.949 ( -4.934 -10.151 0.000) 11.286 8.020 ( -9.894 2.486 0.000) 10.201 8.618 ( 5.828 -13.718 0.000) 14.904 8.646 ( -21.636 -9.207 0.000) 23.514 8.879 ( 9.728 14.304 0.000) 17.298 9.897 ( 7.755 14.748 0.000) 16.663 10.383 ( 11.229 13.113 0.000) 17.264 10.562 ( -15.092 -13.458 0.000) 20.221 10.884 ( 5.579 -7.077 0.000) 9.012 10.968 ( -19.321 -18.912 0.000) 27.036 11.497 ( -0.927 12.016 0.000) 12.052 11.687 ( 0.057 4.242 0.000) 4.242 11.836 ( 1.677 -4.624 0.000) 4.919 11.933 ( -5.478 -3.347 0.000) 6.419 11.988 ( -19.417 -2.784 0.000) 19.615 12.357 ( 0.139 -5.108 0.000) 5.110 12.830 ( 16.883 6.202 0.000) 17.986 13.085 ( 6.057 -5.083 0.000) 7.907 13.432 ( -0.232 12.214 0.000) 12.216 13.778 ( 15.995 0.357 0.000) 15.999 13.838 ( -4.082 -6.718 0.000) 7.861 13.952 ( -5.438 -2.450 0.000) 5.964 14.968 ( -0.783 8.617 0.000) 8.652 15.050 ( 2.678 0.104 0.000) 2.681 15.231 ( -8.740 -6.411 0.000) 10.839 15.592 ( -1.611 -1.184 0.000) 1.999 15.699 ( -14.085 0.295 0.000) 14.088 15.725 ( -1.518 -0.230 0.000) 1.535 15.833 ( -4.463 -0.046 0.000) 4.463 16.219 ( -0.601 -2.599 0.000) 2.668 16.767 ( 5.359 2.851 0.000) 6.071 17.473 ( -2.691 2.558 0.000) 3.713 18.483 ( 5.072 0.954 0.000) 5.161 20.190 ( 2.823 -3.312 0.000) 4.352 21.092 ( 5.852 2.408 0.000) 6.328 21.130 ( -2.547 2.753 0.000) 3.751 21.570 ( -5.511 5.214 0.000) 7.587 22.473 ( 31.144 3.457 0.000) 31.336 22.778 ( 9.450 7.048 0.000) 11.789 23.278 ( 6.363 -7.324 0.000) 9.702 24.442 ( -20.000 1.566 0.000) 20.061 ======================= Grid point 32 (22/125) ======================= q-point: (-0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.879 ( 14.084 0.949 0.000) 14.116 4.078 ( 0.627 29.560 0.000) 29.566 4.106 ( -5.727 29.347 0.000) 29.900 4.212 ( 22.258 -1.293 0.000) 22.295 5.134 ( -12.394 -2.633 0.000) 12.671 5.212 ( -11.336 -0.237 0.000) 11.339 5.286 ( -5.908 12.259 0.000) 13.608 5.913 ( 8.495 -9.254 0.000) 12.562 6.475 ( 4.064 11.584 0.000) 12.277 6.727 ( -18.346 -23.706 0.000) 29.976 7.106 ( 2.591 -3.742 0.000) 4.551 7.328 ( 1.870 -0.328 0.000) 1.898 7.966 ( 1.317 -9.149 0.000) 9.243 8.033 ( -0.892 -10.463 0.000) 10.501 8.138 ( 6.380 -7.511 0.000) 9.855 8.441 ( -0.207 32.299 0.000) 32.300 8.592 ( -16.929 -22.743 0.000) 28.352 9.089 ( 5.849 -27.924 0.000) 28.529 10.079 ( 20.127 -1.185 0.000) 20.162 10.223 ( 2.805 19.081 0.000) 19.287 10.498 ( -9.610 -9.898 0.000) 13.795 10.909 ( -20.111 -7.767 0.000) 21.559 11.061 ( 4.920 -3.948 0.000) 6.309 11.513 ( 4.576 -7.830 0.000) 9.069 11.647 ( -0.033 0.042 0.000) 0.054 11.748 ( -11.422 -1.719 0.000) 11.551 11.940 ( 2.447 -4.592 0.000) 5.204 11.978 ( -3.853 -5.819 0.000) 6.979 12.432 ( -0.690 -5.373 0.000) 5.417 12.840 ( 8.244 16.314 0.000) 18.279 13.223 ( -1.209 13.495 0.000) 13.549 13.271 ( 4.287 -9.017 0.000) 9.985 13.829 ( -3.508 -1.631 0.000) 3.869 14.011 ( -1.145 -9.158 0.000) 9.230 14.021 ( 19.197 1.334 0.000) 19.243 14.714 ( -13.359 6.902 0.000) 15.036 15.065 ( 0.853 1.250 0.000) 1.514 15.276 ( -0.965 -4.991 0.000) 5.084 15.497 ( -12.859 0.411 0.000) 12.866 15.603 ( -0.677 -2.473 0.000) 2.564 15.714 ( -0.898 -0.647 0.000) 1.107 15.770 ( -1.171 3.105 0.000) 3.318 16.266 ( -0.677 -4.177 0.000) 4.231 16.756 ( 2.477 5.997 0.000) 6.488 17.370 ( -2.464 5.820 0.000) 6.320 18.502 ( 1.940 2.975 0.000) 3.551 20.283 ( 1.302 -4.619 0.000) 4.799 21.051 ( -1.116 3.802 0.000) 3.963 21.095 ( 3.480 6.862 0.000) 7.694 21.410 ( -3.298 6.665 0.000) 7.436 22.748 ( 7.574 7.615 0.000) 10.740 22.790 ( 19.915 8.524 0.000) 21.663 23.457 ( 3.430 -4.996 0.000) 6.060 24.161 ( -16.332 -1.125 0.000) 16.371 ======================= Grid point 33 (23/125) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.458 ( 0.000 39.272 0.000) 39.272 3.584 ( 0.000 33.812 0.000) 33.812 4.008 ( -0.000 -1.248 0.000) 1.248 4.650 ( -0.000 -13.600 0.000) 13.600 4.826 ( 0.000 16.943 0.000) 16.943 5.087 ( -0.000 -6.120 0.000) 6.120 5.119 ( 0.000 16.877 0.000) 16.877 6.117 ( -0.000 -6.257 0.000) 6.257 6.329 ( 0.000 10.254 0.000) 10.254 6.971 ( -0.000 -28.624 0.000) 28.624 7.141 ( 0.000 1.220 0.000) 1.220 7.436 ( -0.000 -9.886 0.000) 9.886 7.821 ( 0.000 25.725 0.000) 25.725 8.076 ( -0.000 -5.297 0.000) 5.297 8.241 ( -0.000 -2.277 0.000) 2.277 8.438 ( -0.000 -20.780 0.000) 20.780 8.907 ( -0.000 -31.210 0.000) 31.210 9.603 ( -0.000 -31.940 0.000) 31.940 9.936 ( 0.000 20.172 0.000) 20.172 10.276 ( -0.000 -7.796 0.000) 7.796 10.634 ( -0.000 -5.494 0.000) 5.494 10.779 ( -0.000 -2.081 0.000) 2.081 11.103 ( 0.000 2.989 0.000) 2.989 11.669 ( -0.000 -1.449 0.000) 1.449 11.672 ( -0.000 -7.018 0.000) 7.018 11.783 ( -0.000 -13.301 0.000) 13.301 12.019 ( -0.000 -3.655 0.000) 3.655 12.032 ( -0.000 -4.082 0.000) 4.082 12.514 ( -0.000 -6.925 0.000) 6.925 12.596 ( 0.000 20.875 0.000) 20.875 13.002 ( 0.000 14.436 0.000) 14.436 13.451 ( -0.000 -10.041 0.000) 10.041 13.838 ( -0.000 -3.061 0.000) 3.061 14.140 ( -0.000 -8.243 0.000) 8.243 14.162 ( 0.000 4.802 0.000) 4.802 14.526 ( 0.000 0.692 0.000) 0.692 15.040 ( 0.000 2.672 0.000) 2.672 15.267 ( 0.000 5.172 0.000) 5.172 15.404 ( -0.000 -2.599 0.000) 2.599 15.646 ( -0.000 -3.695 0.000) 3.695 15.719 ( -0.000 -0.848 0.000) 0.848 15.725 ( 0.000 1.210 0.000) 1.210 16.323 ( -0.000 -4.365 0.000) 4.365 16.661 ( 0.000 8.576 0.000) 8.576 17.249 ( 0.000 7.068 0.000) 7.068 18.456 ( 0.000 4.397 0.000) 4.397 20.346 ( -0.000 -1.880 0.000) 1.880 20.979 ( 0.000 10.579 0.000) 10.579 21.001 ( 0.000 1.225 0.000) 1.225 21.288 ( 0.000 7.185 0.000) 7.185 22.672 ( 0.000 6.834 0.000) 6.834 22.810 ( 0.000 11.891 0.000) 11.891 23.474 ( 0.000 4.669 0.000) 4.669 24.117 ( -0.000 -8.850 0.000) 8.850 ======================= Grid point 40 (24/125) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.908 ( 13.115 -0.000 0.000) 13.115 4.050 ( 24.198 -0.000 0.000) 24.198 4.648 ( 1.959 -0.000 0.000) 1.959 4.953 ( -5.409 0.000 0.000) 5.409 5.022 ( -10.743 0.000 0.000) 10.743 5.124 ( -10.158 0.000 0.000) 10.158 5.455 ( -7.582 0.000 0.000) 7.582 5.663 ( 6.787 -0.000 0.000) 6.787 6.307 ( -18.205 0.000 0.000) 18.205 6.733 ( 9.156 -0.000 0.000) 9.156 6.929 ( 3.009 -0.000 0.000) 3.009 7.538 ( 7.553 -0.000 0.000) 7.553 7.729 ( -5.853 0.000 0.000) 5.853 7.730 ( 1.767 -0.000 0.000) 1.767 7.944 ( -4.035 0.000 0.000) 4.035 8.321 ( -14.748 0.000 0.000) 14.748 8.565 ( 4.323 -0.000 0.000) 4.323 9.248 ( 14.363 -0.000 0.000) 14.363 10.054 ( -0.009 0.000 0.000) 0.009 10.349 ( -0.306 0.000 0.000) 0.306 10.488 ( -20.892 0.000 0.000) 20.892 10.684 ( 9.587 -0.000 0.000) 9.587 10.830 ( 0.800 -0.000 0.000) 0.800 11.621 ( -0.242 0.000 0.000) 0.242 11.658 ( -13.958 0.000 0.000) 13.958 11.665 ( -5.115 0.000 0.000) 5.115 11.819 ( -6.011 0.000 0.000) 6.011 11.845 ( 4.034 -0.000 0.000) 4.034 12.351 ( 2.136 -0.000 0.000) 2.136 13.100 ( 12.158 -0.000 0.000) 12.158 13.118 ( 3.920 -0.000 0.000) 3.920 13.568 ( 0.624 -0.000 0.000) 0.624 13.675 ( -4.193 0.000 0.000) 4.193 13.867 ( -4.370 0.000 0.000) 4.370 14.041 ( 20.438 -0.000 0.000) 20.438 14.842 ( -25.133 0.000 0.000) 25.133 15.081 ( 1.397 -0.000 0.000) 1.397 15.160 ( 7.850 -0.000 0.000) 7.850 15.525 ( -11.456 0.000 0.000) 11.456 15.565 ( -0.857 0.000 0.000) 0.857 15.704 ( -1.003 0.000 0.000) 1.003 15.815 ( -0.032 0.000 0.000) 0.032 16.196 ( 0.017 -0.000 0.000) 0.017 16.849 ( 2.893 -0.000 0.000) 2.893 17.472 ( -1.027 0.000 0.000) 1.027 18.548 ( 2.697 -0.000 0.000) 2.697 20.196 ( 1.580 -0.000 0.000) 1.580 21.123 ( -1.394 0.000 0.000) 1.394 21.201 ( 5.984 -0.000 0.000) 5.984 21.519 ( -6.134 0.000 0.000) 6.134 22.901 ( 24.191 -0.000 0.000) 24.191 22.965 ( 6.304 -0.000 0.000) 6.304 23.270 ( 2.548 -0.000 0.000) 2.548 24.176 ( -17.850 0.000 0.000) 17.850 ======================= Grid point 41 (25/125) ======================= q-point: (-0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.996 ( 0.000 0.573 0.000) 0.573 4.301 ( -0.000 -7.222 0.000) 7.222 4.483 ( 0.000 21.503 0.000) 21.503 4.540 ( 0.000 30.154 0.000) 30.154 5.035 ( 0.000 1.349 0.000) 1.349 5.081 ( -0.000 -3.235 0.000) 3.235 5.379 ( 0.000 3.656 0.000) 3.656 5.844 ( -0.000 -11.156 0.000) 11.156 6.264 ( -0.000 -14.872 0.000) 14.872 6.688 ( 0.000 11.000 0.000) 11.000 7.020 ( -0.000 -7.945 0.000) 7.945 7.410 ( 0.000 10.181 0.000) 10.181 7.834 ( -0.000 -9.730 0.000) 9.730 7.926 ( -0.000 -1.507 0.000) 1.507 8.006 ( -0.000 -26.480 0.000) 26.480 8.208 ( -0.000 -0.391 0.000) 0.391 8.755 ( -0.000 -19.478 0.000) 19.478 9.004 ( 0.000 36.162 0.000) 36.162 10.239 ( 0.000 3.759 0.000) 3.759 10.348 ( -0.000 -24.005 0.000) 24.005 10.441 ( -0.000 -7.497 0.000) 7.497 10.534 ( 0.000 18.347 0.000) 18.347 10.993 ( -0.000 -9.997 0.000) 9.997 11.546 ( -0.000 -0.859 0.000) 0.859 11.592 ( 0.000 1.401 0.000) 1.401 11.629 ( -0.000 -0.561 0.000) 0.561 11.854 ( -0.000 -7.065 0.000) 7.065 11.898 ( -0.000 -2.932 0.000) 2.932 12.381 ( -0.000 -1.916 0.000) 1.916 13.116 ( 0.000 9.866 0.000) 9.866 13.189 ( -0.000 -5.445 0.000) 5.445 13.412 ( 0.000 12.935 0.000) 12.935 13.758 ( -0.000 -5.574 0.000) 5.574 13.870 ( -0.000 -6.305 0.000) 6.305 14.256 ( 0.000 1.503 0.000) 1.503 14.568 ( 0.000 1.246 0.000) 1.246 15.086 ( 0.000 0.643 0.000) 0.643 15.266 ( -0.000 -3.536 0.000) 3.536 15.398 ( 0.000 2.800 0.000) 2.800 15.569 ( -0.000 -1.315 0.000) 1.315 15.700 ( -0.000 -0.358 0.000) 0.358 15.803 ( 0.000 1.719 0.000) 1.719 16.214 ( -0.000 -2.265 0.000) 2.265 16.845 ( 0.000 3.238 0.000) 3.238 17.434 ( 0.000 3.986 0.000) 3.986 18.554 ( 0.000 1.700 0.000) 1.700 20.232 ( -0.000 -3.112 0.000) 3.112 21.093 ( 0.000 2.550 0.000) 2.550 21.219 ( 0.000 4.442 0.000) 4.442 21.444 ( 0.000 2.787 0.000) 2.787 22.922 ( 0.000 8.897 0.000) 8.897 23.066 ( 0.000 4.534 0.000) 4.534 23.373 ( -0.000 -8.797 0.000) 8.797 24.019 ( 0.000 0.704 0.000) 0.704 ======================= Grid point 81 (26/125) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( 0.000 0.000 40.602) 40.602 0.848 ( 0.000 0.000 41.738) 41.738 1.608 ( 0.000 0.000 77.225) 77.225 3.303 ( 0.000 0.000 15.685) 15.685 4.651 ( 0.000 0.000 24.464) 24.464 5.582 ( 0.000 0.000 -17.263) 17.263 5.879 ( 0.000 0.000 -23.288) 23.288 6.067 ( 0.000 0.000 13.391) 13.391 7.197 ( 0.000 0.000 -1.123) 1.123 7.280 ( 0.000 0.000 0.771) 0.771 7.616 ( 0.000 0.000 0.396) 0.396 8.399 ( 0.000 0.000 19.256) 19.256 8.477 ( 0.000 0.000 7.539) 7.539 8.756 ( 0.000 0.000 -2.154) 2.154 8.760 ( 0.000 0.000 -13.959) 13.959 8.839 ( 0.000 0.000 15.397) 15.397 9.498 ( 0.000 0.000 -23.262) 23.262 9.547 ( 0.000 0.000 1.465) 1.465 9.993 ( 0.000 0.000 -23.610) 23.610 10.244 ( 0.000 0.000 -1.907) 1.907 10.797 ( 0.000 0.000 5.248) 5.248 11.159 ( 0.000 0.000 -16.929) 16.929 11.279 ( 0.000 0.000 -8.025) 8.025 11.388 ( 0.000 0.000 17.452) 17.452 11.585 ( 0.000 0.000 17.218) 17.218 11.653 ( 0.000 0.000 6.459) 6.459 12.496 ( 0.000 0.000 0.328) 0.328 12.505 ( 0.000 0.000 -3.549) 3.549 12.876 ( 0.000 0.000 -7.666) 7.666 12.920 ( 0.000 0.000 1.364) 1.364 13.252 ( 0.000 0.000 7.208) 7.208 13.593 ( 0.000 0.000 -1.561) 1.561 13.849 ( 0.000 0.000 -4.467) 4.467 13.958 ( 0.000 0.000 -1.632) 1.632 14.256 ( 0.000 0.000 5.183) 5.183 14.273 ( 0.000 0.000 -12.158) 12.158 14.549 ( 0.000 0.000 -16.704) 16.704 14.787 ( 0.000 0.000 3.723) 3.723 15.323 ( 0.000 0.000 13.890) 13.890 15.737 ( 0.000 0.000 -3.633) 3.633 15.994 ( 0.000 0.000 4.071) 4.071 16.263 ( 0.000 0.000 5.482) 5.482 16.519 ( 0.000 0.000 -0.120) 0.120 16.598 ( 0.000 0.000 2.979) 2.979 16.609 ( 0.000 0.000 -0.431) 0.431 16.954 ( 0.000 0.000 -1.893) 1.893 20.250 ( 0.000 0.000 -2.076) 2.076 20.773 ( 0.000 0.000 4.196) 4.196 21.048 ( 0.000 0.000 -23.309) 23.309 21.798 ( 0.000 0.000 -4.073) 4.073 21.960 ( 0.000 0.000 13.473) 13.473 22.631 ( 0.000 0.000 -2.181) 2.181 22.823 ( 0.000 0.000 14.735) 14.735 24.763 ( 0.000 0.000 -3.821) 3.821 ======================= Grid point 82 (27/125) ======================= q-point: ( 0.11 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( 15.545 -23.114 25.685) 37.890 1.214 ( 18.921 -24.128 28.236) 41.683 2.185 ( 33.404 -28.445 58.421) 73.062 3.542 ( 20.615 -9.624 13.001) 26.203 4.645 ( 0.661 2.798 24.947) 25.112 5.468 ( -6.189 6.228 -17.922) 19.958 5.817 ( -7.704 0.964 -21.043) 22.430 6.050 ( 1.684 3.327 12.839) 13.370 7.061 ( -8.839 15.956 -1.961) 18.346 7.216 ( 7.444 8.501 -2.730) 11.625 7.712 ( 1.348 -9.163 -0.808) 9.297 8.097 ( -26.861 2.725 13.140) 30.027 8.310 ( -9.559 7.618 4.533) 13.037 8.604 ( 2.473 13.049 10.116) 16.695 8.900 ( 12.204 -2.929 -0.285) 12.553 9.080 ( -6.792 -13.056 -3.249) 15.072 9.403 ( 1.471 3.370 -20.230) 20.562 9.621 ( 11.994 4.794 -7.454) 14.913 10.010 ( -6.560 2.456 -11.242) 13.245 10.350 ( -0.513 -3.673 -8.358) 9.144 10.839 ( 11.597 -6.287 -1.664) 13.296 11.087 ( -10.848 3.148 -6.120) 12.847 11.300 ( -8.576 -4.894 3.838) 10.594 11.427 ( 4.243 -1.278 6.589) 7.941 11.533 ( -4.604 -2.834 7.049) 8.883 11.738 ( 1.272 -5.777 4.369) 7.354 12.220 ( -1.335 10.737 12.985) 16.902 12.401 ( 1.319 17.293 -1.795) 17.436 12.598 ( -23.816 -2.887 -1.944) 24.069 13.017 ( 0.626 -4.962 -2.003) 5.388 13.330 ( -3.182 -8.373 0.764) 8.989 13.467 ( -6.270 13.960 -2.355) 15.483 13.694 ( -14.044 -3.163 2.375) 14.590 14.104 ( 8.082 -1.152 -7.475) 11.069 14.199 ( 5.351 2.399 -3.915) 7.051 14.270 ( -0.424 -1.832 -7.948) 8.168 14.737 ( 3.474 0.375 1.100) 3.663 14.887 ( 3.250 -6.671 -1.725) 7.619 15.517 ( 13.670 0.981 -6.775) 15.288 15.770 ( 1.927 -2.560 -2.290) 3.938 16.091 ( 13.658 3.125 4.874) 14.835 16.174 ( -0.247 6.791 9.242) 11.471 16.411 ( -0.351 8.485 2.131) 8.755 16.612 ( 7.603 -3.267 -5.529) 9.952 16.790 ( 6.513 -7.347 0.550) 9.834 17.288 ( 7.858 -23.228 -20.230) 31.789 20.310 ( 7.489 -0.004 -2.438) 7.876 20.774 ( -8.293 17.549 9.642) 21.673 20.809 ( -0.051 1.570 1.813) 2.399 21.420 ( -30.946 -12.020 13.929) 36.002 21.903 ( 0.654 5.285 13.413) 14.431 22.610 ( 1.000 4.768 5.094) 7.048 22.799 ( 2.521 -2.735 6.092) 7.138 24.894 ( 15.527 9.053 -12.039) 21.633 ======================= Grid point 83 (28/125) ======================= q-point: ( 0.22 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( 22.601 -31.340 12.821) 40.710 1.925 ( 21.439 -29.566 18.271) 40.837 3.179 ( 42.312 -29.288 34.727) 62.081 4.008 ( 20.258 -6.812 8.647) 23.056 4.542 ( -2.519 10.427 25.616) 27.772 5.315 ( -2.005 3.217 -17.975) 18.370 5.649 ( -8.598 3.081 -14.855) 17.439 6.023 ( 1.062 3.797 13.258) 13.832 6.678 ( -7.603 14.740 0.720) 16.601 7.151 ( 0.515 9.381 4.437) 10.390 7.643 ( -20.599 1.702 0.293) 20.671 7.882 ( -3.981 -3.917 2.607) 6.163 8.129 ( 0.983 3.246 -4.357) 5.522 8.463 ( -6.556 4.294 2.665) 8.278 8.883 ( -7.785 12.274 2.319) 14.719 9.113 ( 9.596 -1.048 -2.571) 9.989 9.385 ( -6.711 4.244 0.208) 7.943 9.669 ( -3.272 5.694 -17.197) 18.408 9.866 ( -3.190 -5.162 -5.367) 8.101 10.399 ( -1.627 -8.460 -2.978) 9.115 10.699 ( -27.026 8.426 4.807) 28.714 11.178 ( 6.474 -7.991 1.639) 10.414 11.271 ( 7.011 3.755 5.106) 9.451 11.468 ( -1.063 -7.251 -2.530) 7.752 11.578 ( -0.384 -1.659 -3.494) 3.887 11.781 ( -2.823 -2.123 2.634) 4.406 12.071 ( -4.423 14.010 1.053) 14.729 12.251 ( 5.672 -3.594 5.485) 8.670 12.447 ( -0.537 3.716 -2.439) 4.477 13.037 ( -3.597 -0.191 -1.487) 3.897 13.080 ( -2.537 20.933 -1.344) 21.129 13.398 ( -8.867 -6.453 -5.599) 12.313 13.529 ( -22.665 -7.182 -2.400) 23.897 14.134 ( 3.756 2.759 -3.461) 5.805 14.225 ( 4.168 1.736 -6.192) 7.663 14.335 ( 9.099 6.395 -4.208) 11.891 14.855 ( 5.545 -8.005 8.875) 13.175 15.020 ( 0.213 -9.062 0.607) 9.084 15.597 ( 3.281 0.508 -8.835) 9.438 15.819 ( 0.093 -1.257 -0.751) 1.467 16.105 ( 2.975 3.153 9.928) 10.834 16.200 ( 5.549 5.838 2.016) 8.304 16.291 ( 1.996 5.295 4.332) 7.127 16.739 ( 3.871 0.277 -2.511) 4.622 17.074 ( 17.286 -7.263 -2.052) 18.862 17.705 ( 8.616 -15.989 -24.023) 30.116 20.339 ( 1.992 8.684 7.609) 11.716 20.574 ( 5.818 -2.476 6.645) 9.173 20.856 ( -0.207 -2.624 0.762) 2.741 21.321 ( -14.047 -11.648 5.966) 19.198 21.805 ( -2.161 6.225 14.420) 15.854 22.544 ( -0.889 3.611 8.035) 8.854 22.939 ( 2.799 -9.356 -0.688) 9.790 24.895 ( 7.322 10.618 -9.672) 16.121 ======================= Grid point 84 (29/125) ======================= q-point: ( 0.33 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.537 ( 20.444 -26.661 11.883) 35.636 2.660 ( 17.904 -30.046 15.336) 38.190 3.967 ( 13.330 3.220 7.568) 15.663 4.241 ( -2.551 16.254 20.177) 26.035 4.352 ( 22.351 -11.781 19.362) 31.831 5.247 ( -8.429 -3.163 -15.251) 17.711 5.714 ( 17.101 -4.074 -5.042) 18.289 5.904 ( -7.993 2.407 9.634) 12.747 6.540 ( 8.792 3.745 5.103) 10.833 6.939 ( -8.041 7.970 5.562) 12.614 7.368 ( -20.029 -0.055 3.626) 20.354 7.891 ( 5.030 0.493 -9.946) 11.157 8.092 ( -6.945 6.365 -11.829) 15.122 8.347 ( -1.191 -1.282 2.498) 3.050 8.646 ( -2.985 11.424 3.209) 12.236 8.929 ( -7.389 13.794 5.438) 16.566 9.381 ( -4.058 3.823 -4.477) 7.150 9.458 ( -7.362 -4.743 -6.879) 11.137 9.940 ( -11.292 -6.800 1.514) 13.268 10.205 ( -17.100 4.787 9.807) 20.286 10.508 ( -0.042 -3.658 -0.848) 3.755 11.187 ( -0.185 8.841 -6.726) 11.110 11.299 ( 0.586 -2.825 3.593) 4.608 11.519 ( 0.288 5.792 -2.075) 6.159 11.617 ( -2.212 -2.182 5.511) 6.326 11.851 ( 2.760 -13.599 -0.048) 13.877 11.964 ( 5.422 4.100 -1.765) 7.024 12.357 ( 3.854 -0.179 -3.861) 5.459 12.440 ( 6.106 3.407 -1.380) 7.127 12.804 ( 2.149 13.494 -2.517) 13.894 12.926 ( -7.427 4.139 -1.924) 8.718 13.230 ( -19.799 -3.456 -11.495) 23.153 13.413 ( -7.568 -3.697 -0.197) 8.425 14.147 ( 3.166 2.449 -1.849) 4.409 14.218 ( -5.501 -1.883 -2.207) 6.219 14.394 ( 13.980 7.038 -5.625) 16.631 15.042 ( 3.534 -5.701 12.595) 14.270 15.190 ( 2.158 -12.025 -1.881) 12.361 15.633 ( 1.557 -0.527 -6.515) 6.719 15.817 ( -1.086 0.525 -0.897) 1.503 16.039 ( -0.967 11.066 3.337) 11.598 16.179 ( 6.849 -0.649 6.007) 9.133 16.339 ( 3.472 -1.359 2.381) 4.424 16.726 ( -3.054 1.508 2.164) 4.035 17.410 ( 15.905 -4.311 -1.071) 16.514 18.008 ( 7.282 -8.989 -21.109) 24.071 20.265 ( 0.816 2.763 3.143) 4.264 20.773 ( 11.738 -2.433 -0.435) 11.995 20.874 ( -0.095 -1.897 -1.209) 2.251 21.316 ( -11.389 -10.196 6.866) 16.757 21.663 ( -2.498 7.527 19.244) 20.814 22.483 ( -1.999 1.647 7.432) 7.870 23.131 ( 3.029 -9.556 -2.383) 10.304 24.813 ( 2.715 8.691 -7.934) 12.077 ======================= Grid point 85 (30/125) ======================= q-point: ( 0.44 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.150 ( 15.616 -20.322 12.040) 28.316 3.299 ( 10.692 -24.162 12.683) 29.308 3.733 ( -10.128 14.524 14.634) 22.971 3.876 ( -4.229 22.024 17.902) 28.695 4.701 ( 4.374 -0.636 9.047) 10.069 5.279 ( -0.882 -0.688 -10.219) 10.280 5.901 ( 6.560 -13.673 7.598) 16.962 6.108 ( 17.204 -2.058 -6.536) 18.518 6.647 ( -0.486 0.547 -0.485) 0.878 6.797 ( 5.278 2.080 10.900) 12.288 7.062 ( -19.072 1.176 2.497) 19.270 7.813 ( -5.960 7.196 -13.797) 16.663 8.017 ( 4.644 0.653 -6.291) 7.847 8.194 ( -8.884 7.013 0.797) 11.347 8.554 ( 4.463 -0.761 -0.691) 4.580 8.776 ( -2.988 6.023 7.222) 9.867 9.215 ( -3.285 -9.085 -4.124) 10.504 9.487 ( -6.405 8.775 1.070) 10.917 9.689 ( -8.620 -0.191 7.884) 11.683 10.177 ( -0.431 -4.234 10.003) 10.871 10.532 ( 0.096 -0.241 -1.767) 1.786 11.039 ( -0.271 6.517 -5.804) 8.731 11.366 ( 0.615 -3.731 -0.502) 3.814 11.438 ( -1.167 3.651 -1.060) 3.976 11.613 ( -1.098 -1.314 8.133) 8.311 11.883 ( -0.892 1.922 1.762) 2.756 12.174 ( 3.559 -9.371 -3.322) 10.560 12.394 ( 2.113 1.172 -7.266) 7.657 12.485 ( 12.777 4.509 -3.851) 14.086 12.686 ( -9.999 3.719 -6.105) 12.292 12.773 ( 0.455 2.826 -2.505) 3.804 13.064 ( -8.372 -1.876 -9.414) 12.737 13.375 ( -2.731 -1.118 -1.735) 3.423 14.135 ( 0.842 2.380 -0.005) 2.525 14.184 ( -2.319 -1.586 -1.326) 3.107 14.467 ( 5.171 2.043 -6.574) 8.610 15.122 ( 0.628 -1.694 10.436) 10.591 15.417 ( 3.401 -10.464 0.815) 11.033 15.641 ( -0.258 1.526 -4.767) 5.012 15.752 ( -1.626 5.127 -1.979) 5.731 15.899 ( -0.610 3.486 4.295) 5.565 16.313 ( 5.571 -2.795 1.973) 6.537 16.390 ( 1.306 -0.600 1.045) 1.777 16.634 ( -4.135 2.233 6.387) 7.930 17.615 ( 6.126 -1.503 -0.085) 6.309 18.170 ( 2.789 -2.901 -19.054) 19.474 20.258 ( 0.562 0.294 -3.949) 4.000 20.821 ( -0.626 0.371 -2.469) 2.574 21.051 ( 14.690 -1.865 -0.238) 14.810 21.254 ( -14.707 -4.497 0.517) 15.388 21.549 ( 0.008 3.887 29.838) 30.090 22.445 ( -0.993 0.436 6.618) 6.706 23.275 ( 1.426 -4.243 -2.936) 5.353 24.736 ( 0.522 3.649 -7.073) 7.975 ======================= Grid point 91 (31/125) ======================= q-point: ( 0.11 0.11 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( 25.016 -0.000 29.849) 38.946 1.377 ( 33.791 -0.000 20.865) 39.713 2.725 ( 59.855 -0.000 45.033) 74.904 3.876 ( 33.879 -0.000 8.996) 35.053 4.710 ( 4.816 -0.000 25.504) 25.955 5.439 ( -5.147 0.000 -20.418) 21.057 5.660 ( -14.209 0.000 -21.307) 25.610 6.094 ( 0.872 -0.000 14.037) 14.064 7.046 ( -11.734 0.000 -3.198) 12.162 7.378 ( 0.593 -0.000 -6.783) 6.809 7.531 ( -24.663 0.000 5.151) 25.195 7.764 ( -6.055 0.000 8.385) 10.343 8.197 ( -11.005 0.000 -1.448) 11.100 8.627 ( -12.924 0.000 15.515) 20.192 8.844 ( -12.130 0.000 -8.863) 15.023 9.123 ( 18.947 -0.000 1.992) 19.052 9.396 ( -3.092 0.000 -13.305) 13.660 9.901 ( 17.539 -0.000 -7.440) 19.052 10.087 ( -10.942 0.000 -14.912) 18.496 10.290 ( 3.190 -0.000 -0.707) 3.268 10.701 ( -6.128 0.000 -1.605) 6.335 10.922 ( -32.209 0.000 13.055) 34.754 11.060 ( -0.615 0.000 -4.495) 4.536 11.471 ( 2.301 -0.000 10.217) 10.473 11.562 ( 9.849 -0.000 -6.898) 12.024 11.785 ( 7.592 -0.000 0.491) 7.608 12.178 ( -11.277 0.000 11.224) 15.911 12.351 ( -8.174 0.000 -0.196) 8.177 12.554 ( -0.195 0.000 -3.554) 3.559 12.973 ( 0.145 -0.000 -1.132) 1.142 13.166 ( -4.803 0.000 4.189) 6.373 13.362 ( -12.281 0.000 -2.285) 12.492 13.724 ( -8.085 0.000 3.156) 8.679 13.879 ( -4.114 0.000 -4.190) 5.873 14.316 ( 0.629 -0.000 -7.150) 7.177 14.455 ( 17.464 -0.000 -1.612) 17.538 14.829 ( -0.115 0.000 -3.042) 3.044 14.887 ( 6.930 -0.000 1.048) 7.009 15.638 ( 2.529 -0.000 -12.635) 12.886 15.762 ( 1.453 -0.000 -1.532) 2.112 16.188 ( 1.423 -0.000 3.007) 3.327 16.291 ( -7.780 0.000 2.941) 8.317 16.393 ( 3.121 -0.000 2.307) 3.881 16.692 ( -3.794 0.000 1.239) 3.991 16.885 ( 24.518 -0.000 -18.130) 30.493 17.372 ( 23.011 -0.000 -3.226) 23.236 20.475 ( 15.434 -0.000 -2.078) 15.573 20.686 ( -27.004 0.000 42.277) 50.166 20.811 ( 2.632 -0.000 3.204) 4.147 21.051 ( 0.242 -0.000 -20.764) 20.766 21.946 ( -0.515 0.000 13.238) 13.248 22.687 ( 3.980 -0.000 -2.538) 4.720 22.753 ( -4.414 0.000 14.760) 15.406 25.125 ( 3.533 -0.000 -18.748) 19.078 ======================= Grid point 92 (32/125) ======================= q-point: ( 0.22 0.11 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( 31.768 -21.223 16.703) 41.697 1.982 ( 34.346 -12.533 16.013) 39.914 3.667 ( 60.116 -9.369 29.098) 67.442 4.327 ( 24.790 2.939 4.160) 25.308 4.745 ( 9.865 11.102 24.493) 28.644 5.301 ( -8.612 5.148 -19.349) 21.796 5.528 ( -4.488 -7.074 -14.257) 16.536 6.057 ( -4.286 3.963 14.906) 16.008 6.758 ( -9.571 11.307 1.319) 14.873 7.185 ( -29.300 -6.955 1.755) 30.165 7.235 ( -11.866 3.843 3.285) 12.898 7.837 ( 5.122 -1.620 -0.520) 5.397 8.138 ( 2.047 -3.858 -6.861) 8.133 8.354 ( -16.834 5.078 2.809) 17.807 8.692 ( -17.546 -6.501 -0.326) 18.714 9.264 ( -8.807 4.375 1.823) 10.001 9.399 ( 14.719 -0.307 1.786) 14.830 9.780 ( -17.548 7.049 -10.644) 21.700 9.875 ( -2.868 21.445 -6.262) 22.524 10.329 ( 2.678 -2.824 -0.714) 3.957 10.390 ( -24.167 2.497 10.246) 26.368 10.898 ( -5.020 -21.787 -3.718) 22.665 11.230 ( 5.394 -14.226 -0.239) 15.216 11.467 ( 2.581 3.811 7.911) 9.152 11.650 ( 4.823 5.219 -7.462) 10.304 11.834 ( 2.246 6.819 -2.496) 7.601 12.092 ( -2.961 -1.686 -0.159) 3.411 12.282 ( 0.388 -2.705 3.814) 4.692 12.516 ( -0.237 2.918 -2.881) 4.107 12.929 ( -10.532 -3.790 -1.331) 11.272 13.083 ( -11.944 -1.193 -2.660) 12.294 13.259 ( -4.070 0.614 -4.807) 6.329 13.434 ( -1.547 16.158 2.386) 16.406 13.980 ( -4.635 -11.475 -3.457) 12.849 14.280 ( -1.886 2.561 -4.073) 5.168 14.690 ( 15.495 3.323 -1.835) 15.953 14.850 ( 0.930 -4.285 -1.983) 4.812 14.955 ( 7.578 2.020 5.976) 9.861 15.635 ( 0.586 1.041 -9.096) 9.174 15.791 ( -0.308 -1.101 0.327) 1.189 16.133 ( -1.613 1.317 4.874) 5.300 16.279 ( 0.107 -3.822 1.041) 3.962 16.418 ( 1.097 5.006 4.314) 6.698 16.608 ( -8.492 -3.099 -1.234) 9.123 17.234 ( 15.446 -6.698 -12.351) 20.881 17.735 ( 18.991 -5.576 -8.330) 21.474 20.395 ( -7.937 3.711 26.998) 28.384 20.747 ( 21.362 0.429 -1.817) 21.443 20.861 ( 2.996 -0.288 0.618) 3.073 21.084 ( -1.777 -4.010 -11.369) 12.186 21.900 ( 0.358 5.768 14.807) 15.895 22.611 ( -1.478 6.279 10.518) 12.339 22.846 ( 3.696 -8.163 -0.358) 8.968 25.064 ( -2.716 6.206 -13.039) 14.694 ======================= Grid point 93 (33/125) ======================= q-point: ( 0.33 0.11 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.510 ( 28.717 -21.974 10.682) 37.704 2.650 ( 29.842 -14.423 16.052) 36.827 4.286 ( 6.651 16.578 9.280) 20.129 4.588 ( 7.643 23.741 11.271) 27.369 4.646 ( 35.101 -5.705 17.000) 39.417 5.135 ( -0.724 -2.010 -12.123) 12.309 5.801 ( -12.292 7.513 12.967) 19.382 5.849 ( 18.085 -13.855 -6.371) 23.656 6.643 ( -0.183 -2.655 4.373) 5.119 6.859 ( -19.059 2.361 -1.953) 19.304 7.027 ( -16.106 -3.124 7.486) 18.033 7.947 ( 7.085 -3.083 -5.966) 9.762 8.000 ( -17.959 4.871 -10.771) 21.500 8.345 ( 7.804 -5.236 -2.380) 9.694 8.528 ( -17.172 -3.066 4.241) 17.952 8.983 ( -14.927 5.987 9.806) 18.837 9.254 ( -19.791 17.079 -7.614) 27.228 9.539 ( -6.685 -3.054 -0.139) 7.351 9.707 ( 6.827 2.738 4.919) 8.849 9.957 ( -20.733 -0.470 12.466) 24.196 10.569 ( 10.123 -3.001 -4.260) 11.385 11.115 ( -2.229 -13.572 -9.039) 16.458 11.347 ( -1.174 7.990 -6.449) 10.335 11.552 ( 4.440 -3.628 9.165) 10.811 11.625 ( 0.640 4.075 -0.012) 4.125 11.683 ( -2.909 -4.346 0.411) 5.246 12.135 ( 5.244 6.330 -2.910) 8.719 12.320 ( -3.028 -4.245 0.101) 5.215 12.510 ( -1.678 -5.005 -5.168) 7.388 12.792 ( -14.493 -1.276 -2.147) 14.707 12.968 ( -3.988 -0.972 -6.734) 7.886 13.068 ( -0.936 13.966 -6.823) 15.571 13.351 ( 3.404 1.568 1.761) 4.141 14.055 ( -4.503 -6.799 -3.207) 8.763 14.209 ( -2.714 1.740 -1.341) 3.491 14.703 ( 5.993 10.376 -6.925) 13.839 15.038 ( 6.413 -5.167 11.123) 13.841 15.074 ( 7.308 -6.888 0.385) 10.050 15.640 ( 0.449 -0.441 -6.020) 6.053 15.787 ( -1.806 -0.800 0.540) 2.048 16.111 ( -3.485 2.343 3.891) 5.725 16.264 ( 0.525 4.545 2.741) 5.333 16.373 ( 0.017 -2.517 -2.094) 3.275 16.569 ( -7.608 -4.906 3.505) 9.707 17.489 ( 5.602 -6.707 -6.024) 10.614 18.029 ( 11.494 -4.267 -12.463) 17.483 20.300 ( -1.061 1.817 12.675) 12.848 20.885 ( 3.034 2.607 -3.528) 5.334 21.036 ( 16.618 0.545 -0.274) 16.630 21.136 ( 5.481 -2.245 -2.895) 6.592 21.787 ( 0.275 9.469 19.167) 21.380 22.519 ( 0.227 4.372 9.102) 10.100 23.051 ( 5.909 -9.106 -2.337) 11.104 24.903 ( -6.102 6.157 -9.457) 12.828 ======================= Grid point 94 (34/125) ======================= q-point: ( 0.44 0.11 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.177 ( 23.769 -16.535 7.764) 29.978 3.227 ( 22.831 -12.368 17.739) 31.446 3.930 ( -5.527 25.069 14.961) 29.712 4.235 ( -2.263 28.528 12.522) 31.237 4.797 ( 4.593 5.381 5.252) 8.811 5.315 ( 1.803 3.346 -5.239) 6.473 5.789 ( 5.960 -13.101 3.809) 14.888 6.225 ( 3.415 -1.795 -5.771) 6.942 6.620 ( 0.581 -5.176 3.937) 6.529 6.664 ( -16.134 -3.786 3.273) 16.892 7.010 ( 10.364 -2.260 4.201) 11.409 7.729 ( -13.564 -1.283 -12.264) 18.331 8.094 ( 3.171 -1.935 -0.752) 3.790 8.197 ( -9.562 14.131 -3.870) 17.495 8.445 ( -7.294 -6.248 1.324) 9.695 8.694 ( -16.301 0.446 9.661) 18.954 9.126 ( 11.199 -9.184 -1.161) 14.530 9.387 ( -11.435 0.604 3.646) 12.018 9.806 ( 11.445 6.137 6.481) 14.514 9.828 ( -16.192 -16.290 9.646) 24.911 10.713 ( 10.317 2.849 -2.099) 10.907 11.110 ( -6.159 8.951 -10.057) 14.805 11.266 ( -2.850 -7.008 -3.981) 8.549 11.503 ( 0.087 6.499 -0.724) 6.539 11.619 ( 4.368 -1.146 5.884) 7.417 11.887 ( 1.394 -8.007 4.779) 9.428 12.035 ( -5.117 -1.488 0.698) 5.375 12.353 ( -4.983 -4.068 -8.719) 10.835 12.544 ( -10.898 3.060 -2.891) 11.683 12.594 ( -1.248 -2.498 -4.482) 5.281 12.890 ( 2.430 10.196 -7.627) 12.963 13.027 ( 4.237 -4.265 -10.111) 11.763 13.406 ( 7.556 1.710 0.794) 7.788 14.051 ( -5.563 -3.071 -1.677) 6.572 14.184 ( -0.376 -1.424 0.082) 1.475 14.603 ( 0.845 9.144 -6.122) 11.037 15.131 ( 3.111 -0.654 10.529) 10.999 15.334 ( 7.765 -10.075 0.888) 12.751 15.649 ( -0.125 -0.172 -3.578) 3.584 15.760 ( -3.295 1.190 -1.312) 3.741 15.920 ( -7.596 6.354 2.647) 10.251 16.285 ( -3.897 -3.453 1.126) 5.327 16.410 ( 0.050 -3.204 -0.558) 3.252 16.531 ( -3.335 -1.366 5.549) 6.616 17.577 ( -4.719 -3.908 -2.200) 6.510 18.179 ( 4.049 -0.966 -15.300) 15.857 20.280 ( 0.609 1.185 0.882) 1.598 20.882 ( 4.034 3.864 -2.275) 6.032 21.089 ( -3.703 -0.649 2.935) 4.769 21.380 ( 25.030 4.987 -2.900) 25.687 21.644 ( 0.315 8.791 24.928) 26.435 22.487 ( 3.045 3.104 7.107) 8.332 23.252 ( 5.641 -5.512 -2.803) 8.370 24.726 ( -8.560 2.764 -7.554) 11.746 ======================= Grid point 95 (35/125) ======================= q-point: (-0.44 0.11 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.367 ( -5.483 27.057 12.332) 30.236 3.559 ( -1.358 19.252 9.467) 21.497 3.711 ( 8.719 -8.437 7.918) 14.488 3.815 ( 11.755 0.741 25.420) 28.017 4.739 ( 0.320 10.157 8.757) 13.415 5.343 ( 5.527 -0.564 -8.315) 10.000 5.790 ( -20.146 -3.116 -5.940) 21.234 6.056 ( -4.910 11.965 2.481) 13.169 6.453 ( -17.446 -3.076 8.435) 19.621 6.829 ( 8.046 -0.048 1.314) 8.152 7.262 ( 15.022 -5.353 -0.054) 15.948 7.738 ( 0.160 -10.428 -9.682) 14.230 7.941 ( -6.581 1.765 -5.283) 8.622 8.168 ( 2.748 -8.177 0.858) 8.669 8.408 ( -8.189 -2.656 4.081) 9.527 8.633 ( -5.307 -8.404 12.424) 15.911 9.341 ( 6.859 -2.857 -3.739) 8.318 9.521 ( 15.628 -6.009 -8.534) 18.793 9.893 ( -0.002 -6.410 6.787) 9.336 9.902 ( 2.428 -12.092 15.201) 19.575 10.774 ( 10.420 9.166 0.845) 13.903 10.923 ( -7.690 -0.573 -5.094) 9.242 11.306 ( -8.501 -6.962 -4.676) 11.941 11.438 ( 1.865 3.516 -3.062) 5.022 11.696 ( 6.159 2.619 3.930) 7.762 11.896 ( 1.582 1.048 5.658) 5.967 12.121 ( -6.424 -12.411 -1.799) 14.090 12.197 ( -13.677 5.410 -5.476) 15.694 12.392 ( -1.199 0.503 -5.067) 5.231 12.706 ( 1.858 -8.406 -3.267) 9.208 12.769 ( -1.311 8.175 -7.462) 11.146 13.202 ( 10.281 -4.939 -12.227) 16.720 13.509 ( 11.473 2.556 -0.123) 11.755 14.032 ( -4.217 -3.778 -0.554) 5.689 14.219 ( 1.037 -2.198 0.020) 2.431 14.452 ( -3.113 8.732 -4.554) 10.328 15.149 ( 0.389 1.610 11.244) 11.365 15.526 ( 0.043 6.343 -0.855) 6.401 15.601 ( -1.496 -3.765 -4.787) 6.271 15.672 ( -2.174 -2.990 -1.016) 3.834 15.835 ( -2.826 -2.676 3.559) 5.274 16.182 ( -14.068 -1.962 3.677) 14.672 16.439 ( 2.343 4.099 -0.979) 4.822 16.557 ( -2.624 -7.293 4.871) 9.154 17.480 ( -12.236 0.290 -0.014) 12.239 18.177 ( -1.587 3.104 -18.491) 18.817 20.264 ( -0.101 1.643 -4.917) 5.186 20.877 ( 2.031 4.433 0.552) 4.908 21.003 ( -1.193 4.947 1.117) 5.210 21.521 ( -1.777 1.652 28.451) 28.555 21.665 ( 26.189 9.970 -1.204) 28.049 22.501 ( 4.440 2.495 6.307) 8.106 23.337 ( 2.506 2.696 -2.819) 4.636 24.605 ( -9.336 -4.080 -6.570) 12.123 ======================= Grid point 96 (36/125) ======================= q-point: (-0.33 0.11 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.785 ( -9.594 33.625 12.968) 37.294 2.864 ( -23.041 32.474 11.301) 41.390 3.930 ( 6.665 4.918 5.715) 10.063 4.167 ( 11.629 -7.122 25.313) 28.752 4.410 ( -5.336 21.489 16.247) 27.463 5.423 ( -11.132 9.928 -9.844) 17.872 5.474 ( -1.450 -7.367 -7.494) 10.608 5.947 ( -0.734 0.444 7.281) 7.331 6.339 ( -5.461 -7.579 5.411) 10.795 6.931 ( 5.393 -3.989 2.770) 7.257 7.478 ( 1.912 -5.958 -9.419) 11.308 7.845 ( 4.840 -3.554 5.338) 8.035 8.022 ( -1.251 -11.737 -9.329) 15.045 8.310 ( -10.817 -13.264 3.805) 17.533 8.396 ( 3.858 -2.798 6.113) 7.751 8.841 ( 11.035 -16.483 7.552) 21.225 9.354 ( -4.161 6.383 -6.542) 10.043 9.811 ( 21.553 1.938 -12.845) 25.166 9.946 ( -4.993 -7.797 2.269) 9.533 10.347 ( 22.823 -13.710 11.302) 28.924 10.706 ( 3.693 10.221 -1.429) 10.961 10.985 ( -2.884 -13.670 5.008) 14.841 11.199 ( -15.522 -3.653 -6.621) 17.266 11.421 ( -0.592 2.581 -0.889) 2.794 11.696 ( 1.662 3.302 -2.593) 4.516 11.909 ( -1.975 2.958 0.661) 3.618 11.981 ( 1.427 4.274 3.287) 5.578 12.224 ( 0.006 -8.533 -3.221) 9.121 12.425 ( 1.577 -0.719 -2.734) 3.237 12.626 ( -5.525 -0.311 -2.903) 6.249 12.867 ( -0.995 -10.738 -3.802) 11.435 13.441 ( 11.511 -3.931 -10.866) 16.311 13.660 ( 16.008 1.837 -3.406) 16.469 14.037 ( -2.953 -3.251 -0.975) 4.499 14.221 ( -6.063 4.328 -3.433) 8.202 14.313 ( 3.370 2.377 0.688) 4.181 15.086 ( -2.637 5.086 11.002) 12.404 15.303 ( -6.042 9.012 -3.037) 11.267 15.607 ( -3.885 0.625 -5.865) 7.062 15.782 ( 0.483 -5.314 -2.226) 5.781 15.883 ( -0.614 -8.262 4.057) 9.224 16.010 ( -14.138 -3.370 9.304) 17.257 16.374 ( 0.069 6.153 1.174) 6.264 16.605 ( -7.115 -6.945 1.997) 10.141 17.255 ( -13.050 4.577 1.116) 13.875 18.056 ( -3.736 7.452 -22.878) 24.349 20.232 ( -1.197 1.027 -3.675) 3.999 20.746 ( -4.338 8.016 1.663) 9.265 20.979 ( 5.828 5.154 1.728) 7.969 21.484 ( -2.119 -1.403 29.788) 29.897 21.867 ( 24.194 11.363 -2.700) 26.865 22.526 ( 3.559 1.875 6.351) 7.518 23.244 ( -1.667 9.507 -2.565) 9.987 24.585 ( -9.071 -9.630 -5.951) 14.506 ======================= Grid point 97 (37/125) ======================= q-point: (-0.22 0.11 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.017 ( -22.859 33.455 14.437) 43.013 2.118 ( -9.749 36.358 14.688) 40.406 3.483 ( -3.210 47.008 29.143) 55.402 3.989 ( -9.041 17.066 8.357) 21.043 4.481 ( 5.968 -6.476 27.721) 29.086 5.231 ( -4.014 -7.205 -12.774) 15.205 5.679 ( 5.745 -7.740 -4.395) 10.594 5.938 ( -1.276 -2.419 0.674) 2.817 6.529 ( 4.059 -16.090 -1.222) 16.639 7.013 ( -3.507 -3.193 0.127) 4.745 7.693 ( 9.381 -16.442 -6.576) 20.039 7.982 ( -0.065 1.868 0.564) 1.952 8.083 ( 5.221 -5.332 11.164) 13.429 8.316 ( -12.783 -10.617 11.121) 19.995 8.683 ( 8.934 -18.696 -0.291) 20.723 9.109 ( -3.109 8.450 -6.614) 11.172 9.301 ( 3.865 -16.291 -6.263) 17.876 9.868 ( 4.133 15.080 -13.034) 20.356 10.062 ( 15.740 1.524 -6.104) 16.951 10.535 ( -3.225 7.136 -3.845) 8.724 10.849 ( -17.295 -6.454 3.740) 18.835 10.888 ( 8.564 -6.659 -1.682) 10.978 11.246 ( 3.624 0.200 8.796) 9.515 11.432 ( 0.947 -11.935 6.466) 13.607 11.650 ( -3.185 2.200 -6.894) 7.907 11.888 ( 2.336 -3.494 0.369) 4.219 11.982 ( 5.865 4.600 5.186) 9.080 12.251 ( -6.075 9.500 -1.624) 11.393 12.482 ( 12.999 -8.342 -3.332) 15.801 12.772 ( -1.492 -19.007 -0.578) 19.075 12.976 ( -5.299 -9.952 -2.949) 11.654 13.563 ( 5.006 3.051 -3.347) 6.751 13.860 ( -3.718 -4.242 -8.774) 10.431 14.045 ( 18.436 11.202 -7.775) 22.931 14.106 ( -1.623 -3.533 0.324) 3.901 14.366 ( 3.383 0.029 -0.169) 3.387 14.936 ( -1.764 8.449 5.043) 9.996 15.109 ( -5.879 6.525 -3.497) 9.453 15.489 ( -12.111 -0.019 2.204) 12.310 15.797 ( -3.279 -1.043 1.045) 3.596 15.928 ( -6.310 -5.200 8.672) 11.918 16.035 ( -0.360 -9.926 1.749) 10.086 16.275 ( -0.852 5.028 4.014) 6.490 16.571 ( -7.840 -4.100 0.027) 8.847 17.017 ( -7.303 7.085 1.620) 10.303 17.864 ( -2.081 12.216 -28.680) 31.242 20.216 ( -1.872 -2.273 -0.158) 2.948 20.585 ( -1.852 5.912 4.577) 7.702 20.951 ( 2.486 6.696 3.670) 8.031 21.520 ( 1.325 -4.433 27.130) 27.522 21.989 ( 17.534 11.978 -2.954) 21.439 22.539 ( 1.043 0.800 6.594) 6.724 23.043 ( -3.744 10.793 -1.904) 11.581 24.613 ( -8.266 -9.791 -4.821) 13.690 ======================= Grid point 98 (38/125) ======================= q-point: (-0.11 0.11 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( 0.000 29.027 25.098) 38.373 1.475 ( 0.000 36.196 19.402) 41.068 2.676 ( 0.000 52.604 46.392) 70.138 3.612 ( 0.000 18.046 11.255) 21.268 4.596 ( -0.000 -4.103 25.886) 26.209 5.387 ( -0.000 -11.057 -15.074) 18.694 5.828 ( -0.000 -5.309 -10.292) 11.580 5.973 ( -0.000 -3.656 2.726) 4.560 6.860 ( -0.000 -20.257 -2.290) 20.386 7.026 ( -0.000 -5.629 -2.259) 6.066 7.846 ( 0.000 9.708 -0.500) 9.720 8.138 ( -0.000 -23.366 1.048) 23.389 8.292 ( -0.000 -6.426 17.486) 18.630 8.301 ( -0.000 -8.647 13.263) 15.833 8.899 ( 0.000 7.334 -0.826) 7.380 9.101 ( -0.000 -20.897 -7.451) 22.186 9.500 ( -0.000 -4.074 -17.632) 18.096 9.541 ( 0.000 25.884 -19.282) 32.277 10.245 ( 0.000 10.329 -9.232) 13.853 10.350 ( 0.000 0.618 -4.256) 4.301 10.666 ( -0.000 -3.813 1.414) 4.067 11.122 ( -0.000 -5.998 -4.645) 7.586 11.293 ( -0.000 -5.104 18.509) 19.200 11.517 ( 0.000 7.972 -7.697) 11.082 11.598 ( -0.000 -0.897 9.466) 9.508 11.932 ( 0.000 15.491 1.467) 15.561 12.073 ( -0.000 -4.113 10.488) 11.265 12.104 ( -0.000 -19.265 0.367) 19.269 12.852 ( -0.000 -7.820 -9.743) 12.493 12.884 ( -0.000 -8.812 -3.368) 9.433 13.169 ( -0.000 -20.175 2.355) 20.312 13.522 ( 0.000 6.144 -1.417) 6.305 13.772 ( -0.000 -0.070 -3.971) 3.971 14.126 ( -0.000 -3.805 -1.806) 4.212 14.139 ( 0.000 11.811 -14.657) 18.824 14.382 ( 0.000 1.158 -0.869) 1.448 14.879 ( 0.000 8.513 -11.527) 14.330 14.897 ( 0.000 5.983 0.275) 5.989 15.346 ( 0.000 0.516 20.358) 20.365 15.772 ( 0.000 0.505 0.407) 0.648 15.946 ( -0.000 -3.049 4.241) 5.223 16.124 ( -0.000 -2.293 4.944) 5.450 16.272 ( -0.000 -6.807 4.153) 7.974 16.564 ( -0.000 -2.814 -0.378) 2.840 16.845 ( 0.000 8.323 1.293) 8.423 17.615 ( 0.000 19.980 -33.258) 38.798 20.245 ( -0.000 -2.776 -1.419) 3.118 20.575 ( -0.000 -8.175 9.547) 12.569 20.865 ( 0.000 5.866 4.478) 7.380 21.644 ( -0.000 -8.714 28.877) 30.164 21.960 ( 0.000 10.087 -4.353) 10.986 22.543 ( -0.000 -1.522 7.525) 7.677 22.855 ( 0.000 8.952 -0.007) 8.952 24.660 ( -0.000 -6.251 -3.072) 6.965 ======================= Grid point 101 (39/125) ======================= q-point: ( 0.22 0.22 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( 39.973 -0.000 12.273) 41.815 2.419 ( 37.904 -0.000 14.315) 40.517 4.453 ( 58.269 -0.000 21.493) 62.106 4.607 ( 9.234 -0.000 8.035) 12.240 5.121 ( 8.180 -0.000 0.235) 8.184 5.301 ( -4.839 0.000 -17.289) 17.953 5.355 ( 17.721 -0.000 5.805) 18.647 6.020 ( -7.149 0.000 12.997) 14.834 6.523 ( -37.315 0.000 6.542) 37.884 6.823 ( -5.032 0.000 -7.046) 8.658 7.032 ( -19.913 0.000 4.632) 20.445 7.970 ( 10.704 -0.000 -0.474) 10.715 8.130 ( -9.724 0.000 -1.834) 9.896 8.166 ( -3.532 0.000 9.208) 9.862 8.347 ( -18.735 0.000 -12.519) 22.533 9.064 ( -20.199 0.000 10.767) 22.890 9.392 ( -29.633 0.000 -7.198) 30.494 9.715 ( 15.174 -0.000 4.559) 15.844 9.911 ( -30.925 0.000 16.820) 35.203 10.175 ( 0.864 -0.000 -15.418) 15.442 10.479 ( 8.733 -0.000 -6.664) 10.985 10.547 ( -4.521 0.000 1.835) 4.879 11.264 ( 9.339 -0.000 -1.969) 9.545 11.505 ( 2.748 -0.000 12.215) 12.521 11.795 ( 2.304 -0.000 -10.909) 11.150 11.969 ( 2.679 -0.000 -8.718) 9.120 12.025 ( -2.446 0.000 -0.466) 2.490 12.158 ( -2.038 0.000 -0.592) 2.122 12.571 ( 0.295 -0.000 3.192) 3.205 12.621 ( -19.818 0.000 -0.718) 19.831 12.964 ( -8.973 0.000 -4.286) 9.944 13.270 ( 3.367 -0.000 -6.980) 7.749 13.588 ( -2.091 0.000 2.324) 3.126 13.809 ( -0.125 0.000 -4.728) 4.730 14.237 ( -6.090 0.000 -2.215) 6.481 14.809 ( 0.399 -0.000 -1.910) 1.952 14.892 ( 12.561 -0.000 7.100) 14.429 15.141 ( 9.788 -0.000 -1.316) 9.876 15.636 ( -1.023 0.000 -6.519) 6.599 15.792 ( 0.185 -0.000 0.964) 0.982 16.103 ( -6.471 0.000 -1.443) 6.629 16.138 ( -4.306 0.000 2.544) 5.001 16.494 ( -10.010 0.000 1.406) 10.109 16.499 ( 5.295 -0.000 3.921) 6.588 17.327 ( 6.955 -0.000 -14.115) 15.736 17.975 ( 17.508 -0.000 -4.510) 18.080 20.332 ( -3.277 0.000 25.815) 26.022 20.915 ( 4.744 -0.000 2.305) 5.274 21.059 ( 0.063 -0.000 -14.407) 14.407 21.115 ( 28.302 -0.000 -2.997) 28.460 21.963 ( 1.508 -0.000 14.272) 14.352 22.638 ( -1.968 0.000 12.493) 12.647 22.855 ( 7.662 -0.000 -3.172) 8.292 25.016 ( -9.345 0.000 -11.797) 15.050 ======================= Grid point 102 (40/125) ======================= q-point: ( 0.33 0.22 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.743 ( 36.504 -9.149 7.925) 38.459 2.979 ( 34.787 -4.434 15.246) 38.240 4.595 ( 3.463 13.346 13.421) 19.242 4.957 ( -1.842 11.751 -0.697) 11.915 5.059 ( 6.094 17.033 -6.971) 19.388 5.288 ( 35.031 -6.689 7.578) 36.460 5.720 ( -17.483 11.202 9.063) 22.656 5.968 ( 29.412 -11.447 1.915) 31.620 6.251 ( -22.132 -18.593 3.888) 29.166 6.594 ( -20.867 -0.657 -7.121) 22.058 6.943 ( 4.125 -1.775 9.927) 10.895 7.776 ( -21.959 5.314 1.082) 22.619 8.054 ( 5.544 1.154 -1.919) 5.979 8.173 ( -14.034 -6.598 -3.449) 15.886 8.399 ( 9.226 -7.228 -2.466) 11.977 8.748 ( -20.167 -0.303 15.127) 25.212 8.956 ( -28.428 -1.189 0.339) 28.455 9.502 ( -24.302 -3.149 14.358) 28.401 9.756 ( 0.860 23.310 -8.231) 24.735 10.028 ( 12.584 7.648 4.677) 15.451 10.629 ( 6.946 -4.909 -6.376) 10.630 10.782 ( -4.017 -22.974 -7.896) 24.623 11.340 ( -4.299 -6.228 1.968) 7.819 11.612 ( 5.842 0.604 6.741) 8.941 11.641 ( -4.437 10.729 -5.970) 13.056 11.797 ( -0.035 10.325 -2.865) 10.715 12.117 ( -8.133 -9.330 -7.573) 14.510 12.293 ( 5.615 3.171 -1.719) 6.674 12.340 ( -5.446 -4.847 -1.587) 7.462 12.579 ( -10.435 -3.759 2.453) 11.360 12.891 ( -1.456 -3.023 -7.713) 8.411 13.256 ( 2.105 9.044 -12.165) 15.304 13.504 ( 4.932 5.609 3.598) 8.290 13.901 ( -0.830 -7.094 -2.694) 7.633 14.141 ( -7.033 -0.807 -0.605) 7.105 14.820 ( 1.395 2.179 -4.187) 4.922 15.068 ( 8.310 -3.072 9.847) 13.247 15.221 ( 8.641 4.277 0.039) 9.641 15.628 ( -0.866 -0.768 -3.878) 4.046 15.764 ( -1.817 1.235 0.511) 2.256 16.059 ( -5.707 -0.234 2.963) 6.434 16.097 ( -11.746 -9.379 -1.621) 15.119 16.318 ( -6.672 2.859 0.958) 7.322 16.571 ( 5.152 1.238 0.738) 5.350 17.419 ( -0.241 -4.628 -10.562) 11.534 18.178 ( 11.333 0.635 -6.812) 13.238 20.309 ( 0.327 0.601 17.699) 17.712 20.981 ( 5.535 1.311 2.252) 6.117 21.057 ( -0.258 -0.155 -8.061) 8.066 21.518 ( 30.830 2.887 -3.586) 31.171 21.920 ( -0.483 6.606 17.037) 18.279 22.611 ( 3.831 4.166 8.671) 10.355 23.029 ( 8.251 -6.898 -2.783) 11.109 24.833 ( -12.922 2.769 -9.506) 16.279 ======================= Grid point 103 (41/125) ======================= q-point: ( 0.44 0.22 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.358 ( 29.796 -8.959 5.750) 31.641 3.491 ( 28.559 -3.921 17.352) 33.646 4.288 ( -1.338 27.283 15.761) 31.537 4.564 ( -10.539 25.743 6.943) 28.670 5.017 ( 10.805 7.032 -0.761) 12.914 5.352 ( -8.298 3.794 -1.038) 9.183 5.655 ( -6.909 -2.632 -3.601) 8.223 6.159 ( -12.979 -6.714 -3.752) 15.087 6.305 ( -0.652 -5.648 5.182) 7.693 6.720 ( 19.054 -9.688 0.022) 21.376 7.106 ( 10.367 -5.127 7.515) 13.792 7.446 ( -18.228 -2.231 -3.496) 18.694 8.041 ( -8.202 0.908 1.870) 8.461 8.157 ( -2.602 -10.082 2.397) 10.684 8.391 ( -8.183 -1.190 4.002) 9.187 8.482 ( -9.703 14.321 6.723) 18.559 8.968 ( 1.301 -21.743 6.199) 22.647 9.324 ( -21.850 -13.317 11.975) 28.252 9.476 ( 9.091 10.619 -6.736) 15.517 10.084 ( 10.462 9.555 4.425) 14.844 10.809 ( 5.009 -6.056 -4.310) 8.964 10.939 ( -10.550 -9.972 -7.607) 16.389 11.288 ( -4.920 13.440 -2.730) 14.571 11.439 ( -10.001 -15.328 -3.779) 18.688 11.647 ( 0.466 2.602 -0.580) 2.706 11.816 ( 8.874 -1.227 4.651) 10.094 12.010 ( -6.777 1.897 4.019) 8.105 12.234 ( -7.798 0.151 -6.900) 10.413 12.469 ( -5.717 -5.792 -3.245) 8.761 12.491 ( 3.122 0.690 -5.061) 5.987 13.004 ( 5.775 -6.203 -8.736) 12.171 13.107 ( 2.287 12.460 -11.386) 17.033 13.562 ( 8.137 0.992 0.228) 8.201 13.949 ( -1.699 -2.086 -0.869) 2.828 14.103 ( -3.871 -4.944 1.092) 6.374 14.753 ( 1.071 8.834 -4.690) 10.059 15.170 ( 2.598 0.070 11.298) 11.593 15.331 ( 6.058 -5.072 0.334) 7.908 15.630 ( -1.237 -1.192 -1.963) 2.609 15.722 ( -3.078 0.322 -1.378) 3.387 15.858 ( -12.770 4.143 0.113) 13.426 16.059 ( -13.151 -6.045 2.804) 14.743 16.303 ( -0.945 -5.606 1.359) 5.845 16.600 ( 4.294 3.844 -1.977) 6.092 17.434 ( -5.855 -2.810 -6.368) 9.096 18.267 ( 5.262 3.088 -10.747) 12.358 20.310 ( 1.177 1.150 7.073) 7.262 21.022 ( 5.487 3.847 2.691) 7.221 21.060 ( 0.672 -0.100 0.285) 0.736 21.725 ( 0.005 9.815 15.515) 18.358 21.926 ( 27.865 6.071 0.085) 28.518 22.619 ( 6.781 5.153 6.385) 10.645 23.258 ( 7.916 -6.935 -2.560) 10.831 24.589 ( -15.540 2.097 -7.651) 17.448 ======================= Grid point 104 (42/125) ======================= q-point: (-0.44 0.22 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.743 ( 7.508 13.318 9.115) 17.800 3.783 ( -7.958 27.420 8.434) 29.771 3.898 ( 17.817 6.296 8.020) 20.529 4.047 ( 9.326 8.403 23.893) 26.990 5.003 ( 7.263 14.194 4.358) 16.529 5.256 ( -16.226 -5.877 -6.276) 18.363 5.551 ( -2.614 -2.793 -3.236) 5.011 6.036 ( -11.417 -1.276 2.317) 11.719 6.282 ( -3.963 4.575 0.577) 6.080 6.927 ( 1.693 0.160 -4.527) 4.836 7.341 ( 8.055 -4.876 -0.601) 9.435 7.428 ( -7.441 -16.843 3.878) 18.817 7.979 ( -0.135 6.237 -3.818) 7.314 8.101 ( -4.470 6.322 6.223) 9.934 8.290 ( 0.069 -7.634 4.820) 9.029 8.430 ( -2.229 -10.445 14.642) 18.123 9.267 ( -8.111 -16.512 3.721) 18.769 9.402 ( 1.206 -24.629 3.276) 24.875 9.701 ( 18.887 -3.929 -6.731) 20.432 10.083 ( 9.133 3.585 10.946) 14.700 10.766 ( -16.561 -2.778 -6.643) 18.058 10.967 ( 5.550 1.408 -1.171) 5.844 11.094 ( -7.804 1.852 -1.241) 8.116 11.473 ( -3.326 -2.219 -9.182) 10.014 11.732 ( 0.653 -10.326 -3.983) 11.087 11.931 ( -0.453 -0.860 7.128) 7.194 11.960 ( 5.378 -0.259 5.024) 7.364 12.092 ( -8.691 -0.077 -5.312) 10.186 12.406 ( -0.746 5.927 -7.983) 9.970 12.562 ( -1.521 -6.797 -3.361) 7.733 12.930 ( -0.008 12.803 -10.442) 16.521 13.233 ( 9.034 -8.457 -8.451) 14.985 13.673 ( 6.876 -1.168 -4.248) 8.166 13.968 ( 3.153 -0.412 2.649) 4.139 14.157 ( -0.862 -5.749 0.724) 5.858 14.600 ( -0.138 11.552 -2.564) 11.834 15.169 ( -1.013 1.158 9.767) 9.887 15.453 ( -8.652 -5.341 -1.006) 10.217 15.569 ( -3.753 1.165 -3.364) 5.173 15.654 ( 1.416 1.142 -1.851) 2.595 15.749 ( -3.308 -2.946 2.806) 5.243 15.920 ( -14.152 -2.193 5.464) 15.328 16.380 ( -3.136 -7.077 1.059) 7.813 16.574 ( 2.751 6.121 -2.671) 7.223 17.345 ( -7.596 1.370 -2.133) 8.008 18.241 ( 0.946 5.731 -15.527) 16.578 20.297 ( 0.483 2.203 -1.825) 2.901 20.989 ( 0.423 6.374 2.540) 6.875 21.098 ( 6.707 2.116 6.675) 9.696 21.541 ( -5.130 6.889 21.506) 23.157 22.222 ( 28.859 10.186 -3.589) 30.813 22.634 ( 5.875 5.079 5.858) 9.727 23.412 ( 4.488 -0.110 -2.385) 5.083 24.368 ( -15.463 -3.396 -6.272) 17.029 ======================= Grid point 105 (43/125) ======================= q-point: (-0.33 0.22 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.060 ( -17.522 35.235 7.096) 39.986 3.239 ( -2.691 36.346 14.151) 39.096 4.177 ( 18.841 -0.494 8.399) 20.634 4.341 ( 16.266 2.307 20.639) 26.379 4.759 ( 0.857 21.387 7.089) 22.547 5.090 ( -19.950 -2.961 -2.792) 20.361 5.517 ( -5.857 -0.952 9.487) 11.190 5.952 ( 2.968 2.879 -7.529) 8.590 6.202 ( -3.056 -3.698 -2.795) 5.552 6.987 ( 6.071 -0.459 -3.374) 6.961 7.381 ( -2.505 -3.665 -7.894) 9.056 7.605 ( -12.918 -18.667 -1.988) 22.788 7.863 ( 3.451 -3.077 16.944) 17.563 8.145 ( -0.596 -1.985 3.622) 4.173 8.412 ( 5.298 -4.857 7.932) 10.704 8.683 ( 3.684 -19.309 3.197) 19.915 9.430 ( 1.492 -2.055 -5.546) 6.100 9.581 ( -6.551 -14.136 3.189) 15.903 10.168 ( 25.950 -11.923 -5.418) 29.067 10.253 ( -2.675 -13.394 12.074) 18.230 10.692 ( 0.895 -5.251 -1.242) 5.470 10.859 ( -17.286 0.167 -6.985) 18.645 11.022 ( 3.427 4.215 2.924) 6.169 11.474 ( -1.068 -1.643 -10.331) 10.516 11.829 ( 2.517 8.871 -3.910) 10.016 11.919 ( -0.326 -0.962 0.806) 1.296 12.019 ( 2.061 -0.149 5.702) 6.065 12.085 ( -0.160 -10.782 -5.027) 11.898 12.355 ( -1.229 -4.465 -2.438) 5.233 12.649 ( -2.684 -6.933 -3.080) 8.047 12.714 ( -2.442 12.050 -7.576) 14.441 13.481 ( 6.605 -7.878 -6.742) 12.294 13.772 ( 1.573 -3.496 -7.096) 8.065 14.064 ( 10.196 1.418 3.352) 10.826 14.233 ( 2.112 -3.073 -1.176) 3.910 14.433 ( -0.098 8.528 -0.714) 8.558 15.108 ( -3.043 2.847 5.757) 7.107 15.260 ( -11.746 3.517 -3.681) 12.802 15.531 ( -7.471 1.170 0.714) 7.596 15.712 ( 1.342 -4.019 -2.224) 4.786 15.773 ( -2.170 -4.727 4.383) 6.802 15.802 ( -4.301 -3.152 7.929) 9.556 16.419 ( -4.343 -5.517 0.105) 7.022 16.495 ( 1.066 7.804 -1.120) 7.956 17.202 ( -5.140 4.929 1.138) 7.212 18.137 ( -0.790 7.642 -20.489) 21.882 20.257 ( -0.229 3.120 -5.258) 6.118 20.856 ( -0.794 10.090 1.815) 10.283 21.157 ( 7.341 5.215 6.881) 11.333 21.407 ( -5.500 -0.284 26.313) 26.884 22.399 ( 20.329 13.395 -4.524) 24.762 22.625 ( 2.962 4.505 5.947) 8.027 23.360 ( -1.661 8.696 -2.302) 9.148 24.298 ( -9.053 -10.328 -4.880) 14.575 ======================= Grid point 106 (44/125) ======================= q-point: (-0.22 0.22 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.367 ( 0.000 36.732 11.847) 38.595 2.644 ( 0.000 38.931 13.626) 41.246 4.206 ( 0.000 18.525 1.713) 18.604 4.216 ( 0.000 39.386 19.320) 43.869 4.471 ( 0.000 0.969 30.385) 30.401 5.028 ( -0.000 -11.381 -7.254) 13.496 5.557 ( -0.000 -9.489 12.130) 15.400 5.955 ( 0.000 2.401 -13.755) 13.963 6.318 ( -0.000 -13.647 -4.776) 14.459 6.991 ( 0.000 2.856 -4.471) 5.306 7.520 ( -0.000 -13.096 -5.683) 14.276 7.808 ( -0.000 -22.634 -1.572) 22.689 8.024 ( -0.000 -9.934 18.905) 21.356 8.115 ( 0.000 2.487 6.353) 6.823 8.561 ( -0.000 -8.527 10.047) 13.178 9.033 ( -0.000 -21.638 -11.938) 24.713 9.272 ( 0.000 13.936 -8.035) 16.087 9.882 ( -0.000 -17.549 9.658) 20.031 10.318 ( -0.000 -5.283 3.374) 6.269 10.425 ( 0.000 12.281 -17.905) 21.711 10.724 ( -0.000 -2.073 -6.720) 7.032 10.857 ( -0.000 -9.798 3.003) 10.247 11.110 ( -0.000 -18.293 10.635) 21.160 11.422 ( 0.000 10.098 -0.086) 10.098 11.664 ( 0.000 6.727 -8.546) 10.875 11.906 ( 0.000 2.057 -0.586) 2.138 12.049 ( -0.000 -1.046 7.497) 7.570 12.349 ( -0.000 -10.931 -7.720) 13.382 12.480 ( 0.000 7.025 -3.870) 8.020 12.481 ( -0.000 -12.194 -2.438) 12.435 12.755 ( -0.000 -9.105 -0.419) 9.115 13.609 ( -0.000 -2.406 -4.090) 4.745 13.818 ( -0.000 -1.190 -6.969) 7.070 14.086 ( 0.000 3.115 2.658) 4.095 14.345 ( -0.000 -3.241 2.312) 3.981 14.357 ( 0.000 3.936 -10.836) 11.529 15.037 ( 0.000 3.470 -1.386) 3.736 15.076 ( 0.000 5.522 -2.396) 6.019 15.412 ( 0.000 3.840 13.128) 13.678 15.749 ( -0.000 -1.757 0.154) 1.764 15.826 ( -0.000 -4.577 4.508) 6.424 15.892 ( -0.000 -8.707 3.069) 9.232 16.377 ( 0.000 8.213 1.465) 8.343 16.453 ( -0.000 -4.298 -0.401) 4.317 17.073 ( 0.000 6.727 2.520) 7.183 18.004 ( 0.000 8.870 -25.160) 26.678 20.210 ( 0.000 2.268 -3.966) 4.569 20.694 ( 0.000 9.687 2.554) 10.018 21.095 ( 0.000 8.696 5.111) 10.087 21.427 ( -0.000 -6.045 28.063) 28.707 22.345 ( 0.000 14.241 -4.990) 15.090 22.582 ( 0.000 3.428 6.166) 7.055 23.178 ( 0.000 11.296 -2.119) 11.493 24.399 ( -0.000 -10.720 -3.778) 11.366 ======================= Grid point 111 (45/125) ======================= q-point: ( 0.33 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.198 ( 35.697 -0.000 5.356) 36.097 3.440 ( 33.242 -0.000 16.103) 36.937 4.749 ( 3.882 -0.000 12.896) 13.468 5.044 ( 0.479 -0.000 1.901) 1.960 5.155 ( -6.422 0.000 -11.148) 12.866 5.556 ( -29.639 0.000 -5.248) 30.100 5.627 ( 6.099 -0.000 -2.903) 6.754 5.790 ( -5.058 0.000 10.588) 11.734 6.340 ( -3.122 0.000 -1.697) 3.554 6.404 ( 36.057 -0.000 7.057) 36.741 6.986 ( 2.862 -0.000 16.936) 17.176 7.577 ( -13.990 0.000 9.681) 17.013 7.804 ( -14.662 0.000 -10.418) 17.986 8.266 ( -4.930 0.000 4.297) 6.540 8.285 ( -11.033 0.000 0.404) 11.040 8.469 ( -8.379 0.000 12.829) 15.323 8.751 ( 2.672 -0.000 -1.354) 2.995 9.108 ( -23.493 0.000 15.697) 28.254 10.078 ( -6.715 0.000 -14.054) 15.576 10.187 ( 9.834 -0.000 -4.777) 10.933 10.509 ( 4.547 -0.000 7.704) 8.945 10.667 ( 4.407 -0.000 -8.663) 9.719 11.115 ( -17.985 0.000 1.785) 18.073 11.700 ( -6.727 0.000 -9.849) 11.927 11.722 ( -0.703 0.000 2.542) 2.637 11.754 ( -1.885 0.000 0.973) 2.121 11.947 ( -4.349 0.000 -1.242) 4.523 12.284 ( 2.199 -0.000 -1.532) 2.680 12.316 ( -18.992 0.000 3.225) 19.264 12.497 ( 15.701 -0.000 -8.415) 17.814 12.892 ( 4.755 -0.000 -6.655) 8.179 13.377 ( 3.505 -0.000 -17.658) 18.002 13.572 ( 0.416 -0.000 2.472) 2.507 13.875 ( 4.764 -0.000 3.150) 5.711 14.020 ( -7.889 0.000 -0.924) 7.943 14.879 ( 4.295 -0.000 -4.221) 6.022 15.153 ( 6.298 -0.000 10.861) 12.554 15.320 ( -1.213 0.000 0.483) 1.306 15.603 ( -1.358 0.000 -1.750) 2.215 15.743 ( -4.309 0.000 -0.935) 4.409 15.860 ( -10.405 0.000 -0.083) 10.406 15.951 ( -8.444 0.000 1.964) 8.669 16.241 ( -4.620 0.000 1.068) 4.742 16.662 ( 5.528 -0.000 -3.372) 6.475 17.377 ( -1.336 0.000 -11.366) 11.445 18.324 ( 7.844 -0.000 -6.595) 10.248 20.329 ( 1.666 -0.000 18.191) 18.268 21.025 ( -0.134 0.000 -2.644) 2.647 21.109 ( 7.125 -0.000 -0.458) 7.139 21.928 ( -5.480 0.000 17.554) 18.389 21.996 ( 32.615 -0.000 -4.325) 32.901 22.747 ( 9.403 -0.000 6.202) 11.264 23.084 ( 7.690 -0.000 -3.076) 8.282 24.639 ( -17.078 0.000 -8.467) 19.062 ======================= Grid point 112 (46/125) ======================= q-point: ( 0.44 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.701 ( 30.380 -3.591 3.349) 30.775 3.862 ( 26.223 0.434 18.127) 31.882 4.661 ( 1.826 19.187 17.694) 26.164 4.760 ( -12.407 22.646 0.456) 25.827 5.125 ( -15.679 -1.791 -6.091) 16.916 5.198 ( 0.336 -1.155 -7.313) 7.411 5.518 ( -13.590 -0.626 -6.347) 15.012 5.837 ( -4.109 -9.910 6.531) 12.560 6.390 ( 4.640 2.769 -4.504) 7.034 6.841 ( 9.444 -1.259 7.987) 12.432 7.059 ( 2.505 -10.159 19.364) 22.010 7.362 ( 0.715 9.075 -1.166) 9.178 7.853 ( -1.200 -16.413 0.508) 16.465 8.002 ( -10.581 2.782 7.376) 13.194 8.161 ( -9.775 -6.437 10.595) 15.787 8.645 ( 5.168 -11.937 2.644) 13.274 8.725 ( -9.001 1.487 6.927) 11.454 8.937 ( -3.466 2.576 6.256) 7.602 9.801 ( 7.800 13.326 -8.826) 17.786 10.332 ( 3.292 1.602 -5.646) 6.729 10.573 ( -8.322 -0.905 1.575) 8.518 10.827 ( 4.564 -11.442 -5.700) 13.573 10.949 ( -17.139 -15.122 -1.037) 22.880 11.452 ( -2.874 11.389 -4.953) 12.748 11.678 ( -4.554 1.826 -2.480) 5.498 11.848 ( 3.177 -4.596 3.113) 6.396 11.917 ( -4.637 -2.068 -1.342) 5.252 12.048 ( -15.679 -1.798 4.865) 16.515 12.353 ( 1.692 -3.427 -0.147) 3.824 12.693 ( 14.096 5.411 -13.198) 20.054 13.008 ( 6.320 -4.733 -6.855) 10.456 13.311 ( 1.033 10.915 -15.305) 18.827 13.615 ( 1.644 -2.701 -3.528) 4.738 13.951 ( -4.979 -5.800 1.684) 7.828 13.987 ( 8.782 0.492 4.762) 10.002 14.894 ( 1.961 6.541 -3.990) 7.909 15.185 ( -7.290 0.093 6.395) 9.698 15.263 ( -1.800 -4.368 5.444) 7.208 15.582 ( -3.543 -0.387 -1.696) 3.947 15.688 ( -1.793 -0.075 -2.765) 3.296 15.711 ( -9.967 0.140 1.892) 10.146 15.878 ( -4.684 -0.883 3.467) 5.894 16.222 ( -1.267 -2.697 0.197) 2.986 16.712 ( 4.035 2.555 -5.590) 7.352 17.356 ( -2.500 -0.169 -9.600) 9.922 18.387 ( 4.190 3.053 -8.828) 10.238 20.347 ( 1.588 1.001 13.067) 13.201 21.026 ( -0.640 -1.164 -0.864) 1.585 21.206 ( 9.334 3.051 5.034) 11.035 21.779 ( -8.106 5.801 16.692) 19.442 22.424 ( 30.448 3.051 -4.703) 30.960 22.825 ( 8.715 6.732 4.604) 11.936 23.251 ( 6.519 -7.594 -2.491) 10.314 24.368 ( -19.125 1.390 -7.073) 20.438 ======================= Grid point 113 (47/125) ======================= q-point: (-0.44 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.024 ( 3.540 19.020 1.102) 19.378 4.136 ( 13.173 7.754 3.947) 15.788 4.275 ( 0.983 13.669 23.952) 27.596 4.318 ( 12.013 15.459 13.312) 23.675 4.889 ( -21.131 -2.752 -9.645) 23.391 5.249 ( 3.381 6.293 -1.181) 7.241 5.449 ( -4.932 -5.844 5.517) 9.429 5.931 ( 4.191 -3.999 1.176) 5.911 6.308 ( -7.371 4.306 -11.391) 14.234 6.793 ( -6.921 -4.359 5.848) 10.055 7.231 ( -0.931 -4.078 9.173) 10.082 7.376 ( 4.709 -1.995 3.826) 6.387 7.977 ( 4.943 -6.799 3.343) 9.046 8.105 ( -1.639 -11.284 6.734) 13.242 8.278 ( 4.000 -10.120 11.418) 15.773 8.416 ( -0.193 27.349 2.573) 27.470 8.730 ( -16.811 -17.687 9.864) 26.320 9.113 ( 5.183 -26.035 2.317) 26.647 9.950 ( 16.158 2.983 -8.772) 18.626 10.298 ( 4.271 10.106 3.323) 11.463 10.447 ( -7.352 -10.899 -5.053) 14.084 10.896 ( -19.461 -6.705 -0.687) 20.595 11.044 ( 4.656 -5.609 -1.673) 7.479 11.351 ( -0.893 -1.101 -12.772) 12.850 11.627 ( -1.502 -3.321 -1.506) 3.944 11.857 ( -5.079 -2.993 6.967) 9.127 11.938 ( -1.922 -4.916 -1.547) 5.501 12.000 ( 0.144 -4.040 3.770) 5.528 12.422 ( 0.584 -3.177 -0.896) 3.352 12.684 ( 5.852 14.028 -14.612) 21.084 13.127 ( 0.164 12.498 -11.809) 17.195 13.202 ( 4.790 -8.148 -6.205) 11.307 13.663 ( -0.615 -3.073 -7.381) 8.019 14.020 ( -0.767 -8.042 0.707) 8.109 14.148 ( 15.867 1.695 6.631) 17.280 14.698 ( -11.460 7.938 -0.349) 13.945 15.113 ( -4.873 -2.639 1.377) 5.710 15.307 ( -0.728 -0.508 2.761) 2.900 15.484 ( -7.561 -0.566 0.279) 7.588 15.656 ( -1.748 -2.486 4.367) 5.321 15.688 ( 0.493 -0.681 -1.682) 1.880 15.808 ( -3.217 2.423 3.255) 5.178 16.263 ( -1.170 -4.326 -0.387) 4.498 16.696 ( 1.973 5.079 -5.652) 7.851 17.306 ( -2.349 2.053 -5.902) 6.676 18.354 ( 1.362 6.181 -12.506) 14.017 20.339 ( 0.644 2.105 4.363) 4.887 21.034 ( -0.240 0.081 3.590) 3.599 21.276 ( 9.664 5.272 10.444) 15.174 21.555 ( -8.731 7.122 14.719) 18.536 22.726 ( 21.656 7.372 -4.919) 23.399 22.807 ( 4.827 7.748 4.384) 10.126 23.436 ( 3.660 -5.146 -2.004) 6.625 24.101 ( -15.710 -1.270 -5.878) 16.821 ======================= Grid point 114 (48/125) ======================= q-point: (-0.33 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.477 ( 0.000 35.710 2.013) 35.766 3.764 ( 0.000 34.604 15.278) 37.827 4.337 ( -0.000 -1.570 29.423) 29.465 4.596 ( 0.000 6.559 -11.027) 12.830 4.643 ( -0.000 -11.384 0.229) 11.386 5.157 ( 0.000 11.758 4.193) 12.484 5.411 ( -0.000 -0.094 18.014) 18.014 6.073 ( -0.000 -4.196 -4.426) 6.099 6.122 ( 0.000 7.524 -16.050) 17.726 6.925 ( -0.000 -16.021 -3.741) 16.452 7.231 ( -0.000 -2.229 6.302) 6.685 7.456 ( -0.000 -1.291 -0.033) 1.291 7.949 ( 0.000 16.977 14.646) 22.422 8.119 ( -0.000 -3.308 5.644) 6.542 8.376 ( -0.000 -18.880 -3.868) 19.272 8.407 ( -0.000 -3.863 13.771) 14.303 9.037 ( -0.000 -32.234 10.454) 33.887 9.509 ( -0.000 -13.585 -7.453) 15.495 9.999 ( -0.000 -3.727 5.198) 6.396 10.279 ( -0.000 -4.508 -0.654) 4.555 10.678 ( -0.000 -0.394 -10.066) 10.074 10.685 ( -0.000 -3.895 5.244) 6.532 11.105 ( 0.000 1.546 0.138) 1.552 11.386 ( -0.000 -4.894 -15.401) 16.160 11.757 ( -0.000 -12.949 -2.531) 13.194 11.883 ( -0.000 -3.675 8.405) 9.173 11.975 ( -0.000 -3.107 -4.004) 5.068 12.073 ( -0.000 -2.118 3.236) 3.868 12.409 ( 0.000 10.039 -10.022) 14.185 12.549 ( 0.000 0.148 -3.183) 3.187 12.917 ( 0.000 14.367 -9.776) 17.378 13.388 ( -0.000 -10.146 -5.846) 11.710 13.710 ( -0.000 -4.098 -7.107) 8.204 14.131 ( -0.000 -5.901 -0.502) 5.922 14.297 ( 0.000 3.769 8.920) 9.684 14.462 ( 0.000 3.372 -3.733) 5.030 15.097 ( 0.000 0.187 1.469) 1.481 15.236 ( 0.000 5.167 -2.869) 5.910 15.468 ( -0.000 -2.606 5.428) 6.021 15.694 ( -0.000 -3.798 4.419) 5.827 15.704 ( 0.000 0.049 -1.629) 1.630 15.751 ( 0.000 0.211 4.140) 4.145 16.317 ( -0.000 -4.463 -0.619) 4.506 16.618 ( 0.000 6.973 -3.781) 7.932 17.239 ( 0.000 4.105 -1.713) 4.449 18.253 ( 0.000 7.874 -16.718) 18.479 20.304 ( 0.000 2.960 -2.567) 3.918 20.987 ( 0.000 6.559 2.689) 7.089 21.325 ( 0.000 1.265 25.461) 25.492 21.348 ( 0.000 7.370 5.743) 9.344 22.730 ( 0.000 6.283 5.463) 8.326 22.751 ( 0.000 11.688 -5.654) 12.984 23.456 ( 0.000 4.867 -1.754) 5.173 24.066 ( -0.000 -9.353 -5.033) 10.621 ======================= Grid point 121 (49/125) ======================= q-point: ( 0.44 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.056 ( 22.338 -0.000 1.133) 22.367 4.185 ( 17.191 -0.000 22.438) 28.267 4.803 ( -15.415 0.000 -14.567) 21.209 4.840 ( -6.460 0.000 0.454) 6.476 4.868 ( -4.813 0.000 7.661) 9.047 5.142 ( -0.876 0.000 3.134) 3.254 5.359 ( -4.599 0.000 -7.495) 8.794 5.778 ( 5.057 -0.000 9.572) 10.826 6.339 ( -11.874 0.000 -2.470) 12.128 6.964 ( 0.671 -0.000 22.275) 22.285 7.007 ( 4.040 -0.000 6.934) 8.025 7.586 ( 0.283 -0.000 -5.736) 5.743 7.650 ( 11.093 -0.000 10.163) 15.045 7.908 ( -5.838 0.000 9.161) 10.863 7.980 ( -4.627 0.000 5.725) 7.361 8.475 ( -15.145 0.000 13.283) 20.145 8.591 ( 4.101 -0.000 2.701) 4.911 9.233 ( 15.077 -0.000 -0.771) 15.096 9.949 ( 1.268 -0.000 -9.888) 9.969 10.250 ( -0.648 0.000 -7.732) 7.760 10.456 ( -21.236 0.000 -2.988) 21.446 10.747 ( 0.679 -0.000 -7.794) 7.823 10.773 ( 8.322 -0.000 6.964) 10.852 11.452 ( -10.321 0.000 -12.723) 16.383 11.635 ( 0.125 -0.000 1.205) 1.211 11.800 ( -5.131 0.000 -0.930) 5.215 11.833 ( -8.641 0.000 8.055) 11.813 11.892 ( 3.215 -0.000 4.447) 5.488 12.372 ( 2.550 -0.000 1.787) 3.114 12.930 ( 10.571 -0.000 -16.403) 19.514 13.040 ( 3.701 -0.000 -6.887) 7.818 13.418 ( -0.789 0.000 -22.691) 22.705 13.589 ( 0.442 -0.000 2.002) 2.050 13.833 ( -3.528 0.000 1.286) 3.756 14.181 ( 17.422 -0.000 7.127) 18.823 14.863 ( -25.407 0.000 2.263) 25.507 15.014 ( 4.092 -0.000 -3.991) 5.716 15.291 ( 4.740 -0.000 8.725) 9.929 15.498 ( -8.654 0.000 -1.117) 8.725 15.618 ( -2.720 0.000 4.210) 5.012 15.674 ( -0.313 0.000 -2.481) 2.500 15.849 ( -0.548 0.000 2.775) 2.829 16.191 ( -0.371 0.000 -0.585) 0.692 16.777 ( 2.252 -0.000 -7.555) 7.883 17.335 ( -0.946 0.000 -10.730) 10.772 18.457 ( 2.114 -0.000 -8.805) 9.055 20.375 ( 1.084 -0.000 15.682) 15.719 21.007 ( -0.438 0.000 -2.621) 2.657 21.374 ( 10.832 -0.000 8.870) 14.001 21.686 ( -10.621 0.000 15.005) 18.384 22.840 ( 23.708 -0.000 -5.857) 24.420 23.006 ( 6.039 -0.000 3.950) 7.216 23.237 ( 2.219 -0.000 -3.174) 3.873 24.115 ( -16.824 0.000 -5.814) 17.801 ======================= Grid point 122 (50/125) ======================= q-point: (-0.44 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.277 ( -0.000 -4.216 2.914) 5.124 4.329 ( -0.000 -1.526 25.854) 25.899 4.436 ( 0.000 25.349 -11.267) 27.740 4.708 ( 0.000 2.329 -14.018) 14.210 4.709 ( 0.000 20.706 19.153) 28.206 5.272 ( -0.000 -12.095 3.837) 12.689 5.318 ( 0.000 1.676 -4.721) 5.010 5.911 ( -0.000 -7.419 5.711) 9.363 6.221 ( -0.000 -0.103 -5.005) 5.006 6.818 ( 0.000 10.448 12.001) 15.912 7.146 ( -0.000 -7.636 11.140) 13.506 7.448 ( 0.000 7.976 2.756) 8.439 7.895 ( -0.000 -9.329 6.149) 11.173 7.970 ( -0.000 -3.524 5.949) 6.914 8.081 ( -0.000 -25.208 7.560) 26.317 8.346 ( 0.000 0.255 11.987) 11.990 8.786 ( -0.000 -19.583 3.040) 19.817 9.000 ( 0.000 34.742 0.355) 34.744 10.164 ( 0.000 5.986 -7.223) 9.381 10.254 ( -0.000 -24.091 -8.664) 25.601 10.319 ( -0.000 -0.493 -6.250) 6.270 10.645 ( 0.000 5.518 4.259) 6.971 10.967 ( -0.000 -9.571 -1.262) 9.654 11.352 ( 0.000 1.182 -13.858) 13.908 11.601 ( 0.000 2.366 0.879) 2.524 11.771 ( -0.000 -2.133 8.535) 8.798 11.842 ( -0.000 -5.756 -1.091) 5.859 11.942 ( -0.000 -3.293 4.229) 5.360 12.399 ( -0.000 -1.113 1.496) 1.865 12.926 ( 0.000 9.753 -17.352) 19.906 13.122 ( -0.000 -5.992 -6.690) 8.981 13.311 ( 0.000 10.686 -15.117) 18.513 13.615 ( -0.000 -2.229 -5.079) 5.547 13.880 ( -0.000 -8.102 1.638) 8.266 14.403 ( 0.000 2.033 10.035) 10.239 14.550 ( 0.000 1.977 -1.240) 2.334 15.061 ( -0.000 -1.665 -2.406) 2.926 15.367 ( 0.000 2.782 -2.811) 3.955 15.376 ( -0.000 -1.739 9.370) 9.530 15.614 ( -0.000 -1.372 4.059) 4.284 15.678 ( -0.000 -0.730 -1.726) 1.874 15.831 ( 0.000 2.033 2.359) 3.114 16.207 ( -0.000 -2.308 -0.822) 2.450 16.772 ( 0.000 2.833 -7.534) 8.049 17.319 ( 0.000 1.254 -9.294) 9.379 18.443 ( 0.000 3.765 -10.143) 10.820 20.372 ( 0.000 1.407 11.773) 11.857 21.017 ( -0.000 -1.395 0.263) 1.420 21.490 ( 0.000 5.224 18.211) 18.946 21.508 ( 0.000 2.855 6.120) 6.753 22.959 ( 0.000 8.441 3.455) 9.121 23.003 ( 0.000 4.452 -6.080) 7.536 23.346 ( -0.000 -9.450 -2.564) 9.792 23.966 ( 0.000 0.891 -5.003) 5.082 ======================= Grid point 162 (51/125) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( 0.000 0.000 40.579) 40.579 1.713 ( 0.000 0.000 42.774) 42.774 3.134 ( 0.000 0.000 70.875) 70.875 3.697 ( 0.000 0.000 19.436) 19.436 5.080 ( 0.000 0.000 -30.600) 30.600 5.280 ( 0.000 0.000 33.529) 33.529 5.340 ( 0.000 0.000 -25.442) 25.442 6.280 ( 0.000 0.000 1.535) 1.535 7.266 ( 0.000 0.000 10.895) 10.895 7.309 ( 0.000 0.000 2.509) 2.509 7.633 ( 0.000 0.000 1.276) 1.276 8.328 ( 0.000 0.000 -27.460) 27.460 8.697 ( 0.000 0.000 -2.492) 2.492 8.801 ( 0.000 0.000 19.673) 19.673 8.834 ( 0.000 0.000 20.808) 20.808 9.010 ( 0.000 0.000 -21.550) 21.550 9.095 ( 0.000 0.000 9.858) 9.858 9.594 ( 0.000 0.000 3.016) 3.016 9.600 ( 0.000 0.000 -13.820) 13.820 10.207 ( 0.000 0.000 -2.266) 2.266 10.739 ( 0.000 0.000 -23.479) 23.479 10.764 ( 0.000 0.000 -6.641) 6.641 11.071 ( 0.000 0.000 -10.339) 10.339 11.614 ( 0.000 0.000 1.180) 1.180 11.772 ( 0.000 0.000 5.373) 5.373 11.974 ( 0.000 0.000 16.234) 16.234 12.444 ( 0.000 0.000 -0.015) 0.015 12.592 ( 0.000 0.000 10.552) 10.552 12.787 ( 0.000 0.000 -0.389) 0.389 12.952 ( 0.000 0.000 1.388) 1.388 13.371 ( 0.000 0.000 4.242) 4.242 13.538 ( 0.000 0.000 -3.961) 3.961 13.736 ( 0.000 0.000 -6.048) 6.048 13.911 ( 0.000 0.000 -2.586) 2.586 14.001 ( 0.000 0.000 -13.550) 13.550 14.248 ( 0.000 0.000 -12.498) 12.498 14.388 ( 0.000 0.000 7.233) 7.233 14.825 ( 0.000 0.000 -0.199) 0.199 15.510 ( 0.000 0.000 4.312) 4.312 15.646 ( 0.000 0.000 -4.723) 4.723 16.109 ( 0.000 0.000 6.822) 6.822 16.417 ( 0.000 0.000 8.027) 8.027 16.538 ( 0.000 0.000 3.012) 3.012 16.587 ( 0.000 0.000 -1.959) 1.959 16.663 ( 0.000 0.000 2.660) 2.660 16.902 ( 0.000 0.000 -2.910) 2.910 20.196 ( 0.000 0.000 -2.894) 2.894 20.612 ( 0.000 0.000 -18.522) 18.522 20.896 ( 0.000 0.000 7.669) 7.669 21.679 ( 0.000 0.000 -7.477) 7.477 22.152 ( 0.000 0.000 6.488) 6.488 22.568 ( 0.000 0.000 -3.868) 3.868 23.226 ( 0.000 0.000 22.717) 22.717 24.642 ( 0.000 0.000 -8.127) 8.127 ======================= Grid point 163 (52/125) ======================= q-point: ( 0.11 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( 4.513 -8.395 36.780) 37.995 1.898 ( 11.333 -15.582 36.877) 41.607 3.457 ( 19.292 -16.280 61.360) 66.349 3.876 ( 16.235 -8.008 16.946) 24.796 4.977 ( -5.435 5.674 -26.598) 27.734 5.218 ( -7.109 -0.127 4.657) 8.500 5.389 ( 2.901 -1.213 4.395) 5.404 6.272 ( 2.947 3.179 2.407) 4.959 7.034 ( -13.277 15.615 1.843) 20.579 7.263 ( 6.375 6.916 8.703) 12.815 7.709 ( 0.185 -8.372 0.308) 8.380 8.249 ( -22.211 -1.846 -4.289) 22.697 8.482 ( -16.460 12.884 3.570) 21.205 8.687 ( -7.790 6.593 -3.931) 10.936 8.888 ( 3.919 0.447 -4.907) 6.296 8.942 ( 13.585 -1.220 1.777) 13.755 9.210 ( -0.343 -0.954 7.516) 7.584 9.436 ( 13.624 10.866 -8.911) 19.572 9.859 ( -1.828 -9.030 -2.901) 9.659 10.260 ( -0.322 -1.893 -0.995) 2.163 10.714 ( 9.898 -3.635 -13.610) 17.217 10.835 ( -4.921 -5.356 -13.170) 15.045 11.149 ( -1.845 -9.064 -10.971) 14.350 11.604 ( 1.023 3.285 1.194) 3.642 11.780 ( -2.631 0.216 7.883) 8.313 11.877 ( -11.783 -1.427 12.503) 17.239 12.359 ( -0.476 12.561 -1.072) 12.616 12.438 ( -3.447 8.337 11.028) 14.248 12.594 ( -16.854 2.063 2.681) 17.190 12.972 ( 1.711 -0.578 -2.163) 2.818 13.356 ( -6.068 4.904 -0.553) 7.822 13.401 ( -6.709 3.591 -2.554) 8.027 13.720 ( -12.076 1.292 0.318) 12.149 13.895 ( 15.984 8.501 -10.099) 20.730 14.096 ( 8.615 -3.293 -8.340) 12.434 14.160 ( -13.889 -9.502 -3.590) 17.207 14.643 ( 12.612 -6.254 -3.672) 14.549 14.873 ( 4.271 -4.085 -0.922) 5.981 15.517 ( 0.938 1.012 1.727) 2.211 15.718 ( 3.146 -4.443 -2.766) 6.106 16.201 ( 12.986 2.150 6.118) 14.516 16.369 ( -3.515 3.267 8.110) 9.424 16.478 ( 1.042 7.537 4.331) 8.755 16.540 ( -1.077 -5.850 -0.693) 5.988 16.808 ( 5.212 -6.422 0.923) 8.323 17.046 ( 11.222 -6.271 -8.105) 15.197 20.242 ( 7.093 1.324 -3.671) 8.096 20.582 ( 1.094 3.960 -13.923) 14.517 20.926 ( 0.502 -2.520 7.633) 8.054 21.577 ( -17.666 -6.120 -0.457) 18.701 22.143 ( -0.478 0.424 8.693) 8.717 22.613 ( 1.556 -4.138 -3.291) 5.511 23.138 ( -1.047 7.960 23.233) 24.581 24.662 ( 5.138 3.600 -11.347) 12.966 ======================= Grid point 164 (53/125) ======================= q-point: ( 0.22 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.157 ( 18.704 -24.114 22.399) 37.856 2.412 ( 17.199 -23.777 28.501) 40.908 3.956 ( 19.487 -7.670 27.614) 34.657 4.258 ( 14.403 -8.592 16.841) 23.767 4.962 ( 9.686 -7.391 -4.468) 12.977 5.096 ( -8.707 2.358 2.936) 9.486 5.386 ( -0.461 4.009 9.514) 10.335 6.285 ( 4.852 4.171 7.529) 9.881 6.605 ( -10.360 14.091 -4.920) 18.168 7.302 ( 10.618 3.932 9.935) 15.064 7.658 ( -23.689 12.275 3.527) 26.912 7.913 ( -0.975 -1.682 -2.225) 2.955 8.074 ( -22.048 6.221 -6.288) 23.756 8.504 ( -13.016 -1.257 3.796) 13.617 8.872 ( -1.125 6.994 -4.767) 8.539 9.100 ( 6.521 7.549 -17.098) 19.795 9.196 ( 6.997 -0.249 4.856) 8.520 9.576 ( 9.558 5.206 7.861) 13.426 9.808 ( -7.721 -6.734 0.669) 10.267 10.326 ( 0.127 -10.115 -3.651) 10.755 10.691 ( -17.234 3.573 -4.975) 18.290 11.106 ( 18.369 -11.648 -10.145) 24.001 11.203 ( -6.632 -3.353 -10.164) 12.591 11.537 ( -0.622 5.403 2.224) 5.876 11.605 ( -11.831 -0.894 8.844) 14.798 11.830 ( -3.365 -2.394 2.325) 4.739 12.089 ( -2.998 14.895 -0.066) 15.194 12.350 ( 0.249 4.352 2.383) 4.968 12.438 ( -1.950 0.328 4.529) 4.941 12.957 ( -3.320 2.169 -6.431) 7.556 13.038 ( -5.187 17.476 -2.444) 18.393 13.267 ( -16.458 0.445 -5.348) 17.311 13.533 ( -13.039 -3.596 1.850) 13.652 14.011 ( 14.032 4.997 -7.373) 16.621 14.125 ( -4.936 -3.926 -4.609) 7.812 14.224 ( 5.318 1.463 -6.012) 8.159 14.892 ( 7.515 -10.123 -1.377) 12.683 15.059 ( 6.206 -7.987 0.166) 10.116 15.512 ( 0.461 0.110 0.266) 0.544 15.793 ( 1.260 -0.835 -2.000) 2.507 16.276 ( 5.110 7.249 4.086) 9.765 16.290 ( -1.109 4.347 7.779) 8.980 16.391 ( 1.718 1.718 5.824) 6.310 16.701 ( 5.195 -5.806 0.240) 7.795 17.031 ( 10.693 -10.064 -1.993) 14.819 17.334 ( 15.025 -5.739 -13.422) 20.948 20.300 ( 8.020 7.311 -4.547) 11.766 20.587 ( 5.590 -0.728 -5.563) 7.920 20.948 ( -3.241 -2.167 7.489) 8.443 21.450 ( -17.448 -10.503 2.677) 20.541 22.137 ( 0.190 -0.277 14.860) 14.864 22.705 ( 1.621 -2.925 2.520) 4.187 23.033 ( -0.261 2.572 14.830) 15.054 24.650 ( 3.919 6.524 -13.718) 15.688 ======================= Grid point 165 (54/125) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.830 ( 19.271 -25.508 15.997) 35.748 3.056 ( 18.347 -26.984 22.423) 39.593 4.079 ( 4.664 6.832 -0.263) 8.276 4.647 ( 13.686 -6.440 21.083) 25.947 4.882 ( -9.394 7.589 5.950) 13.463 5.170 ( 3.049 -0.571 28.327) 28.496 5.545 ( 23.022 -9.768 -6.400) 25.815 6.102 ( -10.450 8.560 6.990) 15.210 6.519 ( 8.422 1.412 -6.118) 10.505 7.108 ( -15.064 11.935 4.228) 19.679 7.381 ( -9.857 3.632 1.468) 10.607 7.718 ( -6.484 2.446 -7.325) 10.083 7.898 ( -6.037 3.231 -6.209) 9.243 8.438 ( -2.828 -5.334 4.061) 7.276 8.716 ( -0.724 10.855 4.112) 11.630 8.921 ( -8.229 7.455 -11.024) 15.647 9.232 ( -6.097 -1.018 3.968) 7.346 9.554 ( 9.973 7.201 11.607) 16.913 9.999 ( -0.412 -12.893 3.233) 13.298 10.328 ( -17.345 5.558 2.124) 18.338 10.481 ( -2.060 -8.550 -1.561) 8.932 10.998 ( -9.843 4.655 -10.161) 14.893 11.444 ( -2.124 -0.697 9.524) 9.783 11.471 ( 5.133 1.868 -5.055) 7.442 11.629 ( 9.209 -5.722 -7.952) 13.446 11.827 ( -2.654 -3.675 -0.487) 4.559 11.902 ( 0.928 6.005 -3.487) 7.006 12.295 ( 2.441 4.961 -2.086) 5.909 12.432 ( 0.202 2.134 1.879) 2.850 12.731 ( -5.902 10.084 -4.752) 12.613 12.841 ( -3.727 6.901 -6.614) 10.259 13.003 ( -15.692 0.967 -7.892) 17.591 13.440 ( -8.078 -2.776 2.676) 8.951 14.107 ( 5.430 1.679 -2.065) 6.047 14.136 ( -3.410 -4.868 -6.606) 8.886 14.246 ( 7.541 5.700 -7.087) 11.815 15.146 ( 3.667 -10.482 -1.967) 11.278 15.238 ( 5.239 -5.875 4.232) 8.937 15.545 ( 2.363 -1.671 -0.905) 3.032 15.791 ( 0.077 1.974 -1.661) 2.581 16.132 ( -2.220 9.479 5.021) 10.954 16.273 ( 1.780 0.048 2.733) 3.262 16.441 ( 3.651 -0.617 8.181) 8.980 16.791 ( -0.244 -2.199 4.217) 4.762 17.360 ( 13.233 -7.875 -4.068) 15.927 17.605 ( 11.796 -4.024 -16.769) 20.893 20.259 ( 3.716 7.257 -0.958) 8.209 20.749 ( 11.345 -2.627 -4.063) 12.334 20.910 ( -4.867 -1.802 5.321) 7.433 21.368 ( -14.702 -7.170 -0.616) 16.368 22.169 ( 1.646 -2.274 24.161) 24.324 22.693 ( -1.215 3.810 12.164) 12.804 23.090 ( 1.901 -6.677 0.364) 6.952 24.586 ( 1.706 6.558 -13.960) 15.518 ======================= Grid point 166 (55/125) ======================= q-point: ( 0.44 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.411 ( 14.168 -19.411 13.550) 27.588 3.640 ( 7.485 -15.483 18.185) 25.028 3.980 ( 1.243 6.531 12.310) 13.991 4.452 ( -10.497 17.373 27.806) 34.427 4.893 ( 4.791 -10.434 5.153) 12.585 5.195 ( -2.797 11.526 10.195) 15.640 5.947 ( 16.641 -6.579 -8.918) 19.993 6.083 ( 4.855 -7.301 9.366) 12.830 6.595 ( 5.284 2.079 -5.950) 8.225 6.898 ( -2.098 2.844 -3.213) 4.776 6.989 ( -21.641 4.593 -7.638) 23.404 7.537 ( -9.573 6.451 -12.854) 17.277 7.991 ( 13.758 -4.206 6.768) 15.899 8.341 ( -11.086 6.133 9.009) 15.547 8.574 ( -0.199 3.500 6.192) 7.116 8.943 ( 5.367 -7.581 -7.687) 12.057 9.113 ( -7.291 -0.459 11.853) 13.923 9.574 ( 6.508 9.718 6.782) 13.520 9.839 ( -16.569 0.237 6.806) 17.914 10.361 ( 11.246 -2.193 4.730) 12.396 10.493 ( -10.342 -6.059 -0.332) 11.991 10.873 ( -1.385 2.742 -8.695) 9.221 11.419 ( -3.090 -3.234 4.767) 6.537 11.454 ( 2.610 5.057 1.632) 5.920 11.735 ( 0.870 -1.137 0.700) 1.594 11.797 ( 0.428 4.102 -12.544) 13.205 12.060 ( 5.119 -10.999 -7.527) 14.277 12.258 ( 2.950 5.240 -4.015) 7.231 12.373 ( 0.990 4.551 -5.091) 6.899 12.553 ( -7.382 2.251 -5.125) 9.264 12.712 ( -0.968 3.576 -3.452) 5.064 12.847 ( -5.515 -0.328 -9.883) 11.322 13.388 ( -2.917 -0.841 2.924) 4.215 14.130 ( 3.035 2.441 -0.387) 3.914 14.144 ( -3.982 -3.616 -3.210) 6.264 14.279 ( 4.211 2.118 -10.606) 11.606 15.243 ( -0.586 -2.167 0.925) 2.428 15.436 ( 4.856 -7.289 -2.485) 9.104 15.598 ( 1.659 -0.524 3.032) 3.496 15.735 ( -1.323 4.028 0.390) 4.258 15.992 ( -1.940 3.549 4.705) 6.204 16.309 ( 1.372 -0.712 -2.075) 2.588 16.491 ( 1.957 -0.283 8.962) 9.178 16.790 ( -1.213 -0.179 8.143) 8.235 17.580 ( 5.362 -2.806 -3.958) 7.232 17.765 ( 4.426 -1.466 -18.434) 19.015 20.215 ( 1.080 2.631 1.215) 3.092 20.840 ( -1.055 -0.076 2.620) 2.825 20.993 ( 11.110 -2.184 -4.920) 12.346 21.234 ( -12.904 -1.609 -1.718) 13.117 22.231 ( 1.323 -1.981 33.099) 33.185 22.616 ( -1.273 2.517 9.655) 10.058 23.205 ( 1.168 -3.762 -3.153) 5.046 24.523 ( 0.341 2.956 -13.692) 14.012 ======================= Grid point 172 (56/125) ======================= q-point: ( 0.11 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( 12.436 -0.000 37.599) 39.602 1.917 ( 20.748 -0.000 30.519) 36.904 3.810 ( 40.326 -0.000 56.058) 69.056 4.106 ( 23.746 -0.000 9.224) 25.475 4.935 ( -5.598 0.000 -27.672) 28.232 5.100 ( -8.336 0.000 -10.799) 13.642 5.442 ( 5.952 -0.000 25.456) 26.142 6.341 ( 3.752 -0.000 4.012) 5.493 6.925 ( -18.551 0.000 -4.198) 19.020 7.395 ( 4.351 -0.000 8.088) 9.184 7.602 ( -8.685 0.000 2.578) 9.060 7.887 ( -19.703 0.000 -1.840) 19.789 8.322 ( -18.282 0.000 11.173) 21.426 8.600 ( -17.187 0.000 -13.293) 21.728 8.882 ( -10.535 0.000 7.339) 12.839 9.115 ( 9.905 -0.000 -9.929) 14.025 9.199 ( 17.688 -0.000 6.051) 18.695 9.777 ( 7.893 -0.000 -4.628) 9.150 9.808 ( 1.116 -0.000 -8.967) 9.036 10.304 ( 2.507 -0.000 1.626) 2.988 10.610 ( -8.287 0.000 -5.193) 9.779 10.790 ( 5.821 -0.000 -19.701) 20.543 11.036 ( -8.667 0.000 -5.415) 10.220 11.638 ( -13.873 0.000 14.101) 19.781 11.660 ( 2.562 -0.000 1.886) 3.181 11.804 ( 1.695 -0.000 2.278) 2.840 12.329 ( -16.561 0.000 4.408) 17.138 12.395 ( -11.086 0.000 5.928) 12.571 12.477 ( 2.482 -0.000 -2.345) 3.414 12.929 ( -4.319 0.000 -3.496) 5.557 13.246 ( -8.527 0.000 2.915) 9.011 13.294 ( -12.331 0.000 -4.174) 13.018 13.774 ( -8.991 0.000 1.355) 9.093 13.775 ( -5.935 0.000 -5.036) 7.784 14.155 ( 5.739 -0.000 -7.766) 9.656 14.324 ( 23.142 -0.000 -11.552) 25.866 14.717 ( 5.132 -0.000 -3.240) 6.069 14.891 ( 4.928 -0.000 -0.805) 4.994 15.549 ( 0.202 -0.000 2.099) 2.109 15.728 ( 4.085 -0.000 -1.603) 4.389 16.326 ( -0.592 0.000 9.521) 9.540 16.351 ( -6.674 0.000 2.509) 7.130 16.496 ( 7.173 -0.000 6.895) 9.949 16.657 ( 14.773 -0.000 -7.113) 16.396 16.728 ( -3.632 0.000 1.997) 4.145 17.268 ( 21.417 -0.000 -7.074) 22.555 20.412 ( 15.119 -0.000 -3.619) 15.546 20.645 ( 2.750 -0.000 -15.493) 15.735 20.939 ( 2.811 -0.000 6.532) 7.111 21.237 ( -20.304 0.000 13.350) 24.299 22.139 ( -0.297 0.000 6.808) 6.815 22.614 ( 3.269 -0.000 -4.496) 5.559 23.158 ( -4.460 0.000 22.901) 23.331 24.758 ( 3.256 -0.000 -16.621) 16.937 ======================= Grid point 173 (57/125) ======================= q-point: ( 0.22 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.194 ( 24.637 -13.666 26.007) 38.342 2.390 ( 26.873 -13.718 23.748) 38.397 4.323 ( 22.984 8.070 6.415) 25.190 4.467 ( 29.584 -3.355 21.800) 36.902 4.966 ( 2.133 -7.580 -11.191) 13.684 5.013 ( 1.661 -0.209 -0.981) 1.940 5.526 ( 11.083 4.138 26.322) 28.858 6.363 ( -2.542 3.186 12.246) 12.906 6.623 ( -8.673 6.569 -11.826) 16.069 7.269 ( -36.241 -3.339 4.500) 36.672 7.395 ( -5.863 1.071 11.080) 12.581 7.806 ( -2.000 1.440 -5.466) 5.996 8.050 ( -5.053 6.471 -3.083) 8.770 8.311 ( -13.750 1.770 0.435) 13.871 8.795 ( -11.350 -6.422 4.842) 13.911 9.219 ( 2.320 1.992 -8.180) 8.733 9.405 ( 10.362 6.505 1.509) 12.328 9.607 ( -9.340 3.579 -3.088) 10.468 9.877 ( 3.675 7.345 6.609) 10.542 10.232 ( 4.169 -2.463 -5.424) 7.271 10.508 ( -19.806 4.166 -1.952) 20.334 10.878 ( -8.146 -11.873 -1.980) 14.534 11.102 ( 4.657 -16.633 -10.755) 20.348 11.493 ( -0.332 6.123 1.238) 6.256 11.672 ( 2.626 2.994 1.643) 4.308 11.798 ( -1.519 2.075 0.225) 2.582 12.116 ( -9.599 2.178 2.126) 10.070 12.323 ( -6.086 -7.762 0.603) 9.882 12.461 ( 3.042 6.358 -1.190) 7.148 12.834 ( -12.701 -2.253 -7.656) 15.000 13.049 ( -11.638 5.057 -2.199) 12.878 13.143 ( -10.245 2.715 -4.719) 11.602 13.494 ( -0.483 10.929 3.522) 11.493 13.896 ( -5.167 -11.395 -4.330) 13.240 14.187 ( 2.447 2.351 -4.425) 5.577 14.532 ( 14.729 9.847 -12.147) 21.482 14.841 ( 7.027 -7.131 1.063) 10.068 15.038 ( 7.652 -6.123 0.608) 9.819 15.530 ( 0.054 1.031 0.485) 1.141 15.791 ( 1.282 -1.235 -0.598) 1.878 16.258 ( -3.308 0.161 5.780) 6.661 16.349 ( -4.145 -6.454 5.862) 9.654 16.481 ( -2.223 10.079 1.588) 10.443 16.626 ( -0.188 -2.209 3.813) 4.411 17.025 ( 12.523 -11.965 -7.249) 18.776 17.565 ( 19.640 0.288 -9.265) 21.718 20.570 ( 9.148 10.251 -5.650) 14.856 20.716 ( 14.803 -0.555 -5.933) 15.958 20.920 ( -2.455 2.536 9.471) 10.108 21.118 ( -7.351 -9.227 9.395) 15.081 22.142 ( 1.214 0.345 9.397) 9.481 22.702 ( 4.979 -3.079 -3.334) 6.738 23.055 ( -4.306 3.480 20.963) 21.682 24.744 ( -1.358 3.160 -17.105) 17.448 ======================= Grid point 174 (58/125) ======================= q-point: ( 0.33 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.818 ( 24.965 -19.082 18.512) 36.470 3.023 ( 28.080 -16.907 19.535) 38.157 4.341 ( 10.409 11.574 -8.395) 17.686 4.825 ( 6.229 6.153 11.574) 14.513 4.853 ( -2.192 3.880 -2.019) 4.893 5.354 ( 23.836 -3.300 35.401) 42.805 5.755 ( 22.819 -3.455 1.999) 23.166 6.049 ( -17.324 10.586 9.656) 22.482 6.622 ( 3.250 -0.498 -4.777) 5.800 6.850 ( -26.465 -7.862 -0.470) 27.612 7.127 ( -23.230 5.090 -0.949) 23.800 7.756 ( -3.415 3.820 -8.952) 10.315 7.928 ( 4.472 4.126 1.689) 6.314 8.342 ( 5.344 -9.051 1.612) 10.633 8.678 ( -13.754 -0.339 9.981) 16.997 9.036 ( -7.938 16.717 -10.226) 21.143 9.181 ( -6.834 7.570 9.818) 14.157 9.643 ( -12.827 -16.150 8.010) 22.125 9.857 ( 12.005 8.655 9.943) 17.830 10.136 ( -18.788 2.067 4.037) 19.328 10.453 ( 10.232 -7.037 -6.538) 14.034 10.889 ( -8.091 -4.604 -13.115) 16.083 11.247 ( -4.914 -2.291 -2.422) 5.938 11.577 ( 4.578 -4.008 -4.118) 7.347 11.666 ( 2.819 -2.859 -1.627) 4.333 11.727 ( -1.848 0.465 2.671) 3.281 12.026 ( 0.152 2.425 -3.799) 4.510 12.359 ( -3.458 2.453 -4.130) 5.919 12.397 ( -3.148 -4.208 1.718) 5.529 12.653 ( -11.775 2.724 -11.808) 16.896 12.835 ( -7.359 2.831 -6.180) 10.018 12.917 ( -8.334 7.478 -5.571) 12.507 13.424 ( 4.562 4.191 5.076) 8.009 13.976 ( -3.843 -7.481 -4.291) 9.442 14.176 ( 0.313 0.983 -1.592) 1.897 14.516 ( 7.468 10.755 -10.941) 17.063 15.074 ( 7.993 -7.270 0.469) 10.815 15.233 ( 6.756 -5.252 4.751) 9.787 15.547 ( 1.550 -1.755 -1.060) 2.570 15.797 ( -0.950 0.129 -0.075) 0.962 16.180 ( -7.611 4.753 2.122) 9.221 16.304 ( -0.354 3.812 0.456) 3.855 16.409 ( -3.988 -7.150 6.929) 10.726 16.662 ( -3.546 -4.878 5.764) 8.342 17.331 ( 4.465 -11.473 -8.197) 14.791 17.784 ( 13.252 2.040 -11.674) 17.778 20.453 ( 1.834 11.639 2.852) 12.123 20.882 ( 1.990 1.919 4.751) 5.497 20.995 ( 22.305 1.502 -5.806) 23.097 21.162 ( -3.060 -4.409 4.076) 6.739 22.167 ( 2.296 -0.460 16.689) 16.853 22.762 ( 1.559 4.208 10.297) 11.232 23.031 ( 2.181 -5.102 4.632) 7.228 24.641 ( -5.105 3.919 -15.601) 16.877 ======================= Grid point 175 (59/125) ======================= q-point: ( 0.44 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.411 ( 20.989 -15.476 14.664) 29.918 3.625 ( 22.475 -12.376 19.194) 32.043 4.188 ( -0.610 20.233 9.730) 22.459 4.626 ( -6.092 18.183 16.048) 25.006 4.868 ( 10.312 -5.369 4.202) 12.362 5.371 ( -7.286 17.931 13.654) 23.687 5.894 ( -4.902 -6.948 4.362) 9.557 6.097 ( 6.576 -6.007 -4.220) 9.856 6.554 ( -17.495 -1.217 -11.759) 21.115 6.725 ( -0.514 -6.822 2.229) 7.196 6.976 ( 9.647 -0.661 -4.923) 10.851 7.518 ( -7.702 6.250 -9.181) 13.516 8.147 ( 14.333 -3.726 5.209) 15.699 8.295 ( -13.480 10.947 10.132) 20.105 8.528 ( -6.235 -0.523 11.424) 13.025 8.919 ( 1.901 -9.399 -3.448) 10.191 9.037 ( 1.408 2.113 9.831) 10.154 9.524 ( -17.760 0.688 7.802) 19.410 9.921 ( 8.879 1.534 5.890) 10.765 10.057 ( -8.565 -12.757 9.803) 18.227 10.638 ( 10.816 2.555 -5.886) 12.576 10.845 ( -3.168 -1.680 -12.692) 13.189 11.223 ( -6.627 -6.116 -1.615) 9.161 11.520 ( -2.128 5.073 2.276) 5.953 11.686 ( -4.718 -4.898 -1.551) 6.975 11.911 ( 2.883 -6.676 -9.964) 12.335 11.989 ( 4.359 4.241 -0.736) 6.126 12.247 ( -9.999 -3.525 0.616) 10.620 12.413 ( -7.860 8.996 -10.055) 15.615 12.450 ( 0.028 -4.823 -7.319) 8.765 12.725 ( -5.419 4.628 -6.847) 9.883 12.810 ( 2.733 -2.463 -9.677) 10.352 13.457 ( 7.774 3.509 4.261) 9.535 14.010 ( -3.947 -4.643 -2.361) 6.535 14.182 ( 0.614 -0.893 -0.397) 1.155 14.438 ( 3.636 9.948 -9.701) 14.363 15.237 ( 4.769 -2.117 0.314) 5.227 15.400 ( 4.999 -6.012 1.892) 8.044 15.601 ( 1.238 -1.806 0.912) 2.372 15.752 ( -3.959 3.016 0.413) 4.994 15.978 ( -7.397 3.168 3.112) 8.628 16.291 ( -2.719 -1.475 -1.749) 3.554 16.445 ( -3.627 -4.725 5.704) 8.247 16.675 ( -4.927 -5.305 8.016) 10.801 17.476 ( -5.295 -8.220 -7.556) 12.357 17.865 ( 4.981 4.539 -14.086) 15.615 20.314 ( 0.341 8.301 3.797) 9.134 20.902 ( 6.143 3.581 3.327) 7.850 21.106 ( -2.105 3.345 -2.551) 4.703 21.311 ( 23.681 3.465 -3.106) 24.134 22.210 ( 0.673 -1.702 27.369) 27.430 22.686 ( 1.326 5.776 12.051) 13.429 23.185 ( 5.230 -4.931 -2.902) 7.752 24.503 ( -7.728 1.566 -14.116) 16.169 ======================= Grid point 176 (60/125) ======================= q-point: (-0.44 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.637 ( -3.883 26.716 13.303) 30.096 3.809 ( 7.160 6.598 13.031) 16.267 3.920 ( -8.710 6.136 13.860) 17.482 4.459 ( 15.539 -5.923 30.358) 34.614 4.998 ( -2.880 10.806 14.076) 17.977 5.166 ( 5.941 -1.917 -4.833) 7.895 5.713 ( -20.063 -0.224 -2.157) 20.180 6.103 ( -4.680 2.998 2.423) 6.063 6.385 ( -12.201 -7.824 -13.424) 19.756 6.944 ( 3.016 2.960 5.319) 6.793 7.133 ( 14.629 -7.670 -8.628) 18.636 7.573 ( 8.963 -8.781 -6.933) 14.335 7.912 ( -10.017 8.064 5.659) 14.050 8.411 ( 9.702 -4.602 13.241) 17.048 8.460 ( -5.313 -3.147 6.464) 8.940 8.944 ( -4.996 -0.958 15.741) 16.542 9.261 ( 15.531 -1.583 -9.626) 18.340 9.376 ( -3.391 -5.091 3.411) 7.004 10.035 ( -6.186 -8.572 7.320) 12.858 10.156 ( 12.212 -3.225 7.105) 14.492 10.775 ( 2.288 -8.872 -6.349) 11.147 10.806 ( 5.378 8.198 0.854) 9.842 11.217 ( -11.428 -7.975 -4.528) 14.653 11.427 ( -3.555 0.797 1.881) 4.100 11.683 ( -5.583 -1.397 -7.786) 9.682 11.888 ( 3.249 3.882 -10.054) 11.256 12.056 ( -6.371 1.443 -4.799) 8.106 12.129 ( -3.984 -3.184 1.319) 5.268 12.315 ( 1.635 -2.090 0.267) 2.667 12.552 ( 1.875 -4.772 -10.209) 11.424 12.623 ( -5.554 -2.849 -6.266) 8.845 12.953 ( 11.338 -3.191 -10.497) 15.777 13.531 ( 9.686 3.139 2.631) 10.516 14.021 ( -2.923 -3.571 -0.597) 4.653 14.204 ( -0.515 -0.657 -1.864) 2.043 14.327 ( 2.740 9.524 -7.076) 12.177 15.294 ( 2.289 0.841 1.396) 2.810 15.463 ( -5.147 5.051 -6.265) 9.553 15.574 ( -3.511 1.260 3.495) 5.111 15.673 ( -1.242 -3.982 1.167) 4.332 15.935 ( -1.356 -3.920 5.832) 7.157 16.237 ( -8.718 -2.867 0.683) 9.202 16.452 ( -0.988 -0.338 3.664) 3.810 16.688 ( -6.590 -6.676 7.439) 11.972 17.435 ( -11.548 -2.613 -5.193) 12.928 17.790 ( -2.315 7.465 -16.895) 18.615 20.218 ( -0.603 4.255 1.568) 4.574 20.890 ( -1.054 6.290 -1.713) 6.604 21.035 ( 6.528 5.863 3.389) 9.406 21.578 ( 24.615 6.962 -4.823) 26.031 22.212 ( -3.076 -0.394 34.325) 34.465 22.659 ( 4.091 2.770 8.412) 9.756 23.266 ( 2.733 2.721 -3.624) 5.292 24.405 ( -8.262 -4.314 -12.998) 15.995 ======================= Grid point 177 (61/125) ======================= q-point: (-0.33 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.081 ( -9.467 33.844 14.693) 38.091 3.184 ( -22.846 26.953 19.668) 40.438 4.042 ( 6.938 -0.128 3.261) 7.667 4.693 ( -4.630 16.170 21.011) 26.914 4.907 ( 14.345 -9.073 22.344) 28.060 5.240 ( 5.395 -3.603 -8.802) 10.934 5.393 ( -16.888 13.944 13.179) 25.560 6.072 ( 0.108 -5.555 2.691) 6.173 6.344 ( -9.033 -6.026 -4.909) 11.916 7.058 ( 6.940 -12.073 5.391) 14.932 7.252 ( -8.661 -3.246 -5.213) 10.617 7.842 ( 4.209 -10.640 -7.358) 13.604 7.927 ( 15.090 -5.064 -1.801) 16.019 8.461 ( -5.776 -7.627 6.563) 11.602 8.558 ( 6.417 -0.193 13.040) 14.535 9.011 ( 9.109 -4.298 4.891) 11.197 9.318 ( -7.214 -1.972 5.922) 9.539 9.472 ( 11.668 8.740 -14.589) 20.625 10.012 ( -4.942 -3.775 2.743) 6.797 10.530 ( 22.911 -6.993 4.797) 24.430 10.665 ( -1.954 9.363 -0.793) 9.597 11.048 ( 7.064 -7.797 -4.216) 11.335 11.113 ( -18.068 -11.171 0.996) 21.266 11.414 ( -2.775 -4.704 1.465) 5.654 11.567 ( -6.535 0.416 -10.737) 12.576 11.897 ( 1.595 4.610 -2.395) 5.434 11.964 ( 4.915 1.894 -6.821) 8.618 12.180 ( -1.025 -5.604 0.388) 5.710 12.389 ( -0.150 -2.160 0.117) 2.169 12.579 ( -4.295 -9.387 -1.251) 10.398 12.735 ( 0.808 -10.623 -7.775) 13.190 13.213 ( 16.796 -3.692 -9.438) 19.617 13.630 ( 9.464 1.941 0.177) 9.663 14.033 ( -0.820 -0.800 0.705) 1.345 14.119 ( -4.056 5.483 -6.517) 9.433 14.304 ( 6.841 3.395 -1.716) 7.827 15.195 ( -12.284 8.675 -2.124) 15.188 15.253 ( -4.418 4.482 -0.482) 6.312 15.534 ( -1.608 0.777 -1.236) 2.172 15.729 ( -1.294 -4.619 -2.887) 5.598 16.009 ( -1.388 -6.854 7.479) 10.239 16.180 ( -6.005 -4.966 6.599) 10.212 16.424 ( -0.669 2.466 4.072) 4.808 16.667 ( -10.664 -5.989 4.216) 12.936 17.258 ( -10.885 3.775 -1.591) 11.630 17.593 ( -5.912 10.040 -19.707) 22.893 20.166 ( -1.889 0.333 -0.910) 2.123 20.727 ( -4.077 7.874 -4.011) 9.732 21.077 ( 9.406 6.068 7.304) 13.366 21.779 ( 22.360 10.688 -5.558) 25.399 22.154 ( -3.808 0.340 31.615) 31.846 22.698 ( 3.506 0.117 10.257) 10.841 23.182 ( -1.377 8.523 -2.709) 9.049 24.404 ( -6.826 -9.067 -11.738) 16.328 ======================= Grid point 178 (62/125) ======================= q-point: (-0.22 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.396 ( -11.081 30.875 21.446) 39.192 2.530 ( -13.955 26.820 25.274) 39.405 4.043 ( 3.606 12.652 13.055) 18.534 4.343 ( -4.777 21.374 26.684) 34.521 4.911 ( -13.313 6.998 -4.781) 15.782 5.197 ( 11.251 -2.195 21.709) 24.550 5.389 ( 3.987 -0.614 -5.133) 6.528 6.120 ( -6.331 -6.441 6.355) 11.044 6.481 ( 4.946 -17.160 -1.402) 17.913 7.051 ( -11.913 -4.828 6.675) 14.484 7.602 ( 13.935 -25.041 -3.781) 28.906 7.906 ( -3.315 -0.969 -5.225) 6.263 8.319 ( 19.010 -7.284 2.777) 20.547 8.543 ( -7.967 -15.447 6.671) 18.617 8.687 ( 11.202 -1.061 4.588) 12.151 9.056 ( -2.762 4.990 2.157) 6.097 9.279 ( -13.774 -8.105 8.195) 17.961 9.362 ( 5.714 18.388 -27.687) 33.725 10.081 ( 15.015 2.824 2.098) 15.421 10.478 ( -1.939 10.888 -1.655) 11.183 10.788 ( -20.598 -2.211 -4.351) 21.169 10.899 ( 6.963 -1.696 -2.050) 7.454 11.344 ( 8.409 -3.288 -3.974) 9.865 11.421 ( -2.907 -2.574 -7.930) 8.829 11.683 ( 2.984 -16.565 10.845) 20.023 11.893 ( 0.980 -3.767 0.078) 3.894 11.999 ( 7.960 5.734 -3.192) 10.317 12.262 ( -3.179 -3.800 2.923) 5.753 12.425 ( 5.055 -6.850 -1.203) 8.598 12.714 ( -8.769 -16.322 -5.572) 19.348 12.932 ( 3.784 -11.769 0.256) 12.365 13.461 ( 10.101 -0.718 -5.979) 11.760 13.717 ( 1.508 -0.791 -3.982) 4.331 13.961 ( 7.432 10.639 -2.433) 13.204 14.076 ( -0.116 -1.154 -2.271) 2.550 14.368 ( 8.484 3.055 -0.334) 9.024 14.890 ( -12.200 8.379 -5.762) 15.883 15.045 ( -11.185 5.760 -2.944) 12.921 15.521 ( 0.708 0.621 0.085) 0.946 15.766 ( -1.240 -2.312 -3.891) 4.692 16.060 ( -5.685 -6.026 6.107) 10.292 16.236 ( 0.151 -6.870 12.431) 14.203 16.373 ( -0.186 2.405 5.583) 6.081 16.576 ( -10.328 -3.270 1.156) 10.895 17.050 ( -5.426 7.959 1.126) 9.698 17.350 ( -4.406 11.603 -20.309) 23.801 20.151 ( -2.634 -2.458 -3.038) 4.713 20.579 ( -2.022 5.213 -4.641) 7.266 21.078 ( 4.331 7.170 8.298) 11.791 21.876 ( 15.899 12.419 -5.825) 20.998 22.123 ( -1.299 -1.095 23.351) 23.412 22.730 ( 0.925 0.795 9.925) 10.000 23.028 ( -2.824 5.421 3.802) 7.199 24.464 ( -4.577 -9.093 -9.845) 14.162 ======================= Grid point 179 (63/125) ======================= q-point: (-0.11 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.967 ( 0.000 19.071 33.908) 38.903 2.009 ( 0.000 22.565 31.236) 38.534 3.775 ( 0.000 34.373 56.125) 65.814 3.899 ( 0.000 11.866 13.940) 18.306 4.903 ( -0.000 -8.127 -22.176) 23.619 5.305 ( 0.000 0.296 31.155) 31.157 5.368 ( 0.000 1.792 -23.299) 23.367 6.173 ( -0.000 -6.238 3.330) 7.071 6.852 ( -0.000 -21.768 3.213) 22.004 7.060 ( -0.000 -8.549 8.947) 12.375 7.830 ( 0.000 7.094 -1.231) 7.200 8.147 ( -0.000 -29.839 -1.938) 29.902 8.576 ( -0.000 -2.275 2.012) 3.037 8.668 ( -0.000 -8.944 15.927) 18.267 8.787 ( -0.000 -1.355 -8.214) 8.325 9.010 ( 0.000 19.264 -23.281) 30.217 9.050 ( -0.000 -9.192 4.055) 10.046 9.276 ( -0.000 -1.669 -0.559) 1.760 10.133 ( 0.000 15.363 -2.107) 15.507 10.353 ( 0.000 6.950 3.108) 7.613 10.557 ( -0.000 -4.257 -11.110) 11.898 10.960 ( 0.000 4.244 -10.298) 11.138 11.302 ( 0.000 7.388 -12.620) 14.623 11.536 ( -0.000 -6.145 1.597) 6.349 11.811 ( 0.000 0.484 7.791) 7.806 12.005 ( 0.000 3.511 4.941) 6.062 12.127 ( -0.000 -18.878 4.016) 19.300 12.284 ( -0.000 -8.713 11.389) 14.340 12.693 ( -0.000 -8.406 -4.266) 9.427 12.797 ( -0.000 -12.095 -4.841) 13.028 13.190 ( -0.000 -16.759 -0.086) 16.759 13.494 ( 0.000 4.058 -1.482) 4.320 13.679 ( 0.000 0.435 -4.280) 4.302 13.993 ( 0.000 9.047 -1.556) 9.180 14.015 ( 0.000 0.074 -8.119) 8.119 14.434 ( 0.000 1.583 5.346) 5.576 14.613 ( 0.000 12.076 -13.331) 17.987 14.882 ( 0.000 3.434 -2.008) 3.978 15.516 ( 0.000 0.815 0.506) 0.959 15.753 ( 0.000 2.560 -3.229) 4.120 16.064 ( -0.000 -2.843 6.976) 7.534 16.349 ( -0.000 -6.452 14.376) 15.757 16.371 ( -0.000 -2.247 5.630) 6.062 16.543 ( -0.000 -2.766 -1.897) 3.354 16.872 ( 0.000 9.665 0.735) 9.693 17.140 ( 0.000 11.776 -15.247) 19.265 20.167 ( -0.000 -2.463 -4.058) 4.747 20.530 ( -0.000 -0.729 -8.046) 8.079 20.997 ( 0.000 6.369 8.178) 10.365 21.832 ( 0.000 9.583 -7.991) 12.477 22.135 ( -0.000 -1.079 15.067) 15.105 22.681 ( 0.000 5.461 0.272) 5.467 23.012 ( -0.000 -6.139 20.185) 21.098 24.546 ( -0.000 -6.360 -8.244) 10.412 ======================= Grid point 182 (64/125) ======================= q-point: ( 0.22 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.471 ( 30.371 -0.000 22.296) 37.676 2.754 ( 35.418 -0.000 17.674) 39.583 4.592 ( 6.198 -0.000 -15.700) 16.879 4.799 ( 6.541 -0.000 -20.535) 21.552 5.087 ( 8.980 -0.000 9.596) 13.142 5.129 ( 37.216 -0.000 32.119) 49.159 5.795 ( 22.264 -0.000 27.986) 35.762 6.272 ( -14.645 0.000 8.717) 17.043 6.602 ( -0.040 0.000 -10.391) 10.391 6.660 ( -42.864 0.000 6.003) 43.282 7.215 ( -18.033 0.000 7.224) 19.426 7.867 ( 0.543 -0.000 -9.664) 9.679 8.062 ( 3.473 -0.000 5.310) 6.345 8.181 ( -6.455 0.000 -3.007) 7.121 8.514 ( -13.725 0.000 15.557) 20.746 9.226 ( -6.364 0.000 2.436) 6.814 9.305 ( -21.613 0.000 -0.231) 21.614 9.805 ( 13.178 -0.000 3.623) 13.667 9.855 ( -3.569 0.000 -12.146) 12.659 10.209 ( -25.011 0.000 12.078) 27.775 10.307 ( 2.465 -0.000 -9.351) 9.670 10.638 ( -5.655 0.000 6.399) 8.540 11.138 ( 15.617 -0.000 -12.040) 19.720 11.572 ( 0.772 -0.000 -8.764) 8.798 11.710 ( -0.222 0.000 4.379) 4.384 11.792 ( -3.723 0.000 -7.324) 8.216 12.011 ( -6.784 0.000 -0.744) 6.825 12.130 ( -5.701 0.000 0.027) 5.701 12.573 ( 4.031 -0.000 -3.071) 5.067 12.598 ( -14.949 0.000 -2.366) 15.135 12.914 ( -14.770 0.000 -0.421) 14.776 13.050 ( -5.436 0.000 -13.125) 14.207 13.640 ( -1.445 0.000 2.554) 2.934 13.725 ( 2.906 -0.000 -2.470) 3.813 14.190 ( -3.209 0.000 -1.883) 3.720 14.706 ( 1.662 -0.000 -8.980) 9.132 14.995 ( 17.741 -0.000 1.866) 17.839 15.113 ( 9.973 -0.000 -1.299) 10.057 15.529 ( -0.900 0.000 -0.518) 1.038 15.799 ( 0.290 -0.000 -0.570) 0.639 16.180 ( -7.884 0.000 7.729) 11.040 16.203 ( -4.937 0.000 3.640) 6.134 16.530 ( -10.177 0.000 1.734) 10.323 16.562 ( 0.327 -0.000 1.638) 1.670 17.088 ( 9.164 -0.000 -7.467) 11.821 17.826 ( 15.741 -0.000 -10.052) 18.677 20.788 ( 7.441 -0.000 -7.987) 10.916 20.828 ( -5.964 0.000 18.966) 19.881 21.032 ( 3.480 -0.000 5.557) 6.556 21.034 ( 25.435 -0.000 -3.867) 25.728 22.186 ( 4.126 -0.000 8.281) 9.252 22.765 ( 7.392 -0.000 -5.483) 9.203 23.008 ( -5.296 0.000 21.984) 22.613 24.708 ( -6.711 0.000 -17.310) 18.565 ======================= Grid point 183 (65/125) ======================= q-point: ( 0.33 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.990 ( 30.567 -9.126 16.092) 35.730 3.311 ( 34.883 -6.160 15.800) 38.787 4.628 ( 10.099 4.994 -14.297) 18.203 4.856 ( -0.213 1.636 -13.124) 13.227 5.073 ( 5.070 12.913 15.572) 20.855 5.670 ( 23.426 -4.105 25.656) 34.984 5.898 ( -24.593 10.308 8.833) 28.091 6.069 ( 1.550 5.830 3.945) 7.208 6.291 ( -3.936 -13.878 4.984) 15.262 6.579 ( -9.750 -3.619 5.387) 11.713 7.007 ( -0.754 3.255 -5.787) 6.682 7.724 ( -9.704 5.696 -3.954) 11.926 8.093 ( 5.249 5.137 1.838) 7.571 8.261 ( 2.040 -12.978 13.502) 18.838 8.455 ( -3.733 -3.987 8.085) 9.757 8.959 ( -19.032 1.874 3.976) 19.533 9.107 ( -17.895 -6.201 15.203) 24.286 9.522 ( -0.584 19.618 -9.551) 21.827 9.828 ( -24.988 0.641 11.831) 27.655 10.093 ( 7.960 -1.448 2.080) 8.354 10.448 ( 8.317 -11.027 -11.510) 17.979 10.678 ( -2.481 -7.019 -0.422) 7.456 11.317 ( 5.605 2.955 -7.832) 10.074 11.456 ( -11.024 0.856 -5.001) 12.135 11.699 ( -3.960 -0.093 -9.050) 9.879 11.761 ( 5.845 2.095 -0.104) 6.210 11.937 ( -4.304 -4.647 -3.174) 7.085 12.198 ( -2.591 -10.132 -5.216) 11.686 12.372 ( -6.509 7.092 2.055) 9.843 12.602 ( -6.222 1.709 -1.621) 6.653 12.724 ( -5.870 -1.566 -7.203) 9.423 12.938 ( -3.997 5.684 -16.711) 18.098 13.585 ( 4.337 4.651 4.388) 7.726 13.846 ( 1.904 -5.544 -2.211) 6.265 14.138 ( -4.564 -1.510 0.413) 4.825 14.696 ( 2.308 4.571 -8.304) 9.756 15.193 ( 12.766 1.586 0.935) 12.898 15.282 ( 8.152 -2.447 4.892) 9.817 15.534 ( 0.363 -1.746 -2.354) 2.954 15.777 ( -2.701 0.269 -0.219) 2.723 16.079 ( -11.780 0.059 1.319) 11.854 16.169 ( -7.033 -7.867 6.753) 12.528 16.335 ( -6.105 4.169 0.087) 7.393 16.584 ( -1.966 -2.299 0.473) 3.062 17.218 ( 1.016 -6.131 -7.004) 9.364 17.988 ( 9.600 2.614 -11.853) 15.475 20.638 ( -0.689 11.520 11.543) 16.323 20.966 ( 8.126 -2.893 3.474) 9.299 21.094 ( 1.912 -1.674 4.783) 5.416 21.415 ( 29.526 2.424 -6.113) 30.250 22.229 ( 3.434 2.246 12.646) 13.295 22.851 ( 2.913 3.591 7.731) 9.008 22.993 ( 3.654 -5.376 5.841) 8.739 24.568 ( -10.821 1.737 -15.699) 19.146 ======================= Grid point 184 (66/125) ======================= q-point: ( 0.44 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.544 ( 25.788 -9.931 12.576) 30.361 3.858 ( 27.183 -5.941 16.204) 32.199 4.534 ( -1.880 25.494 5.791) 26.211 4.797 ( 2.957 8.926 7.331) 11.923 4.990 ( 7.616 1.534 3.085) 8.359 5.383 ( -22.719 6.307 4.191) 23.947 5.690 ( -16.565 0.307 3.575) 16.949 6.026 ( -3.571 -2.100 -1.409) 4.375 6.302 ( -9.246 2.505 -5.934) 11.268 6.788 ( 20.737 -8.749 4.060) 22.871 7.139 ( 14.933 -0.786 0.806) 14.976 7.481 ( -9.626 4.971 2.106) 11.036 8.198 ( 3.084 -8.307 1.419) 8.974 8.253 ( -10.887 5.757 15.313) 19.651 8.516 ( 5.200 2.395 15.909) 16.908 8.720 ( -11.723 -3.872 10.639) 16.297 9.122 ( 3.710 -10.681 6.589) 13.087 9.335 ( -1.090 4.008 -3.363) 5.345 9.562 ( -20.096 -11.260 10.705) 25.402 10.171 ( 7.014 1.989 3.211) 7.967 10.684 ( -8.217 -2.573 -10.473) 13.558 10.766 ( 9.983 -10.471 -5.199) 15.373 11.184 ( -3.610 8.141 -7.136) 11.412 11.371 ( -16.337 -9.972 -3.720) 19.498 11.611 ( -0.017 3.245 -1.220) 3.467 11.876 ( 3.136 -2.784 -10.830) 11.613 11.990 ( -0.504 -6.245 1.713) 6.496 12.163 ( -4.941 6.011 0.212) 7.784 12.337 ( 0.946 -5.776 -5.861) 8.283 12.407 ( -9.722 3.369 -4.407) 11.193 12.739 ( -0.559 4.100 -17.167) 17.659 12.851 ( 4.851 -0.585 -10.002) 11.132 13.611 ( 5.000 1.699 4.328) 6.828 13.928 ( 2.121 -2.269 -1.084) 3.290 14.131 ( -2.194 -3.835 1.575) 4.691 14.636 ( 3.618 8.814 -7.170) 11.924 15.299 ( 3.982 0.534 0.638) 4.068 15.407 ( 4.951 -2.372 5.224) 7.578 15.577 ( -0.074 -2.690 -1.402) 3.034 15.704 ( -8.233 1.592 -0.817) 8.426 15.888 ( -8.668 1.040 3.285) 9.328 16.129 ( -11.670 -4.355 3.469) 12.930 16.319 ( -1.062 -6.018 -0.136) 6.112 16.574 ( -3.027 -1.152 0.097) 3.240 17.281 ( -4.904 -5.636 -6.853) 10.138 18.013 ( 3.707 6.324 -13.641) 15.486 20.462 ( -0.059 10.893 8.348) 13.724 21.087 ( 6.826 5.900 3.100) 9.540 21.138 ( 5.562 -1.605 5.435) 7.941 21.771 ( 28.705 5.445 -5.699) 29.767 22.211 ( -0.978 1.784 21.178) 21.276 22.806 ( 3.467 5.611 11.342) 13.120 23.195 ( 7.899 -6.665 -2.965) 10.753 24.366 ( -13.935 1.195 -13.853) 19.686 ======================= Grid point 185 (67/125) ======================= q-point: (-0.44 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.903 ( -7.083 8.518 8.929) 14.228 3.992 ( 4.617 12.985 11.405) 17.889 4.122 ( 7.812 24.121 11.345) 27.777 4.649 ( 13.527 0.199 26.821) 30.040 5.126 ( -6.794 0.535 -2.920) 7.414 5.163 ( 0.830 3.997 5.210) 6.619 5.494 ( -3.380 -2.810 2.637) 5.126 6.023 ( -5.834 -6.301 -3.110) 9.133 6.134 ( -9.097 1.381 -13.597) 16.418 7.005 ( -2.776 3.113 10.613) 11.403 7.246 ( 8.450 1.475 -6.969) 11.052 7.494 ( 0.923 -7.869 1.556) 8.075 7.988 ( 0.172 10.601 6.486) 12.429 8.375 ( 1.111 -5.220 4.700) 7.111 8.458 ( 2.610 0.250 23.242) 23.390 8.788 ( -2.854 -10.651 20.238) 23.047 9.287 ( -1.423 -5.242 0.656) 5.471 9.428 ( 8.104 -8.858 -7.432) 14.119 9.665 ( 0.721 -17.368 7.528) 18.943 10.306 ( 9.284 -6.180 9.767) 14.825 10.573 ( -11.404 -5.093 -11.129) 16.729 10.957 ( 0.070 2.148 -0.120) 2.152 11.022 ( -4.404 1.521 -5.964) 7.569 11.293 ( -10.884 -7.511 -8.108) 15.512 11.636 ( 2.575 -2.780 -5.032) 6.300 11.879 ( -2.577 0.942 -14.689) 14.943 12.015 ( -5.299 2.873 -0.811) 6.082 12.095 ( 1.919 -2.765 5.828) 6.731 12.279 ( -2.901 -0.881 -2.999) 4.264 12.458 ( 2.053 -6.780 -5.128) 8.745 12.614 ( -2.476 7.336 -17.784) 19.396 13.041 ( 10.829 -6.843 -9.444) 15.915 13.657 ( 2.742 -0.393 2.590) 3.792 14.001 ( 5.892 -0.272 0.468) 5.916 14.172 ( 0.212 -2.806 0.800) 2.926 14.541 ( 4.421 10.689 -3.694) 12.143 15.291 ( -5.879 -0.139 1.232) 6.008 15.406 ( -11.761 2.062 -4.032) 12.603 15.531 ( -2.284 -0.135 -0.417) 2.326 15.629 ( 1.369 -0.312 0.256) 1.427 15.853 ( -1.942 -3.684 6.796) 7.970 16.031 ( -9.289 -4.052 4.780) 11.205 16.392 ( -3.616 -6.849 -0.365) 7.754 16.538 ( -2.837 0.249 0.185) 2.854 17.258 ( -6.598 -2.520 -5.630) 9.032 17.909 ( -0.412 10.110 -15.474) 18.488 20.313 ( -0.104 8.619 4.313) 9.638 21.006 ( -0.049 9.099 -1.712) 9.259 21.260 ( 12.396 4.471 8.979) 15.946 22.019 ( 13.208 3.512 8.948) 16.336 22.190 ( 7.303 4.240 14.273) 16.584 22.788 ( 4.979 5.107 8.584) 11.161 23.349 ( 5.029 0.196 -3.436) 6.094 24.177 ( -13.983 -4.141 -12.297) 19.076 ======================= Grid point 186 (68/125) ======================= q-point: (-0.33 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.278 ( -18.100 27.637 14.021) 35.889 3.552 ( -1.794 36.863 15.012) 39.843 4.232 ( 14.789 2.971 1.578) 15.166 4.793 ( -16.117 4.663 -4.407) 17.347 5.033 ( 18.260 -1.321 34.981) 39.482 5.213 ( 4.928 0.956 9.042) 10.342 5.511 ( 1.633 5.992 1.670) 6.431 5.954 ( -7.560 -2.073 0.260) 7.843 6.091 ( -8.023 -9.088 -4.759) 13.024 6.967 ( -2.221 -3.110 3.300) 5.049 7.224 ( 3.997 3.828 -6.403) 8.464 7.554 ( -11.140 -11.727 -2.493) 16.366 8.100 ( 17.252 -4.317 2.945) 18.026 8.376 ( -2.342 -0.207 12.357) 12.579 8.608 ( 6.790 -6.977 19.123) 21.459 8.901 ( -6.676 -10.238 16.235) 20.321 9.281 ( -0.434 5.863 -4.484) 7.394 9.700 ( 3.140 -17.683 -0.270) 17.962 9.943 ( 17.921 2.635 -10.657) 21.016 10.495 ( -13.266 -14.437 6.841) 20.766 10.629 ( -7.876 -10.359 -4.070) 13.635 10.777 ( 3.664 0.870 1.990) 4.259 11.074 ( 5.725 -2.928 1.006) 6.509 11.281 ( -6.745 -6.551 -7.307) 11.908 11.635 ( 2.809 11.754 -14.695) 19.026 11.903 ( -3.626 -5.222 -3.829) 7.422 11.932 ( -0.126 -6.976 -8.402) 10.922 12.145 ( 0.407 -2.445 5.500) 6.033 12.324 ( 0.041 -4.747 -3.636) 5.980 12.457 ( -4.421 6.320 -12.870) 15.004 12.610 ( 2.224 -9.180 0.082) 9.446 13.314 ( 9.508 -8.356 -8.768) 15.398 13.697 ( 0.627 -1.734 -0.002) 1.844 14.087 ( 5.250 1.405 -1.560) 5.654 14.214 ( 7.322 3.160 0.401) 7.985 14.463 ( 3.214 6.213 2.433) 7.406 15.095 ( -13.489 4.164 -5.430) 15.125 15.190 ( -11.751 4.000 -3.415) 12.874 15.530 ( 0.169 -0.090 -0.952) 0.972 15.654 ( -0.136 -2.401 -3.265) 4.055 15.895 ( -1.889 -4.860 7.308) 8.978 16.033 ( -1.576 -6.177 11.996) 13.585 16.413 ( -5.926 -5.316 -0.805) 8.002 16.490 ( -1.042 2.572 1.167) 3.011 17.187 ( -4.388 1.103 -3.088) 5.477 17.717 ( -1.739 12.612 -17.903) 21.968 20.201 ( -0.398 5.684 0.876) 5.765 20.841 ( -0.858 10.959 -3.578) 11.560 21.320 ( 8.533 8.030 9.585) 15.138 22.050 ( -3.660 -3.339 31.685) 32.070 22.270 ( 16.452 12.344 -6.780) 21.656 22.780 ( 2.982 3.792 8.612) 9.871 23.299 ( -1.134 8.957 -3.338) 9.626 24.144 ( -7.260 -11.172 -10.290) 16.835 ======================= Grid point 187 (69/125) ======================= q-point: (-0.22 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.709 ( 0.000 28.225 20.983) 35.170 2.968 ( 0.000 37.309 17.310) 41.129 4.273 ( 0.000 10.390 3.291) 10.898 4.578 ( 0.000 5.955 -1.639) 6.177 4.962 ( 0.000 19.353 20.908) 28.490 5.280 ( -0.000 -1.710 39.375) 39.412 5.454 ( 0.000 4.241 -17.067) 17.586 5.957 ( -0.000 -6.880 7.070) 9.865 6.236 ( -0.000 -16.921 -0.333) 16.924 6.924 ( 0.000 0.267 0.635) 0.689 7.402 ( -0.000 -14.502 -5.745) 15.598 7.691 ( -0.000 -18.673 -7.689) 20.194 8.327 ( -0.000 -2.215 11.585) 11.795 8.387 ( -0.000 -7.722 5.762) 9.635 8.797 ( -0.000 -0.657 10.423) 10.444 8.946 ( -0.000 -14.792 13.816) 20.241 9.144 ( 0.000 9.387 -1.400) 9.491 9.749 ( 0.000 18.233 -27.959) 33.379 10.274 ( -0.000 -14.959 9.052) 17.485 10.313 ( -0.000 -2.625 -5.191) 5.818 10.631 ( 0.000 4.207 -1.086) 4.345 10.948 ( -0.000 -4.982 4.918) 7.001 11.323 ( -0.000 -5.805 -10.655) 12.133 11.330 ( -0.000 -23.113 10.349) 25.324 11.466 ( 0.000 8.832 -11.452) 14.462 11.895 ( 0.000 0.204 -0.236) 0.312 12.128 ( -0.000 -5.319 -13.570) 14.575 12.189 ( -0.000 -1.872 6.012) 6.296 12.354 ( -0.000 -5.787 -7.885) 9.781 12.408 ( -0.000 -6.970 -4.145) 8.109 12.783 ( -0.000 -11.011 4.109) 11.752 13.494 ( -0.000 -5.065 -6.790) 8.471 13.720 ( -0.000 -0.357 -2.147) 2.176 14.065 ( 0.000 3.802 -4.062) 5.564 14.249 ( 0.000 7.294 -0.531) 7.313 14.442 ( -0.000 -0.616 6.693) 6.721 14.896 ( 0.000 7.625 -10.200) 12.735 15.006 ( 0.000 4.531 -4.433) 6.338 15.533 ( 0.000 0.131 -0.093) 0.160 15.703 ( -0.000 -4.062 -4.296) 5.913 15.949 ( -0.000 -4.487 7.207) 8.489 16.131 ( -0.000 -7.053 16.175) 17.646 16.429 ( 0.000 4.062 3.823) 5.578 16.432 ( -0.000 -4.401 -1.922) 4.802 17.111 ( 0.000 4.741 0.172) 4.744 17.506 ( 0.000 12.762 -20.696) 24.315 20.136 ( 0.000 2.190 -1.462) 2.633 20.677 ( 0.000 9.284 -4.160) 10.174 21.245 ( 0.000 9.357 9.319) 13.206 22.075 ( -0.000 -3.211 30.540) 30.708 22.198 ( 0.000 13.565 -9.149) 16.362 22.756 ( 0.000 1.872 10.509) 10.675 23.128 ( 0.000 10.194 -1.972) 10.383 24.272 ( -0.000 -11.402 -8.841) 14.428 ======================= Grid point 192 (70/125) ======================= q-point: ( 0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.372 ( 31.350 -0.000 11.695) 33.460 3.761 ( 33.302 -0.000 13.177) 35.814 4.796 ( 10.115 -0.000 -9.064) 13.582 4.873 ( 1.081 -0.000 -16.507) 16.542 5.289 ( 4.714 -0.000 19.497) 20.058 5.479 ( -37.493 0.000 -0.486) 37.496 5.587 ( -20.362 0.000 -1.849) 20.446 6.086 ( 5.282 -0.000 19.784) 20.477 6.380 ( -6.517 0.000 4.699) 8.034 6.607 ( 29.825 -0.000 11.834) 32.087 7.134 ( 13.203 -0.000 -2.362) 13.413 7.657 ( -8.948 0.000 -3.236) 9.515 7.973 ( -10.836 0.000 26.403) 28.540 8.283 ( 3.187 -0.000 -1.495) 3.520 8.431 ( -1.937 0.000 13.084) 13.226 8.770 ( 0.991 -0.000 4.551) 4.657 8.797 ( -16.477 0.000 17.176) 23.802 9.448 ( -26.232 0.000 16.332) 30.901 9.717 ( -4.935 0.000 -19.765) 20.371 10.109 ( 4.853 -0.000 -1.875) 5.203 10.431 ( 4.369 -0.000 -13.961) 14.629 10.688 ( 7.272 -0.000 9.495) 11.960 11.130 ( -23.424 0.000 -0.685) 23.434 11.463 ( -8.061 0.000 -12.744) 15.080 11.606 ( 1.431 -0.000 -11.276) 11.366 11.876 ( -4.553 0.000 -4.168) 6.173 11.880 ( 7.733 -0.000 4.298) 8.847 12.135 ( 7.400 -0.000 -10.825) 13.113 12.386 ( -0.449 0.000 -1.559) 1.623 12.404 ( -17.567 0.000 4.525) 18.141 12.737 ( 5.191 -0.000 -7.844) 9.406 12.933 ( -3.011 0.000 -23.759) 23.949 13.637 ( 0.496 -0.000 3.656) 3.690 13.896 ( 7.484 -0.000 -1.072) 7.561 14.044 ( -4.519 0.000 3.721) 5.854 14.769 ( 3.914 -0.000 -7.014) 8.032 15.346 ( 2.872 -0.000 2.050) 3.529 15.382 ( 7.668 -0.000 9.966) 12.575 15.520 ( 0.800 -0.000 -5.129) 5.191 15.697 ( -8.674 0.000 -3.254) 9.264 15.920 ( -9.793 0.000 5.767) 11.365 16.008 ( -7.369 0.000 3.244) 8.052 16.262 ( -6.079 0.000 0.677) 6.117 16.546 ( -1.112 0.000 -7.872) 7.950 17.186 ( -0.151 0.000 -4.959) 4.961 18.117 ( 5.574 -0.000 -13.481) 14.588 20.737 ( -0.650 0.000 19.273) 19.284 20.994 ( 4.318 -0.000 1.921) 4.726 21.189 ( 10.272 -0.000 5.765) 11.780 21.867 ( 30.981 -0.000 -8.092) 32.020 22.269 ( -2.015 0.000 14.497) 14.637 22.956 ( 3.592 -0.000 14.295) 14.739 22.996 ( 7.961 -0.000 -5.331) 9.581 24.399 ( -14.708 0.000 -14.379) 20.569 ======================= Grid point 193 (71/125) ======================= q-point: ( 0.44 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.817 ( 25.830 -3.635 8.151) 27.328 4.152 ( 17.840 1.096 7.004) 19.197 4.787 ( -4.147 10.705 0.025) 11.481 4.934 ( -12.241 -8.121 -12.490) 19.282 5.021 ( -2.707 10.298 9.043) 13.970 5.183 ( 2.513 7.014 9.017) 11.697 5.434 ( -11.010 -4.127 3.368) 12.231 6.024 ( -3.629 4.577 14.276) 15.425 6.299 ( -4.723 4.880 -5.090) 8.487 6.990 ( 17.837 -1.740 6.290) 18.994 7.340 ( 11.799 -0.952 4.701) 12.737 7.435 ( -7.994 8.627 7.403) 13.897 8.015 ( 0.357 -13.774 13.785) 19.490 8.198 ( -8.182 2.535 11.341) 14.212 8.424 ( -7.204 -9.872 15.943) 20.088 8.737 ( 6.045 -2.605 7.799) 10.206 8.934 ( 6.205 -1.687 12.964) 14.471 9.131 ( -22.447 -4.567 12.207) 25.956 9.561 ( 7.955 8.656 -13.783) 18.115 10.189 ( -1.643 -4.977 -6.569) 8.404 10.549 ( -3.969 0.058 -7.022) 8.067 10.699 ( -5.854 -7.816 -4.663) 10.822 10.957 ( -7.520 -11.332 2.000) 13.746 11.263 ( -9.586 7.329 -12.521) 17.389 11.621 ( -0.645 1.284 -2.645) 3.011 11.834 ( -2.504 -2.747 -4.303) 5.686 11.988 ( 4.513 -2.616 6.403) 8.259 12.141 ( -9.148 3.648 0.655) 9.870 12.305 ( 6.037 -2.295 -12.300) 13.893 12.379 ( 0.724 2.425 -5.273) 5.849 12.807 ( 2.606 2.177 -17.775) 18.097 12.889 ( 1.350 -0.806 -16.727) 16.800 13.640 ( -0.040 0.149 3.808) 3.811 13.953 ( -0.880 -3.313 -1.060) 3.588 14.095 ( 9.203 -0.709 5.861) 10.934 14.800 ( 4.867 4.990 -5.783) 9.057 15.260 ( -14.170 -0.877 3.543) 14.633 15.419 ( -2.882 0.425 4.205) 5.115 15.540 ( 0.719 0.716 -0.823) 1.306 15.626 ( -0.544 -1.392 -1.999) 2.496 15.795 ( -5.820 -0.236 5.771) 8.200 15.951 ( -5.217 -1.722 3.381) 6.451 16.220 ( -2.825 -2.905 -0.682) 4.109 16.537 ( -0.955 -0.527 -10.895) 10.949 17.187 ( -1.605 -1.359 -4.543) 5.006 18.140 ( 2.334 4.292 -14.898) 15.678 20.633 ( 0.376 10.828 13.848) 17.582 21.096 ( 0.966 -5.091 6.027) 7.949 21.342 ( 14.378 2.660 8.425) 16.875 22.137 ( -2.550 5.310 14.395) 15.554 22.300 ( 23.088 0.579 -4.609) 23.550 22.960 ( 5.739 6.040 7.646) 11.308 23.189 ( 6.704 -8.093 -2.695) 10.849 24.164 ( -16.727 1.244 -12.383) 20.849 ======================= Grid point 194 (72/125) ======================= q-point: (-0.44 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.980 ( -7.548 15.897 -1.753) 17.685 4.226 ( 14.072 -0.374 5.337) 15.054 4.599 ( -4.577 20.809 5.199) 21.932 4.668 ( -1.831 0.867 3.240) 3.821 5.028 ( 2.862 -0.097 26.724) 26.877 5.279 ( 7.512 0.374 6.955) 10.244 5.431 ( 1.548 -7.811 -2.077) 8.229 5.930 ( -0.388 3.496 0.082) 3.518 6.092 ( -9.811 6.829 -9.728) 15.412 6.994 ( -5.838 6.633 12.533) 15.334 7.357 ( 1.880 1.682 1.679) 3.030 7.449 ( 2.989 -1.421 2.478) 4.135 8.131 ( 4.570 -0.752 11.319) 12.230 8.276 ( 1.631 -9.682 9.357) 13.563 8.586 ( 4.678 -13.827 14.807) 20.792 8.630 ( 1.326 19.130 20.782) 28.277 8.953 ( -18.924 -16.145 11.384) 27.356 9.186 ( 2.818 -19.861 5.513) 20.804 9.774 ( 19.378 -2.678 -7.941) 21.112 10.296 ( 0.804 -11.881 -7.369) 14.004 10.310 ( -11.905 3.209 -3.589) 12.842 10.860 ( -11.818 -12.658 -5.140) 18.064 11.024 ( -1.731 3.334 -8.599) 9.383 11.049 ( -1.633 -3.976 -5.170) 6.723 11.601 ( -0.173 -1.244 -0.654) 1.416 11.854 ( -1.270 -2.218 -5.086) 5.692 12.001 ( -3.813 0.066 2.635) 4.636 12.099 ( 3.172 -1.025 3.216) 4.633 12.277 ( -0.654 6.238 -16.323) 17.487 12.432 ( 3.422 -2.371 -1.249) 4.346 12.716 ( -0.859 8.095 -25.799) 27.052 13.037 ( 5.164 -8.592 -9.274) 13.656 13.638 ( -0.853 -1.180 3.447) 3.742 14.022 ( -0.100 -5.966 -0.973) 6.045 14.263 ( 15.676 1.980 5.242) 16.648 14.713 ( -4.335 8.353 1.059) 9.470 15.088 ( -11.933 -3.855 -2.663) 12.820 15.302 ( -8.136 3.343 -3.227) 9.369 15.530 ( 0.470 0.950 1.643) 1.956 15.667 ( 2.211 0.253 -0.056) 2.226 15.772 ( -1.854 -2.994 6.712) 7.580 15.904 ( -3.053 -1.374 6.098) 6.956 16.245 ( -2.653 -4.759 -1.479) 5.646 16.535 ( -0.038 -0.007 -9.572) 9.572 17.178 ( -1.818 -0.717 -4.573) 4.973 18.057 ( 0.333 8.837 -15.735) 18.050 20.466 ( 0.188 11.253 8.599) 14.163 21.116 ( 0.205 3.792 2.150) 4.363 21.501 ( 13.053 3.606 11.915) 18.037 21.978 ( -9.281 0.598 24.634) 26.331 22.574 ( 19.820 6.885 -9.479) 23.024 22.935 ( 3.386 5.915 7.341) 10.018 23.381 ( 4.030 -5.662 -3.148) 7.630 23.927 ( -13.919 -0.932 -10.856) 17.677 ======================= Grid point 195 (73/125) ======================= q-point: (-0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.556 ( 0.000 25.867 6.186) 26.596 4.091 ( 0.000 34.024 14.439) 36.961 4.444 ( 0.000 1.835 -5.006) 5.332 4.597 ( -0.000 -2.674 -0.643) 2.751 5.145 ( -0.000 -5.662 39.338) 39.744 5.312 ( 0.000 2.729 12.859) 13.145 5.552 ( -0.000 -2.352 -7.062) 7.444 5.871 ( 0.000 3.251 -5.807) 6.656 5.948 ( -0.000 -1.732 -6.722) 6.942 6.910 ( -0.000 -1.886 4.333) 4.726 7.323 ( 0.000 0.055 2.332) 2.333 7.422 ( 0.000 7.893 -2.642) 8.324 8.261 ( 0.000 1.744 3.753) 4.139 8.306 ( -0.000 -1.607 11.622) 11.732 8.504 ( -0.000 -8.308 27.704) 28.922 8.735 ( -0.000 -3.381 16.411) 16.756 9.262 ( -0.000 -33.682 10.268) 35.212 9.363 ( -0.000 -0.332 -5.172) 5.182 10.134 ( -0.000 -22.708 7.103) 23.793 10.225 ( -0.000 -2.229 -3.509) 4.157 10.360 ( 0.000 5.141 -20.633) 21.263 10.838 ( -0.000 -3.330 8.810) 9.418 11.060 ( -0.000 -8.399 -15.497) 17.626 11.103 ( -0.000 -1.733 -0.373) 1.773 11.685 ( -0.000 -10.150 -4.246) 11.003 11.874 ( -0.000 -2.154 -5.389) 5.804 11.899 ( 0.000 13.140 -15.558) 20.365 12.099 ( -0.000 -1.017 2.938) 3.109 12.273 ( -0.000 -4.096 1.530) 4.372 12.512 ( -0.000 -5.686 0.642) 5.722 12.568 ( 0.000 10.006 -23.245) 25.307 13.232 ( -0.000 -10.636 -8.930) 13.888 13.659 ( -0.000 -2.487 1.996) 3.189 14.101 ( -0.000 -3.605 -2.704) 4.507 14.429 ( 0.000 4.791 0.746) 4.849 14.482 ( 0.000 4.077 9.128) 9.997 15.040 ( 0.000 0.817 -6.448) 6.499 15.153 ( 0.000 5.126 -5.196) 7.299 15.528 ( -0.000 -0.204 0.162) 0.260 15.657 ( 0.000 1.865 -2.889) 3.438 15.814 ( -0.000 -4.099 7.006) 8.117 15.938 ( -0.000 -5.145 12.154) 13.198 16.291 ( -0.000 -4.655 -2.149) 5.127 16.525 ( 0.000 1.567 -4.943) 5.185 17.167 ( 0.000 0.096 -4.302) 4.303 17.897 ( 0.000 12.070 -16.471) 20.420 20.311 ( 0.000 9.060 4.171) 9.974 21.004 ( 0.000 10.258 -1.909) 10.434 21.516 ( 0.000 7.883 10.447) 13.088 21.940 ( -0.000 -4.919 32.267) 32.640 22.585 ( 0.000 11.132 -10.328) 15.185 22.874 ( 0.000 5.397 7.907) 9.573 23.408 ( 0.000 5.401 -2.712) 6.044 23.910 ( -0.000 -10.395 -10.311) 14.642 ======================= Grid point 202 (74/125) ======================= q-point: ( 0.44 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.110 ( 18.192 -0.000 4.249) 18.682 4.307 ( -0.783 0.000 -11.074) 11.101 4.583 ( -18.098 0.000 -14.333) 23.086 4.815 ( 1.289 -0.000 5.923) 6.061 5.178 ( 8.866 -0.000 8.120) 12.022 5.307 ( 5.361 -0.000 9.764) 11.139 5.373 ( 0.219 -0.000 21.370) 21.371 6.021 ( -0.159 0.000 14.730) 14.731 6.223 ( -11.179 0.000 -6.598) 12.981 7.172 ( 6.026 -0.000 8.039) 10.047 7.374 ( -1.476 0.000 11.823) 11.914 7.502 ( -0.032 0.000 -2.425) 2.425 7.949 ( 11.197 -0.000 17.492) 20.769 8.093 ( -7.952 0.000 8.409) 11.573 8.262 ( -2.916 0.000 23.396) 23.577 8.683 ( 2.277 -0.000 6.408) 6.801 8.795 ( -17.396 0.000 16.176) 23.754 9.273 ( 19.383 -0.000 6.616) 20.481 9.683 ( 4.617 -0.000 -14.674) 15.384 10.095 ( -4.294 0.000 -5.940) 7.329 10.370 ( -21.772 0.000 -5.475) 22.450 10.527 ( 0.197 -0.000 -13.379) 13.380 10.912 ( 6.686 -0.000 3.516) 7.554 11.147 ( -12.243 0.000 -13.529) 18.246 11.657 ( 1.556 -0.000 0.566) 1.656 11.776 ( -0.699 0.000 -0.952) 1.181 12.009 ( -8.816 0.000 8.615) 12.326 12.015 ( 2.328 -0.000 6.969) 7.348 12.407 ( 2.539 -0.000 0.655) 2.622 12.452 ( 7.547 -0.000 -28.932) 29.900 12.864 ( -2.151 0.000 -29.635) 29.713 12.871 ( 3.117 -0.000 -8.967) 9.494 13.648 ( 0.206 -0.000 3.706) 3.712 13.875 ( -2.448 0.000 1.762) 3.016 14.300 ( 17.807 -0.000 5.298) 18.578 14.922 ( 5.794 -0.000 -5.266) 7.829 14.939 ( -24.878 0.000 5.063) 25.388 15.361 ( -5.838 0.000 -2.571) 6.379 15.580 ( 1.380 -0.000 8.593) 8.703 15.619 ( 1.168 -0.000 -2.557) 2.811 15.727 ( -2.605 0.000 6.198) 6.723 15.910 ( -0.953 0.000 2.917) 3.068 16.167 ( -1.437 0.000 -1.867) 2.356 16.524 ( -0.326 0.000 -16.282) 16.285 17.167 ( -0.515 0.000 -3.597) 3.633 18.198 ( 1.017 -0.000 -15.990) 16.022 20.743 ( 0.427 -0.000 18.198) 18.203 21.047 ( 0.632 -0.000 5.505) 5.541 21.569 ( 14.240 -0.000 10.712) 17.819 22.039 ( -11.843 0.000 17.924) 21.483 22.667 ( 22.571 -0.000 -10.802) 25.023 23.126 ( 4.901 -0.000 7.736) 9.158 23.139 ( 0.631 -0.000 -6.490) 6.520 23.952 ( -13.655 0.000 -9.619) 16.703 ======================= Grid point 203 (75/125) ======================= q-point: (-0.44 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.155 ( 0.000 13.056 -12.736) 18.239 4.312 ( -0.000 -5.475 3.131) 6.307 4.462 ( -0.000 -1.747 -12.231) 12.355 4.852 ( -0.000 -0.296 7.820) 7.826 5.198 ( 0.000 17.715 27.610) 32.805 5.312 ( -0.000 -7.085 2.528) 7.523 5.366 ( 0.000 0.556 19.379) 19.387 6.041 ( 0.000 2.842 6.906) 7.468 6.053 ( 0.000 4.900 -10.609) 11.686 7.095 ( 0.000 10.871 12.864) 16.842 7.369 ( -0.000 -0.520 7.941) 7.958 7.481 ( 0.000 1.683 -0.420) 1.735 8.064 ( -0.000 -5.891 9.933) 11.549 8.237 ( -0.000 -1.426 19.965) 20.016 8.302 ( -0.000 -25.157 11.634) 27.717 8.649 ( -0.000 -1.033 17.063) 17.095 8.884 ( -0.000 -19.803 6.816) 20.943 9.081 ( 0.000 30.677 9.634) 32.154 9.988 ( 0.000 5.832 -8.541) 10.342 10.035 ( -0.000 -22.902 -11.058) 25.432 10.196 ( -0.000 -0.889 -6.442) 6.503 10.603 ( -0.000 -8.444 -8.440) 11.939 11.000 ( 0.000 1.466 -19.834) 19.888 11.023 ( -0.000 -2.766 7.101) 7.621 11.626 ( 0.000 3.710 1.560) 4.024 11.811 ( -0.000 -2.761 -1.937) 3.373 11.950 ( -0.000 -1.303 8.361) 8.462 12.063 ( -0.000 -3.832 7.284) 8.231 12.397 ( 0.000 4.543 -15.189) 15.854 12.469 ( 0.000 3.771 -12.998) 13.534 12.809 ( 0.000 4.702 -29.960) 30.327 12.949 ( -0.000 -6.614 -9.448) 11.532 13.632 ( 0.000 1.238 4.021) 4.207 13.915 ( -0.000 -6.351 1.144) 6.453 14.543 ( 0.000 2.433 1.028) 2.641 14.602 ( 0.000 2.544 9.401) 9.739 14.991 ( -0.000 -2.198 -4.414) 4.931 15.286 ( 0.000 2.844 -5.154) 5.886 15.560 ( 0.000 2.293 5.090) 5.583 15.663 ( -0.000 -2.765 2.204) 3.535 15.723 ( -0.000 -1.662 6.371) 6.584 15.890 ( 0.000 1.416 3.440) 3.721 16.176 ( -0.000 -2.383 -2.331) 3.334 16.528 ( -0.000 -0.676 -15.430) 15.445 17.164 ( -0.000 -0.051 -3.733) 3.734 18.167 ( 0.000 4.924 -16.211) 16.942 20.642 ( 0.000 11.035 13.756) 17.635 21.108 ( -0.000 -4.358 6.474) 7.804 21.687 ( 0.000 3.044 11.110) 11.520 21.892 ( 0.000 2.086 20.577) 20.683 22.825 ( 0.000 4.235 -11.059) 11.842 23.044 ( 0.000 5.745 3.386) 6.669 23.280 ( -0.000 -9.779 -2.783) 10.167 23.827 ( 0.000 1.823 -8.132) 8.334 ======================= Grid point 243 (76/125) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.487 ( 0.000 0.000 39.737) 39.737 2.596 ( 0.000 0.000 43.331) 43.331 3.831 ( 0.000 0.000 -13.277) 13.277 4.234 ( 0.000 0.000 -13.259) 13.259 4.616 ( 0.000 0.000 35.029) 35.029 5.099 ( 0.000 0.000 8.304) 8.304 5.829 ( 0.000 0.000 13.173) 13.173 6.056 ( 0.000 0.000 -20.965) 20.965 7.387 ( 0.000 0.000 4.712) 4.712 7.571 ( 0.000 0.000 12.956) 12.956 7.666 ( 0.000 0.000 1.881) 1.881 7.749 ( 0.000 0.000 -24.168) 24.168 8.672 ( 0.000 0.000 -10.355) 10.355 8.768 ( 0.000 0.000 12.872) 12.872 8.899 ( 0.000 0.000 -10.022) 10.022 9.176 ( 0.000 0.000 11.544) 11.544 9.416 ( 0.000 0.000 -5.316) 5.316 9.471 ( 0.000 0.000 24.943) 24.943 9.621 ( 0.000 0.000 -5.133) 5.133 10.126 ( 0.000 0.000 -6.365) 6.365 10.288 ( 0.000 0.000 -14.657) 14.657 10.567 ( 0.000 0.000 -11.986) 11.986 10.957 ( 0.000 0.000 1.107) 1.107 11.451 ( 0.000 0.000 -14.526) 14.526 11.881 ( 0.000 0.000 5.385) 5.385 12.092 ( 0.000 0.000 -2.744) 2.744 12.615 ( 0.000 0.000 14.167) 14.167 12.854 ( 0.000 0.000 6.196) 6.196 12.865 ( 0.000 0.000 12.666) 12.666 12.961 ( 0.000 0.000 -1.149) 1.149 13.417 ( 0.000 0.000 -0.028) 0.028 13.432 ( 0.000 0.000 -5.680) 5.680 13.625 ( 0.000 0.000 -4.112) 4.112 13.747 ( 0.000 0.000 -10.563) 10.563 13.875 ( 0.000 0.000 -0.375) 0.375 14.035 ( 0.000 0.000 -8.327) 8.327 14.539 ( 0.000 0.000 7.276) 7.276 14.782 ( 0.000 0.000 -3.820) 3.820 15.535 ( 0.000 0.000 -0.682) 0.682 15.561 ( 0.000 0.000 -3.240) 3.240 16.260 ( 0.000 0.000 7.636) 7.636 16.523 ( 0.000 0.000 -4.372) 4.372 16.528 ( 0.000 0.000 3.862) 3.862 16.668 ( 0.000 0.000 7.729) 7.729 16.676 ( 0.000 0.000 -1.723) 1.723 16.849 ( 0.000 0.000 -2.080) 2.080 20.148 ( 0.000 0.000 -1.269) 1.269 20.309 ( 0.000 0.000 -10.835) 10.835 21.078 ( 0.000 0.000 9.874) 9.874 21.500 ( 0.000 0.000 -9.728) 9.728 22.266 ( 0.000 0.000 5.197) 5.197 22.477 ( 0.000 0.000 -4.881) 4.881 23.694 ( 0.000 0.000 22.057) 22.057 24.426 ( 0.000 0.000 -13.020) 13.020 ======================= Grid point 244 (77/125) ======================= q-point: ( 0.11 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.501 ( -1.079 -2.487 38.337) 38.433 2.687 ( 7.093 -10.110 39.593) 41.474 3.880 ( 2.027 -1.128 -17.985) 18.134 4.231 ( 0.379 -0.308 -25.740) 25.744 4.812 ( 13.880 -11.895 44.763) 48.351 5.105 ( 0.212 -2.261 12.006) 12.219 5.872 ( 3.511 0.831 12.760) 13.260 6.072 ( 5.114 0.260 -17.398) 18.135 7.154 ( -14.629 12.189 9.054) 21.084 7.522 ( 2.196 5.747 12.068) 13.546 7.693 ( -3.292 -7.352 -5.016) 9.490 7.887 ( -3.080 -11.783 -20.134) 23.531 8.374 ( -12.400 22.842 -4.627) 26.399 8.686 ( -6.537 8.100 -3.568) 11.003 8.821 ( 1.827 9.878 1.829) 10.210 9.104 ( -2.783 6.427 7.466) 10.237 9.320 ( 11.654 8.334 -1.104) 14.370 9.508 ( -6.968 -10.820 13.854) 18.909 9.852 ( 3.516 -12.881 2.029) 13.506 10.280 ( 2.915 -2.980 2.641) 4.935 10.322 ( 5.934 -8.993 -18.907) 21.761 10.616 ( 1.214 -6.133 -10.221) 11.982 10.988 ( -1.284 -4.751 -2.261) 5.416 11.439 ( 0.939 3.154 -14.852) 15.213 11.889 ( -0.269 -0.790 4.641) 4.716 12.041 ( -6.000 2.019 0.483) 6.349 12.447 ( -11.023 12.125 9.871) 19.130 12.622 ( -12.520 9.959 5.327) 16.861 12.740 ( -7.650 4.748 9.560) 13.133 12.925 ( -1.555 2.609 -2.641) 4.025 13.288 ( -7.377 8.744 -2.786) 11.774 13.379 ( -6.902 0.205 -2.006) 7.190 13.708 ( -8.379 2.131 -1.896) 8.851 13.735 ( 14.085 3.835 -4.655) 15.322 13.958 ( 7.418 -5.408 -4.141) 10.070 14.048 ( -11.028 -11.153 -6.166) 16.853 14.652 ( 9.934 -4.073 3.372) 11.253 14.827 ( 4.623 -3.255 -3.466) 6.632 15.541 ( 3.572 1.857 1.132) 4.181 15.653 ( 4.867 -3.329 -3.599) 6.908 16.323 ( 9.718 2.891 5.247) 11.416 16.456 ( -4.606 0.714 -0.640) 4.705 16.519 ( 0.398 1.180 4.772) 4.931 16.667 ( 0.716 -1.523 8.527) 8.691 16.797 ( 8.095 -3.756 -3.323) 9.522 16.900 ( 4.955 -3.012 -5.619) 8.075 20.184 ( 6.147 1.583 -1.355) 6.491 20.339 ( 3.329 -1.055 -9.311) 9.944 21.104 ( -0.376 -2.969 9.547) 10.005 21.484 ( -6.988 -4.132 -7.389) 10.977 22.286 ( 0.113 -2.969 6.100) 6.786 22.522 ( 1.248 -4.842 -5.215) 7.224 23.626 ( -1.929 6.420 23.140) 24.091 24.402 ( 0.363 3.430 -14.428) 14.835 ======================= Grid point 245 (78/125) ======================= q-point: ( 0.22 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.677 ( 10.422 -14.127 27.828) 32.902 3.058 ( 12.757 -18.732 33.777) 40.676 3.847 ( -1.923 1.874 -24.166) 24.315 4.392 ( 10.713 -10.164 -21.709) 26.256 5.040 ( 0.383 -0.888 17.439) 17.466 5.370 ( 19.738 -11.729 34.868) 41.749 5.853 ( 1.083 3.062 9.046) 9.611 6.217 ( 10.939 -2.175 -5.193) 12.303 6.695 ( -17.037 17.374 14.737) 28.448 7.500 ( 3.490 6.095 5.467) 8.900 7.710 ( -14.393 9.223 -6.331) 18.229 7.823 ( -2.515 3.483 -7.033) 8.242 7.856 ( -22.931 0.272 -3.422) 23.186 8.376 ( -13.724 8.303 -20.466) 26.003 8.757 ( 3.592 4.941 4.789) 7.762 8.974 ( 6.644 14.226 0.081) 15.701 9.370 ( 6.114 -1.455 10.071) 11.871 9.715 ( 1.606 -17.009 -0.568) 17.094 10.008 ( 5.261 2.672 20.655) 21.481 10.281 ( -3.279 -8.483 0.961) 9.145 10.527 ( -9.734 -7.815 -10.918) 16.584 10.835 ( 14.295 -9.279 -13.815) 21.939 11.022 ( -7.518 -4.823 -5.360) 10.417 11.372 ( 4.069 8.472 -15.251) 17.914 11.835 ( -15.770 2.983 7.531) 17.729 11.876 ( -2.967 -0.155 2.326) 3.773 12.099 ( -5.006 14.717 3.577) 15.952 12.348 ( -4.695 8.000 -2.312) 9.560 12.603 ( -4.126 2.590 8.427) 9.734 12.815 ( -6.844 4.164 -6.080) 10.057 13.009 ( -8.539 12.087 0.578) 14.810 13.178 ( -14.780 4.762 -4.134) 16.069 13.587 ( -7.513 -1.626 3.497) 8.445 13.848 ( 7.159 0.895 -8.434) 11.099 14.046 ( -0.038 -2.252 -2.181) 3.135 14.113 ( 2.431 -2.551 -4.559) 5.762 14.889 ( 8.831 -8.791 1.435) 12.543 15.018 ( 8.167 -8.034 -3.307) 11.924 15.557 ( 2.179 1.268 3.423) 4.251 15.732 ( 2.921 0.485 -3.940) 4.928 16.332 ( 1.945 6.255 1.806) 6.795 16.374 ( -4.035 3.087 0.609) 5.117 16.571 ( 7.097 -0.105 11.208) 13.267 16.773 ( 4.534 -5.564 5.709) 9.171 16.982 ( 6.188 -9.495 -3.365) 11.822 17.091 ( 15.206 -1.401 -10.937) 18.783 20.248 ( 8.221 3.934 0.162) 9.116 20.443 ( 7.747 -2.442 -7.434) 11.011 21.118 ( -4.342 -2.264 8.752) 10.029 21.423 ( -11.502 -5.110 -4.459) 13.353 22.371 ( 1.530 -6.863 8.845) 11.299 22.653 ( 2.548 -8.406 -5.167) 10.191 23.475 ( -2.478 8.566 24.157) 25.750 24.336 ( 0.348 5.730 -17.020) 17.962 ======================= Grid point 246 (79/125) ======================= q-point: ( 0.33 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.170 ( 17.421 -21.197 17.143) 32.352 3.573 ( 14.983 -22.563 27.673) 38.722 3.897 ( 7.025 -4.705 -15.453) 17.614 4.694 ( 1.756 -9.182 -20.274) 22.325 5.057 ( 6.642 -1.220 19.955) 21.067 5.584 ( 8.779 10.227 9.094) 16.260 6.005 ( 9.609 -9.000 29.924) 32.693 6.178 ( -14.136 19.423 8.163) 25.372 6.391 ( 11.346 1.138 -1.459) 11.496 7.078 ( -14.299 19.504 -3.751) 24.473 7.366 ( -29.721 6.139 -4.140) 30.630 7.597 ( -15.073 3.260 -8.857) 17.784 7.847 ( 7.805 -2.854 1.790) 8.502 8.277 ( 0.191 -11.612 -20.452) 23.519 8.698 ( 1.487 8.363 3.413) 9.154 8.887 ( 5.732 10.856 2.722) 12.575 9.508 ( 2.192 -6.504 18.186) 19.438 9.846 ( -2.558 2.365 10.020) 10.608 10.109 ( 11.841 -6.386 13.472) 19.039 10.329 ( -16.816 1.131 -0.270) 16.857 10.464 ( -3.360 -12.342 0.129) 12.792 10.817 ( -13.890 1.916 -7.359) 15.836 11.174 ( 8.067 -6.158 -20.044) 22.467 11.373 ( 9.264 5.095 -18.677) 21.462 11.637 ( -7.408 -0.783 7.301) 10.431 11.778 ( -4.945 7.479 -2.058) 9.199 11.907 ( 0.747 4.231 4.439) 6.178 12.235 ( 1.284 5.632 -5.440) 7.935 12.525 ( -5.365 0.820 5.904) 8.020 12.622 ( -9.534 4.057 -3.776) 11.028 12.742 ( -3.041 10.302 -1.782) 10.889 12.890 ( -13.799 4.906 -4.809) 15.414 13.525 ( -4.880 -1.369 5.771) 7.681 13.917 ( 1.946 -1.668 -12.180) 12.447 14.092 ( 3.720 0.103 -0.095) 3.722 14.150 ( 1.307 0.263 -3.004) 3.286 15.125 ( 4.846 -8.086 0.230) 9.430 15.229 ( 5.582 -5.549 -3.248) 8.514 15.587 ( 3.288 -1.007 3.788) 5.116 15.745 ( 2.088 1.490 -2.975) 3.928 16.215 ( -3.705 6.198 3.070) 7.846 16.295 ( -1.935 2.085 -0.416) 2.875 16.666 ( 5.788 -0.115 12.702) 13.959 16.893 ( 2.180 -3.648 5.134) 6.665 17.249 ( 8.141 -9.793 -6.444) 14.272 17.317 ( 14.198 0.071 -11.554) 18.306 20.295 ( 6.994 3.980 4.712) 9.325 20.616 ( 10.875 -2.152 -8.243) 13.815 21.051 ( -7.475 -0.983 7.605) 10.709 21.316 ( -12.449 -3.087 -4.264) 13.516 22.529 ( 2.711 -9.516 11.752) 15.363 22.813 ( 2.120 -6.605 -2.094) 7.246 23.324 ( -1.858 6.534 22.213) 23.229 24.248 ( 0.052 5.877 -18.937) 19.828 ======================= Grid point 247 (80/125) ======================= q-point: ( 0.44 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.688 ( 12.905 -15.826 13.144) 24.285 3.992 ( 0.513 -2.125 12.232) 12.426 4.185 ( 16.626 -16.768 7.952) 24.916 4.629 ( -9.469 5.987 -2.575) 11.495 5.204 ( 2.571 -7.275 19.180) 20.674 5.577 ( -8.024 23.701 20.309) 32.227 5.749 ( 14.805 -6.632 -9.442) 18.771 6.190 ( -0.714 3.495 -6.894) 7.762 6.461 ( 2.405 6.390 2.932) 7.431 6.769 ( -5.273 3.754 -7.249) 9.718 6.926 ( -14.072 -0.694 3.445) 14.504 7.295 ( -12.324 3.828 -10.315) 16.521 8.124 ( 11.847 -9.565 1.820) 15.335 8.476 ( -1.129 3.132 4.217) 5.373 8.589 ( -0.194 -4.321 -13.876) 14.534 8.788 ( 1.405 6.870 6.102) 9.296 9.587 ( 0.351 -1.888 24.914) 24.988 9.781 ( 2.386 4.330 12.963) 13.874 9.995 ( -16.043 2.031 10.259) 19.151 10.358 ( 11.072 2.955 1.521) 11.560 10.561 ( -7.994 -12.158 4.142) 15.129 10.733 ( -1.559 -2.739 -4.773) 5.720 11.249 ( -0.737 -0.210 -25.198) 25.210 11.376 ( 2.453 5.149 -19.444) 20.263 11.616 ( -2.115 3.212 1.568) 4.153 11.661 ( 3.793 0.103 1.853) 4.223 11.937 ( 1.815 -3.558 -2.655) 4.796 12.167 ( -0.353 4.739 -7.135) 8.573 12.389 ( -6.596 1.153 6.002) 8.992 12.512 ( -1.245 2.052 1.248) 2.705 12.633 ( 0.794 2.803 -4.171) 5.087 12.688 ( -6.727 1.592 -6.077) 9.204 13.491 ( -1.684 -0.426 7.200) 7.407 13.953 ( 0.364 -0.885 -13.634) 13.667 14.128 ( 1.937 0.735 0.130) 2.076 14.160 ( 0.228 -0.273 -1.827) 1.861 15.236 ( 0.388 -2.301 -0.280) 2.350 15.338 ( 1.999 -1.852 -5.160) 5.835 15.680 ( 4.069 -3.344 3.479) 6.312 15.749 ( 0.522 1.564 0.340) 1.683 16.085 ( -3.012 3.077 4.325) 6.103 16.249 ( -0.899 1.042 -3.536) 3.794 16.729 ( 2.449 -0.126 13.077) 13.305 16.946 ( 0.404 -1.181 6.389) 6.510 17.440 ( 1.501 -5.241 -10.875) 12.165 17.463 ( 7.510 1.551 -8.887) 11.739 20.324 ( 3.063 1.688 8.938) 9.598 20.778 ( 6.902 -0.656 -9.565) 11.813 20.984 ( -2.598 -0.873 4.755) 5.489 21.182 ( -8.598 -0.502 -3.457) 9.280 22.709 ( 2.449 -8.341 10.965) 13.993 22.857 ( -0.720 2.528 9.331) 9.694 23.252 ( -0.251 1.087 13.956) 14.001 24.178 ( -0.089 2.733 -19.877) 20.064 ======================= Grid point 253 (81/125) ======================= q-point: ( 0.11 0.11 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.589 ( 10.375 -0.000 34.450) 35.978 2.626 ( 5.268 -0.000 39.664) 40.012 3.953 ( 5.700 -0.000 -24.896) 25.540 4.199 ( -2.377 0.000 -32.419) 32.506 5.026 ( 27.661 -0.000 49.206) 56.448 5.115 ( 5.129 -0.000 17.913) 18.632 5.991 ( 9.092 -0.000 17.388) 19.621 6.133 ( 5.241 -0.000 -20.837) 21.486 6.981 ( -21.201 0.000 7.426) 22.464 7.565 ( -3.253 0.000 -18.489) 18.773 7.611 ( 0.488 -0.000 9.085) 9.098 7.687 ( -14.366 0.000 -1.682) 14.464 8.409 ( -11.115 0.000 -3.022) 11.518 8.586 ( -15.848 0.000 13.568) 20.863 8.877 ( -6.416 0.000 -6.871) 9.401 9.045 ( -5.822 0.000 0.277) 5.829 9.368 ( 12.656 -0.000 9.389) 15.759 9.691 ( 6.277 -0.000 -4.496) 7.720 9.748 ( 3.553 -0.000 2.457) 4.320 10.318 ( 10.602 -0.000 -24.154) 26.378 10.356 ( 0.894 -0.000 3.315) 3.433 10.547 ( -0.078 0.000 -1.699) 1.701 10.915 ( -3.968 0.000 -0.716) 4.032 11.493 ( 2.998 -0.000 -15.511) 15.798 11.878 ( -1.255 0.000 3.838) 4.038 11.909 ( -14.783 0.000 8.257) 16.932 12.385 ( -13.795 0.000 4.523) 14.518 12.524 ( -8.652 0.000 5.457) 10.229 12.555 ( -16.626 0.000 6.685) 17.920 12.810 ( -11.253 0.000 -8.383) 14.033 13.217 ( -11.063 0.000 -2.286) 11.297 13.269 ( -9.850 0.000 -0.788) 9.881 13.711 ( -4.263 0.000 -0.701) 4.320 13.779 ( -7.420 0.000 -0.880) 7.472 14.024 ( 10.126 -0.000 -4.624) 11.131 14.086 ( 20.710 -0.000 -9.378) 22.734 14.721 ( 6.624 -0.000 2.368) 7.035 14.854 ( 4.890 -0.000 -2.775) 5.623 15.612 ( 1.441 -0.000 2.993) 3.321 15.696 ( 5.597 -0.000 -1.562) 5.811 16.393 ( -4.085 0.000 1.813) 4.469 16.494 ( -0.652 0.000 0.118) 0.663 16.580 ( 12.885 -0.000 6.070) 14.243 16.659 ( 3.098 -0.000 7.816) 8.408 16.757 ( -3.655 0.000 0.301) 3.668 17.086 ( 18.426 -0.000 -10.467) 21.191 20.341 ( 13.621 -0.000 -2.793) 13.905 20.404 ( 6.974 -0.000 -7.811) 10.471 21.095 ( 1.286 -0.000 8.141) 8.242 21.342 ( -8.620 0.000 -1.032) 8.682 22.264 ( 0.417 -0.000 5.882) 5.897 22.508 ( 2.378 -0.000 -5.677) 6.156 23.632 ( -4.171 0.000 22.491) 22.875 24.425 ( -0.841 0.000 -16.517) 16.538 ======================= Grid point 254 (82/125) ======================= q-point: ( 0.22 0.11 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.754 ( 18.774 -4.206 28.146) 34.094 2.962 ( 15.158 -15.757 31.606) 38.432 3.941 ( 4.822 6.899 -27.585) 28.840 4.319 ( 4.070 -12.537 -30.112) 32.871 5.173 ( 11.168 6.224 23.221) 26.508 5.551 ( 29.039 -9.652 39.848) 50.242 6.006 ( 5.586 10.292 5.113) 12.778 6.305 ( 10.057 -6.288 -5.929) 13.260 6.643 ( -16.742 6.853 11.662) 21.524 7.314 ( -34.741 -2.564 -4.304) 35.100 7.561 ( -17.429 0.957 1.983) 17.568 7.597 ( 2.564 0.565 -8.577) 8.970 8.006 ( -5.514 17.546 0.788) 18.409 8.404 ( -8.270 11.739 -0.820) 14.383 8.782 ( -0.421 -6.855 2.424) 7.283 9.125 ( 0.559 -3.200 -0.927) 3.378 9.491 ( 5.087 5.982 5.584) 9.636 9.594 ( 1.303 -0.633 0.161) 1.458 10.015 ( 6.973 -15.191 1.618) 16.793 10.228 ( -4.126 7.679 9.411) 12.828 10.360 ( -5.865 4.296 -12.114) 14.128 10.792 ( 7.746 -16.945 -14.615) 23.679 10.854 ( -7.080 -1.801 2.293) 7.656 11.517 ( 3.929 3.479 -14.664) 15.575 11.656 ( -13.976 2.873 9.812) 17.317 11.823 ( -6.156 0.900 0.679) 6.258 12.150 ( -9.920 4.366 2.247) 11.069 12.356 ( -8.536 -0.758 0.928) 8.619 12.467 ( -3.910 -0.692 1.241) 4.160 12.639 ( -14.654 -0.988 -9.832) 17.674 12.997 ( -12.548 5.905 -0.777) 13.889 13.087 ( -12.349 3.723 -2.329) 13.106 13.583 ( 0.795 6.140 5.180) 8.072 13.807 ( -2.843 -6.556 -4.585) 8.490 14.121 ( 6.089 1.903 -1.519) 6.558 14.286 ( 12.247 5.913 -10.244) 17.026 14.880 ( 8.850 -6.044 2.548) 11.016 15.006 ( 8.272 -6.982 -2.805) 11.182 15.600 ( 0.079 1.451 4.704) 4.924 15.760 ( 1.619 -0.563 -2.420) 2.966 16.332 ( -4.181 0.946 2.486) 4.955 16.427 ( -3.616 5.388 -0.841) 6.543 16.574 ( -3.955 -3.094 8.528) 9.896 16.736 ( -1.109 -4.080 4.778) 6.380 16.940 ( 12.309 -8.575 -0.068) 15.001 17.342 ( 17.697 0.927 -12.331) 21.590 20.476 ( 11.932 5.723 -2.016) 13.386 20.591 ( 16.987 -0.767 -5.795) 17.964 21.091 ( -0.677 2.709 7.434) 7.941 21.248 ( -6.430 -2.039 2.100) 7.065 22.312 ( 2.502 -3.906 7.649) 8.946 22.597 ( 4.581 -5.222 -6.126) 9.262 23.525 ( -5.074 4.730 23.280) 24.291 24.380 ( -2.850 2.383 -18.498) 18.867 ======================= Grid point 255 (83/125) ======================= q-point: ( 0.33 0.11 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.215 ( 24.083 -13.472 19.391) 33.727 3.475 ( 19.559 -18.897 25.302) 37.146 4.021 ( 14.650 -0.356 -19.367) 24.286 4.569 ( 2.675 -10.493 -21.957) 24.482 5.187 ( 5.239 7.320 19.664) 21.626 5.871 ( 3.261 12.460 -1.584) 12.976 6.040 ( 15.454 -7.023 22.915) 28.517 6.306 ( -9.565 16.936 22.515) 29.753 6.563 ( 13.725 -3.485 2.662) 14.408 6.831 ( -30.661 -4.781 -0.326) 31.034 7.026 ( -32.730 12.015 -5.130) 35.241 7.568 ( -3.488 8.598 -11.761) 14.980 7.934 ( 7.339 -0.265 -2.046) 7.623 8.253 ( 7.824 0.329 -14.045) 16.081 8.870 ( 2.963 3.184 13.364) 14.053 9.073 ( -3.339 9.205 9.212) 13.444 9.414 ( -2.485 -2.351 12.911) 13.356 9.769 ( -4.000 -16.378 2.305) 17.016 10.060 ( -5.876 10.012 4.892) 12.598 10.148 ( -9.528 -3.241 -0.835) 10.099 10.359 ( 9.591 -13.067 0.654) 16.222 10.699 ( -8.521 6.462 -1.275) 10.770 11.070 ( -1.703 -9.419 -16.047) 18.685 11.512 ( 2.231 -3.232 -6.681) 7.750 11.564 ( 1.459 1.802 -5.180) 5.675 11.696 ( -9.645 -0.222 -3.120) 10.140 11.995 ( -3.849 3.902 1.499) 5.682 12.303 ( -2.709 -0.938 -3.257) 4.339 12.398 ( -8.331 2.482 -5.850) 10.478 12.471 ( -7.805 -2.366 0.940) 8.210 12.738 ( -10.185 4.790 -2.147) 11.458 12.832 ( -11.620 6.238 -3.704) 13.699 13.553 ( 4.696 3.831 7.397) 9.563 13.874 ( -0.478 -5.020 -6.152) 7.955 14.154 ( 2.546 1.122 -0.243) 2.793 14.300 ( 6.792 8.341 -8.852) 13.931 15.097 ( 7.704 -5.565 1.927) 9.697 15.228 ( 7.400 -5.582 -3.220) 9.813 15.601 ( 1.171 -1.230 4.643) 4.944 15.770 ( 0.042 0.030 -2.588) 2.589 16.211 ( -8.157 4.090 1.606) 9.265 16.294 ( -3.053 3.392 -1.427) 4.781 16.607 ( -6.169 -8.602 10.677) 15.035 16.789 ( -3.386 -6.725 5.264) 9.187 17.200 ( 5.447 -8.252 -3.116) 10.367 17.531 ( 11.975 2.348 -13.053) 17.869 20.521 ( 9.557 9.242 5.042) 14.219 20.839 ( 18.624 3.148 -8.456) 20.695 21.022 ( 0.315 3.157 7.059) 7.740 21.204 ( -1.727 0.712 -0.442) 1.919 22.450 ( 4.653 -7.209 11.134) 14.057 22.773 ( 6.310 -6.467 -5.019) 10.336 23.371 ( -4.764 5.611 23.049) 24.196 24.280 ( -5.102 3.173 -19.462) 20.368 ======================= Grid point 256 (84/125) ======================= q-point: ( 0.44 0.11 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.737 ( 20.441 -11.615 16.049) 28.466 4.005 ( 15.658 -9.496 18.055) 25.716 4.277 ( 15.292 -1.214 -3.052) 15.641 4.627 ( -0.302 3.079 -5.094) 5.960 5.158 ( -0.234 -1.264 14.332) 14.389 5.707 ( -15.786 17.197 11.011) 25.810 5.788 ( -11.060 0.310 -8.100) 13.712 6.170 ( -9.374 5.799 -5.440) 12.292 6.354 ( -20.009 4.814 8.908) 22.425 6.729 ( 3.758 -4.845 -2.827) 6.752 6.964 ( 20.135 -2.013 5.916) 21.082 7.344 ( 0.249 10.728 -7.514) 13.100 8.149 ( 10.285 -7.749 -3.192) 13.267 8.458 ( 3.729 -4.491 -7.153) 9.232 8.678 ( -3.987 14.348 6.255) 16.152 8.913 ( 1.841 5.679 10.707) 12.259 9.443 ( -8.147 -5.758 20.443) 22.748 9.742 ( -14.220 -4.924 16.739) 22.508 9.997 ( 11.925 3.094 -1.984) 12.479 10.220 ( -9.421 -15.349 8.299) 19.830 10.524 ( 1.127 2.637 -2.897) 4.076 10.669 ( 9.376 -8.409 -3.131) 12.978 11.079 ( -8.726 -4.662 -15.665) 18.527 11.478 ( -7.719 3.260 -20.515) 22.160 11.575 ( -1.809 1.583 2.410) 3.404 11.670 ( -1.233 -4.944 -6.225) 8.045 11.940 ( 2.328 0.703 -2.186) 3.270 12.190 ( -8.660 3.149 -9.352) 13.129 12.334 ( 1.147 -2.162 5.002) 5.569 12.411 ( -7.058 -2.133 3.360) 8.103 12.610 ( -9.143 1.341 -4.998) 10.506 12.648 ( 1.478 -0.247 -6.282) 6.458 13.579 ( 7.239 4.250 7.585) 11.313 13.934 ( 0.116 -3.052 -6.058) 6.784 14.170 ( 1.034 0.140 -0.544) 1.177 14.250 ( 4.543 8.413 -6.998) 11.848 15.236 ( 4.188 -1.684 0.409) 4.532 15.350 ( 3.062 -0.848 -4.429) 5.451 15.666 ( 1.460 -3.579 3.623) 5.297 15.758 ( -2.402 1.010 -0.357) 2.630 16.050 ( -6.256 1.167 3.874) 7.451 16.224 ( -3.522 -0.071 -4.152) 5.445 16.628 ( -8.433 -7.489 10.599) 15.477 16.830 ( -6.147 -7.264 5.606) 11.044 17.324 ( -3.257 -5.967 -4.988) 8.432 17.596 ( 4.187 4.465 -12.597) 14.005 20.458 ( 2.611 9.689 9.930) 14.117 20.907 ( 2.997 7.224 -7.151) 10.597 21.064 ( 8.870 3.564 3.100) 10.050 21.251 ( 15.636 3.321 -3.311) 16.324 22.642 ( 5.522 -8.119 13.918) 17.033 22.905 ( 3.649 0.994 3.323) 5.034 23.256 ( -2.151 1.672 15.507) 15.744 24.155 ( -7.053 1.245 -19.662) 20.926 ======================= Grid point 257 (85/125) ======================= q-point: (-0.44 0.11 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.886 ( -2.296 24.003 10.712) 26.385 4.061 ( 6.974 1.075 9.023) 11.455 4.233 ( -16.822 17.638 16.048) 29.182 4.731 ( 16.557 -3.798 -2.033) 17.109 5.247 ( -13.329 -10.978 7.901) 18.989 5.281 ( -6.266 8.326 11.333) 15.396 5.689 ( -0.468 -1.227 0.482) 1.399 5.998 ( -4.162 -15.062 -18.162) 23.959 6.274 ( -7.605 -4.147 12.598) 15.289 6.868 ( 6.468 5.423 -10.080) 13.147 7.138 ( 14.436 -1.928 8.137) 16.682 7.457 ( 14.675 -5.238 -4.607) 16.249 8.115 ( -12.350 13.381 10.341) 20.941 8.446 ( 5.285 -5.268 3.168) 8.107 8.706 ( 4.799 -1.956 0.113) 5.184 8.808 ( 3.811 14.479 -16.808) 22.510 9.481 ( -0.625 -10.814 22.012) 24.533 9.700 ( -5.922 -5.167 27.991) 29.074 10.109 ( -4.557 -1.045 -6.358) 7.892 10.257 ( 11.386 -3.422 11.786) 16.741 10.708 ( 3.666 -12.122 -0.132) 12.665 10.823 ( 8.666 5.813 -0.120) 10.435 11.017 ( -11.035 -8.389 -18.196) 22.874 11.332 ( -10.047 -0.650 -23.599) 25.657 11.505 ( -4.510 -0.639 3.608) 5.810 11.661 ( -2.059 -0.535 -6.799) 7.124 11.951 ( -1.196 2.253 -3.711) 4.503 12.110 ( -1.630 -3.029 -5.801) 6.744 12.378 ( -6.055 -6.308 1.907) 8.950 12.456 ( 7.751 -5.227 4.014) 10.174 12.512 ( -6.406 -3.716 -3.313) 8.113 12.779 ( 11.189 -3.868 -7.377) 13.949 13.622 ( 8.145 4.546 6.297) 11.254 13.967 ( 0.507 -0.664 -6.459) 6.513 14.145 ( -0.676 4.383 -1.886) 4.819 14.215 ( 5.272 4.270 -3.465) 7.618 15.277 ( 1.291 1.454 -1.349) 2.367 15.341 ( -2.922 2.926 -5.013) 6.499 15.642 ( -7.933 2.206 2.730) 8.675 15.699 ( -3.302 -1.569 0.614) 3.707 16.048 ( 0.848 -4.686 4.831) 6.783 16.207 ( -2.478 -3.443 -2.954) 5.169 16.599 ( -8.689 -5.037 9.498) 13.823 16.826 ( -9.595 -6.747 4.371) 12.518 17.296 ( -8.546 -2.013 -5.538) 10.380 17.513 ( -2.607 7.789 -11.069) 13.783 20.335 ( -1.443 6.910 9.232) 11.622 20.774 ( -3.438 8.375 -8.859) 12.666 21.155 ( 13.461 5.261 7.421) 16.246 21.460 ( 21.578 6.177 -6.544) 23.379 22.822 ( 3.380 4.508 7.208) 9.149 22.831 ( -0.676 -1.414 20.988) 21.047 23.246 ( 0.384 0.590 5.946) 5.987 24.074 ( -6.889 -4.473 -19.257) 20.935 ======================= Grid point 258 (86/125) ======================= q-point: (-0.33 0.11 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.378 ( -8.720 29.675 14.733) 34.259 3.653 ( -19.254 19.980 24.910) 37.289 3.980 ( 1.953 10.258 -9.053) 13.820 4.742 ( -16.092 10.969 -20.462) 28.249 5.046 ( 5.844 -0.635 12.174) 13.519 5.411 ( 5.087 -6.481 14.296) 16.500 5.990 ( -1.054 -3.297 21.690) 21.965 6.080 ( 1.577 -11.371 -1.260) 11.549 6.242 ( -2.082 -4.677 8.331) 9.778 6.973 ( 11.265 -11.462 -7.709) 17.824 7.384 ( -5.466 -9.751 8.912) 14.296 7.708 ( 3.551 -8.933 -6.378) 11.537 7.890 ( 9.823 4.324 1.736) 10.872 8.511 ( 3.943 3.546 -4.260) 6.802 8.681 ( 7.513 6.956 -9.252) 13.800 8.810 ( 7.293 5.366 -8.556) 12.458 9.527 ( -5.668 3.449 17.337) 18.563 9.742 ( -5.679 -11.122 30.650) 33.096 10.020 ( -3.972 0.681 -2.708) 4.855 10.556 ( 14.724 -0.553 1.495) 14.810 10.717 ( 6.019 8.985 3.390) 11.334 10.897 ( -3.178 -10.179 -9.704) 14.419 11.054 ( -2.912 1.255 -8.639) 9.202 11.172 ( -9.554 -2.017 -22.105) 24.165 11.558 ( -2.330 -15.589 6.237) 16.951 11.735 ( 5.605 -5.865 -7.666) 11.162 11.909 ( -0.002 0.925 0.746) 1.188 12.154 ( -0.008 -4.268 -5.003) 6.576 12.414 ( -5.574 -7.983 1.536) 9.857 12.499 ( -7.493 -9.922 -4.964) 13.388 12.722 ( 12.088 -8.218 6.495) 15.995 13.052 ( 16.341 -5.175 -7.228) 18.602 13.669 ( 6.761 3.452 3.744) 8.464 13.953 ( 0.133 3.998 -8.507) 9.401 14.077 ( 1.745 3.774 2.748) 4.983 14.242 ( 7.633 4.271 -4.136) 9.675 15.142 ( -11.733 7.293 -1.494) 13.896 15.210 ( -8.094 3.989 -3.351) 9.626 15.543 ( -3.379 -0.064 1.789) 3.824 15.665 ( -4.122 -2.753 -3.302) 5.956 16.146 ( -0.247 -5.783 5.433) 7.939 16.257 ( 0.656 -5.175 0.844) 5.285 16.546 ( -6.359 -2.206 7.659) 10.196 16.761 ( -12.504 -5.426 3.192) 13.999 17.170 ( -8.121 2.094 -5.527) 10.044 17.304 ( -5.783 11.189 -8.800) 15.365 20.223 ( -2.945 3.572 6.263) 7.789 20.592 ( -4.084 7.908 -8.664) 12.420 21.255 ( 12.197 6.569 9.609) 16.860 21.638 ( 18.974 8.792 -8.064) 22.413 22.638 ( -3.476 9.777 14.468) 17.805 22.896 ( 1.317 4.180 3.621) 5.685 23.248 ( -0.403 -3.478 14.849) 15.256 24.103 ( -4.191 -9.114 -17.635) 20.288 ======================= Grid point 259 (87/125) ======================= q-point: (-0.22 0.11 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.882 ( -1.314 22.598 25.825) 34.341 3.118 ( -15.543 18.074 31.191) 39.257 3.951 ( 9.284 4.743 -19.778) 22.358 4.346 ( -14.854 7.734 -20.962) 26.830 5.139 ( 6.729 3.966 9.150) 12.030 5.373 ( -6.324 13.794 32.400) 35.777 5.859 ( 1.187 1.582 7.522) 7.778 6.070 ( -11.176 -0.957 -2.573) 11.508 6.638 ( 15.026 -19.163 21.007) 32.160 7.297 ( -8.322 -8.983 12.613) 17.579 7.500 ( 8.305 -26.238 -4.812) 27.938 7.783 ( -5.132 -6.151 -6.845) 10.537 8.185 ( 17.662 -3.872 -11.166) 21.251 8.559 ( 7.689 2.507 -16.378) 18.266 8.667 ( 1.190 6.085 -12.108) 13.603 8.777 ( -0.101 1.681 -0.553) 1.773 9.352 ( -5.922 4.562 16.280) 17.914 9.736 ( -8.809 -3.128 29.593) 31.034 10.041 ( 7.895 2.035 -6.064) 10.161 10.491 ( 2.016 12.875 3.475) 13.487 10.722 ( -16.334 7.787 -3.749) 18.480 10.795 ( 9.504 6.644 -5.730) 12.935 11.106 ( -7.143 -2.066 -16.036) 17.676 11.192 ( 7.529 -10.253 -14.342) 19.171 11.859 ( 0.984 -17.900 1.754) 18.012 11.902 ( 1.254 -1.578 -1.036) 2.266 11.977 ( 10.715 -9.418 7.709) 16.216 12.289 ( 6.012 -9.558 -2.232) 11.510 12.455 ( -5.444 -9.791 3.425) 11.715 12.588 ( -9.087 -15.605 -5.190) 18.788 13.006 ( 8.714 -8.734 6.687) 14.034 13.334 ( 11.740 -3.571 -6.656) 13.960 13.688 ( 0.714 2.218 0.956) 2.519 13.873 ( 1.973 6.175 -6.033) 8.855 14.083 ( 6.503 4.900 3.123) 8.721 14.312 ( 13.599 6.153 -5.372) 15.863 14.824 ( -17.494 6.157 0.174) 18.546 14.970 ( -12.935 5.012 -4.353) 14.539 15.522 ( -1.043 -0.154 0.832) 1.343 15.666 ( -2.458 -2.484 -5.241) 6.299 16.196 ( -3.406 -4.768 6.666) 8.875 16.374 ( 4.299 -4.789 0.458) 6.452 16.493 ( -3.260 -0.305 6.483) 7.263 16.658 ( -10.724 -3.670 5.157) 12.453 17.033 ( -3.965 5.980 -9.069) 11.564 17.046 ( -4.319 10.553 -2.928) 11.772 20.148 ( -2.825 0.871 3.032) 4.235 20.437 ( -2.561 6.002 -8.383) 10.623 21.274 ( 5.679 7.938 10.585) 14.398 21.711 ( 11.213 10.262 -9.537) 17.945 22.460 ( -2.023 8.027 11.117) 13.860 22.766 ( -1.473 9.973 -4.264) 10.946 23.355 ( 0.440 -9.262 23.522) 25.283 24.205 ( -1.683 -9.246 -15.515) 18.139 ======================= Grid point 260 (88/125) ======================= q-point: (-0.11 0.11 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.690 ( 0.000 12.842 35.931) 38.157 2.709 ( 0.000 11.061 36.363) 38.008 3.950 ( 0.000 7.227 -14.541) 16.238 4.200 ( -0.000 -2.381 -31.132) 31.223 4.980 ( 0.000 21.766 47.179) 51.957 5.147 ( 0.000 3.155 7.061) 7.734 5.881 ( 0.000 2.730 16.750) 16.971 5.990 ( -0.000 -3.286 -18.578) 18.867 7.037 ( -0.000 -17.098 15.911) 23.356 7.373 ( -0.000 -10.324 17.113) 19.987 7.781 ( 0.000 1.168 -4.028) 4.194 8.020 ( -0.000 -24.386 -15.901) 29.113 8.208 ( 0.000 12.694 -17.220) 21.393 8.605 ( -0.000 -8.421 -20.212) 21.896 8.690 ( -0.000 -2.582 1.333) 2.906 8.855 ( -0.000 -15.884 1.478) 15.953 9.265 ( 0.000 2.866 15.892) 16.149 9.671 ( 0.000 4.187 29.562) 29.857 10.045 ( 0.000 9.289 -13.140) 16.092 10.349 ( 0.000 6.996 -1.614) 7.179 10.408 ( 0.000 13.083 -0.013) 13.083 10.728 ( 0.000 9.162 -12.002) 15.099 11.058 ( 0.000 2.709 -8.658) 9.072 11.368 ( -0.000 -6.389 -15.084) 16.381 11.908 ( 0.000 0.980 3.314) 3.455 12.023 ( -0.000 -5.560 -1.801) 5.844 12.328 ( -0.000 -17.331 11.908) 21.027 12.518 ( -0.000 -13.292 9.550) 16.367 12.671 ( -0.000 -12.957 0.591) 12.970 12.688 ( -0.000 -16.464 -5.982) 17.517 13.207 ( -0.000 -9.257 3.068) 9.752 13.442 ( 0.000 0.059 -4.065) 4.066 13.629 ( 0.000 2.841 0.036) 2.841 13.838 ( 0.000 3.308 -8.515) 9.135 14.025 ( 0.000 9.493 4.089) 10.336 14.355 ( 0.000 11.920 -11.551) 16.599 14.564 ( 0.000 1.205 6.841) 6.947 14.814 ( 0.000 1.995 -4.573) 4.989 15.508 ( 0.000 0.417 0.259) 0.491 15.655 ( 0.000 1.260 -5.599) 5.739 16.218 ( -0.000 -2.716 7.694) 8.160 16.480 ( -0.000 -2.719 -4.322) 5.106 16.485 ( -0.000 -1.562 6.037) 6.236 16.617 ( -0.000 -3.190 9.121) 9.663 16.831 ( 0.000 10.156 -4.364) 11.054 16.948 ( 0.000 4.574 -4.312) 6.286 20.125 ( -0.000 -0.795 0.464) 0.921 20.348 ( 0.000 3.305 -8.862) 9.458 21.191 ( 0.000 7.105 10.529) 12.702 21.642 ( 0.000 8.837 -10.390) 13.640 22.347 ( 0.000 5.359 7.793) 9.458 22.612 ( 0.000 8.263 -5.202) 9.765 23.509 ( -0.000 -9.952 24.725) 26.652 24.319 ( -0.000 -6.922 -14.032) 15.647 ======================= Grid point 263 (89/125) ======================= q-point: ( 0.22 0.22 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.998 ( 20.439 -0.000 28.487) 35.061 3.148 ( 27.942 -0.000 21.127) 35.030 4.137 ( 9.900 -0.000 -25.179) 27.055 4.239 ( 6.056 -0.000 -29.905) 30.512 5.418 ( 12.460 -0.000 19.585) 23.213 5.877 ( 22.829 -0.000 30.655) 38.222 6.256 ( -2.265 0.000 -7.739) 8.064 6.295 ( 13.744 -0.000 17.072) 21.917 6.520 ( -0.838 0.000 3.704) 3.797 6.745 ( -42.761 0.000 1.840) 42.801 7.275 ( -25.493 0.000 0.550) 25.499 7.643 ( 3.173 -0.000 -12.620) 13.013 8.187 ( -3.004 0.000 4.990) 5.825 8.341 ( 5.498 -0.000 17.849) 18.676 8.687 ( -8.386 0.000 -0.559) 8.405 9.084 ( 4.222 -0.000 -13.754) 14.387 9.413 ( -13.317 0.000 10.506) 16.962 9.770 ( -4.797 0.000 -0.014) 4.797 9.902 ( 11.561 -0.000 8.364) 14.269 10.145 ( -9.127 0.000 -4.188) 10.042 10.383 ( -18.000 0.000 0.890) 18.022 10.757 ( 17.159 -0.000 -23.721) 29.276 10.798 ( 1.055 -0.000 13.222) 13.264 11.517 ( -9.877 0.000 3.402) 10.446 11.607 ( 4.802 -0.000 -14.308) 15.092 11.687 ( -14.322 0.000 -2.708) 14.576 12.010 ( -10.134 0.000 1.338) 10.222 12.189 ( -7.920 0.000 2.667) 8.357 12.457 ( -10.233 0.000 -10.311) 14.527 12.486 ( 2.271 -0.000 -4.647) 5.172 12.870 ( -12.418 0.000 -2.321) 12.633 12.912 ( -14.940 0.000 -0.516) 14.949 13.689 ( -0.052 0.000 2.117) 2.117 13.711 ( 3.765 -0.000 0.514) 3.800 14.178 ( 0.545 -0.000 1.208) 1.325 14.470 ( 5.663 -0.000 -12.208) 13.458 15.016 ( 15.381 -0.000 1.167) 15.426 15.085 ( 11.070 -0.000 -1.581) 11.183 15.596 ( -1.579 0.000 5.000) 5.243 15.765 ( -0.638 0.000 -2.659) 2.735 16.288 ( -4.439 0.000 4.721) 6.480 16.351 ( -8.399 0.000 7.310) 11.134 16.541 ( -4.810 0.000 -3.484) 5.939 16.548 ( -10.837 0.000 -0.279) 10.840 17.068 ( 10.704 -0.000 5.723) 12.138 17.573 ( 13.267 -0.000 -14.096) 19.357 20.709 ( 14.313 -0.000 0.005) 14.313 20.884 ( 23.020 -0.000 -5.935) 23.773 21.149 ( -3.175 0.000 7.919) 8.532 21.150 ( 2.528 -0.000 5.202) 5.784 22.340 ( 5.623 -0.000 7.277) 9.196 22.637 ( 7.030 -0.000 -6.825) 9.798 23.476 ( -6.562 0.000 22.770) 23.697 24.332 ( -6.241 0.000 -19.164) 20.154 ======================= Grid point 264 (90/125) ======================= q-point: ( 0.33 0.22 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.384 ( 24.017 -8.335 21.644) 33.388 3.631 ( 29.878 -7.885 16.360) 34.964 4.258 ( 16.437 1.655 -19.806) 25.791 4.482 ( 8.688 -10.809 -22.035) 26.036 5.413 ( 1.469 14.816 15.920) 21.797 5.887 ( -16.393 1.794 -4.938) 17.214 6.096 ( -39.864 4.358 6.383) 40.607 6.283 ( 9.633 3.718 18.579) 21.255 6.544 ( 12.973 -3.637 8.226) 15.786 6.684 ( -2.907 0.778 3.884) 4.913 6.891 ( 1.399 5.118 6.202) 8.162 7.644 ( -0.433 4.162 -5.646) 7.028 8.067 ( 5.615 6.439 -1.491) 8.672 8.446 ( 5.305 9.132 -6.241) 12.267 8.718 ( 0.070 -20.093 19.354) 27.899 9.112 ( -5.513 4.267 9.925) 12.129 9.352 ( -11.508 -17.486 5.193) 21.568 9.455 ( -9.517 13.746 8.251) 18.645 9.957 ( -16.960 4.497 0.191) 17.547 10.127 ( -5.011 -0.489 -4.157) 6.529 10.242 ( 7.292 -15.207 -1.808) 16.962 10.776 ( 3.149 7.064 10.659) 13.170 11.011 ( 7.227 -0.380 -20.347) 21.595 11.407 ( -5.112 -5.270 -1.363) 7.468 11.474 ( -18.447 -3.180 -7.978) 20.348 11.664 ( 4.714 2.043 -9.585) 10.875 11.911 ( -5.358 -2.317 -1.367) 5.995 12.142 ( -7.261 -5.078 -4.611) 9.989 12.333 ( -3.802 2.741 -3.178) 5.663 12.503 ( 2.262 3.429 -4.628) 6.188 12.641 ( -12.539 3.255 -1.235) 13.014 12.723 ( -10.657 0.974 -3.984) 11.419 13.681 ( 4.092 2.123 4.760) 6.627 13.811 ( 3.063 -3.598 -1.556) 4.974 14.169 ( -0.917 -0.243 3.142) 3.282 14.489 ( 4.209 5.090 -11.039) 12.864 15.207 ( 11.957 1.119 1.018) 12.053 15.290 ( 10.732 -3.067 -2.239) 11.384 15.582 ( -0.940 -1.399 4.812) 5.099 15.743 ( -3.207 -1.088 -2.755) 4.365 16.135 ( -9.993 3.900 3.721) 11.354 16.303 ( -6.139 5.574 -3.016) 8.823 16.331 ( -10.680 -9.203 8.140) 16.279 16.572 ( -8.641 -9.336 -2.320) 12.931 17.189 ( 3.646 -2.151 4.822) 6.416 17.703 ( 7.294 2.119 -15.322) 17.101 20.810 ( 8.669 11.381 7.685) 16.240 21.106 ( 6.919 -2.296 4.741) 8.696 21.136 ( 7.233 6.406 -0.042) 9.662 21.304 ( 20.664 -0.706 -3.414) 20.956 22.455 ( 6.782 -2.974 9.886) 12.352 22.792 ( 8.579 -4.994 -6.452) 11.839 23.358 ( -6.075 3.014 21.692) 22.728 24.210 ( -9.341 1.457 -18.953) 21.180 ======================= Grid point 265 (91/125) ======================= q-point: ( 0.44 0.22 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.860 ( 21.093 -10.246 17.614) 29.329 4.152 ( 21.429 -9.006 13.661) 26.961 4.501 ( 11.285 3.087 -9.273) 14.929 4.717 ( 11.147 -2.684 -8.527) 14.288 5.159 ( -6.294 7.794 6.677) 12.039 5.409 ( -35.502 2.229 -4.874) 35.904 5.681 ( -10.618 5.211 4.306) 12.587 6.107 ( -15.917 14.393 -11.608) 24.398 6.354 ( -1.914 10.893 24.475) 26.857 6.833 ( 17.419 -3.267 0.285) 17.725 7.237 ( 21.429 -3.011 7.851) 23.019 7.494 ( -3.321 9.852 -0.312) 10.402 8.175 ( 8.332 -6.453 -1.682) 10.672 8.462 ( 0.650 -0.540 -1.953) 2.128 8.806 ( -8.163 11.408 7.419) 15.869 9.010 ( 10.361 -3.976 17.681) 20.875 9.269 ( -6.637 -0.502 13.901) 15.412 9.421 ( -12.332 -10.818 7.642) 18.097 9.792 ( -11.792 -16.527 11.624) 23.395 10.158 ( 3.700 -3.063 -5.170) 7.057 10.481 ( -1.581 -4.277 -6.330) 7.801 10.730 ( 4.635 -2.821 3.287) 6.344 10.994 ( -0.541 5.013 -13.728) 14.624 11.246 ( -19.765 -4.119 -10.467) 22.741 11.526 ( -0.620 -8.459 -8.147) 11.761 11.646 ( 0.413 5.516 -2.873) 6.233 11.946 ( 1.166 -4.850 -8.939) 10.237 12.059 ( -8.732 0.536 -10.046) 13.321 12.295 ( -2.194 -0.067 2.123) 3.054 12.391 ( -1.531 2.907 4.663) 5.704 12.493 ( -8.451 1.102 -5.880) 10.354 12.677 ( 4.295 -2.335 -7.622) 9.055 13.722 ( 4.175 0.971 6.060) 7.422 13.901 ( 3.219 -2.513 -1.916) 4.511 14.175 ( 0.937 -0.518 3.192) 3.367 14.460 ( 6.083 7.932 -9.471) 13.770 15.304 ( 4.645 1.761 0.581) 5.002 15.406 ( 3.632 1.838 -3.333) 5.261 15.608 ( -3.007 -3.499 2.978) 5.491 15.695 ( -6.639 -0.708 -0.375) 6.687 15.971 ( -5.183 0.289 4.221) 6.691 16.143 ( -8.464 0.020 -2.977) 8.972 16.358 ( -7.446 -9.292 5.344) 13.051 16.576 ( -10.573 -9.057 -1.522) 14.005 17.231 ( -1.551 -1.520 3.407) 4.040 17.714 ( 2.056 5.117 -15.276) 16.240 20.667 ( 1.406 13.901 11.423) 18.047 21.069 ( 1.260 9.359 -5.019) 10.694 21.288 ( 15.999 1.827 8.482) 18.200 21.629 ( 26.473 3.808 -7.680) 27.827 22.605 ( 3.862 -6.392 15.914) 17.579 22.970 ( 5.693 -1.869 -0.428) 6.008 23.252 ( -1.384 1.588 13.348) 13.513 24.034 ( -12.070 1.322 -18.293) 21.956 ======================= Grid point 266 (92/125) ======================= q-point: (-0.44 0.22 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.130 ( -10.405 5.110 12.380) 16.960 4.254 ( 0.088 6.512 13.571) 15.053 4.297 ( 3.549 26.081 5.885) 26.971 4.871 ( -19.591 -4.246 -10.931) 22.833 4.996 ( 18.354 1.320 3.270) 18.690 5.275 ( 3.631 -4.358 -1.550) 5.880 5.638 ( 1.919 -8.898 3.401) 9.717 5.822 ( -1.117 0.832 -10.606) 10.697 6.187 ( -4.862 4.551 21.458) 22.467 7.057 ( 9.895 3.095 -11.948) 15.819 7.249 ( -3.057 6.226 11.409) 13.351 7.501 ( 1.896 -3.297 -1.004) 3.934 8.233 ( -0.779 14.683 15.763) 21.556 8.458 ( 8.073 -6.194 5.389) 11.515 8.787 ( 7.261 -0.569 2.273) 7.630 9.114 ( 9.416 8.194 -13.055) 18.062 9.295 ( 2.328 -13.495 19.011) 23.430 9.445 ( -9.008 -10.160 16.092) 21.055 9.918 ( -10.034 -10.580 15.982) 21.634 10.307 ( 4.597 -10.283 -7.386) 13.469 10.519 ( -1.713 -13.470 5.505) 14.652 10.812 ( -10.369 3.507 -12.557) 16.658 10.967 ( 6.876 -7.130 -3.291) 10.438 11.103 ( -8.277 -3.674 -11.426) 14.579 11.508 ( -5.028 6.752 -9.061) 12.368 11.587 ( -1.263 -1.439 -7.214) 7.464 11.925 ( -8.550 -1.449 -5.751) 10.406 12.034 ( 1.972 -1.509 -14.551) 14.762 12.240 ( -3.724 -1.935 3.362) 5.378 12.385 ( -5.467 -0.440 -4.568) 7.138 12.486 ( 7.059 -6.231 7.331) 11.933 12.855 ( 10.117 -6.914 -8.904) 15.147 13.752 ( 1.963 0.880 6.092) 6.461 13.978 ( 3.580 -0.925 -2.997) 4.760 14.205 ( 4.756 1.882 2.963) 5.911 14.437 ( 9.375 8.822 -6.361) 14.358 15.276 ( -7.578 1.467 -1.312) 7.830 15.317 ( -9.659 4.034 -3.819) 11.143 15.539 ( -5.174 -0.359 1.448) 5.384 15.630 ( -3.883 0.739 -1.064) 4.093 15.987 ( 0.107 -4.332 5.438) 6.954 16.093 ( -2.815 -4.792 0.841) 5.621 16.393 ( -6.032 -7.632 1.845) 9.901 16.550 ( -10.697 -7.700 -1.051) 13.222 17.199 ( -3.680 0.470 2.053) 4.240 17.613 ( -1.302 8.712 -13.768) 16.345 20.473 ( -0.211 12.353 10.574) 16.262 20.908 ( -0.493 12.022 -7.709) 14.290 21.464 ( 16.495 5.993 10.806) 20.610 21.905 ( 24.170 7.717 -9.505) 27.094 22.725 ( -3.718 -7.456 25.103) 26.450 22.961 ( 2.773 6.436 7.833) 10.510 23.291 ( 3.964 0.527 -0.889) 4.097 23.867 ( -12.105 -4.053 -17.832) 21.930 ======================= Grid point 267 (93/125) ======================= q-point: (-0.33 0.22 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.617 ( -16.524 20.029 18.263) 31.745 3.849 ( -1.324 31.606 14.502) 34.799 4.206 ( 5.711 9.729 -5.500) 12.550 4.589 ( -18.477 5.919 -15.603) 24.898 5.209 ( 14.445 1.401 2.202) 14.679 5.503 ( 13.784 -3.304 8.404) 16.479 5.813 ( -8.816 -9.392 2.922) 13.209 5.898 ( -2.967 -8.924 -2.478) 9.725 6.186 ( 6.083 -8.549 26.047) 28.080 7.087 ( 10.175 2.160 -4.319) 11.263 7.147 ( -9.969 -1.024 7.318) 12.409 7.495 ( -11.066 -6.227 -4.291) 13.403 8.164 ( 14.776 6.596 8.274) 18.174 8.558 ( 1.002 0.793 8.205) 8.304 8.868 ( 5.726 2.976 -1.616) 6.653 9.196 ( 16.251 10.810 -16.477) 25.543 9.432 ( -6.485 -8.056 20.995) 23.404 9.486 ( -6.104 -2.590 15.307) 16.682 9.947 ( 3.452 -10.177 1.948) 10.922 10.413 ( -20.678 -13.603 -7.583) 25.887 10.726 ( 2.260 -10.161 7.335) 12.734 10.840 ( 10.179 -6.530 2.108) 12.276 11.042 ( 0.556 -0.801 -4.716) 4.815 11.140 ( 2.512 -1.448 -11.490) 11.850 11.337 ( -8.035 0.086 -6.378) 10.259 11.635 ( 0.102 -8.823 -17.112) 19.253 11.876 ( -3.629 -3.588 -1.128) 5.226 12.074 ( -0.398 -3.813 -12.281) 12.866 12.249 ( -2.223 -4.108 3.000) 5.552 12.339 ( -3.462 -1.280 -2.328) 4.364 12.718 ( 6.566 -10.070 9.070) 15.060 13.131 ( 9.413 -9.368 -9.330) 16.230 13.753 ( 0.375 1.063 4.835) 4.964 14.004 ( 0.820 2.131 -5.796) 6.230 14.267 ( 12.326 5.583 4.414) 14.233 14.478 ( 12.973 6.287 -2.016) 14.556 14.993 ( -20.100 4.458 -2.731) 20.769 15.102 ( -14.635 3.884 -4.928) 15.924 15.513 ( -0.403 -0.166 -0.236) 0.496 15.586 ( -1.602 -1.072 -3.241) 3.770 16.048 ( -1.431 -4.949 7.143) 8.807 16.199 ( 4.400 -6.381 3.052) 8.330 16.404 ( -7.626 -6.159 0.983) 9.852 16.523 ( -5.865 -4.745 0.298) 7.550 17.127 ( -3.001 2.313 -0.092) 3.790 17.428 ( -2.065 11.993 -11.250) 16.573 20.300 ( -0.671 9.373 8.318) 12.549 20.712 ( -0.934 11.913 -8.680) 14.769 21.545 ( 10.193 9.108 12.058) 18.228 22.050 ( 15.507 11.144 -11.263) 22.170 22.679 ( -5.762 2.607 23.789) 24.615 22.958 ( 2.659 1.272 7.853) 8.388 23.253 ( -0.682 5.398 1.181) 5.568 23.873 ( -5.026 -11.967 -16.209) 20.765 ======================= Grid point 268 (94/125) ======================= q-point: (-0.22 0.22 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.199 ( 0.000 19.501 26.180) 32.645 3.353 ( 0.000 30.069 20.459) 36.369 4.195 ( 0.000 7.399 -14.183) 15.997 4.264 ( 0.000 8.129 -21.239) 22.742 5.272 ( 0.000 4.677 3.384) 5.773 5.557 ( 0.000 10.943 27.398) 29.502 5.882 ( -0.000 -4.691 -13.535) 14.325 5.887 ( -0.000 -5.595 12.816) 13.984 6.501 ( -0.000 -17.069 28.699) 33.391 7.081 ( -0.000 -5.747 12.569) 13.821 7.286 ( -0.000 -11.955 -5.829) 13.300 7.527 ( -0.000 -14.290 -8.379) 16.565 8.275 ( -0.000 -1.317 -6.916) 7.040 8.548 ( -0.000 -0.501 9.800) 9.813 8.844 ( 0.000 4.762 -3.943) 6.183 9.053 ( 0.000 24.398 -36.318) 43.752 9.343 ( 0.000 2.778 17.988) 18.201 9.567 ( -0.000 -10.199 37.787) 39.139 10.103 ( -0.000 -1.360 -14.567) 14.630 10.517 ( -0.000 -18.690 12.298) 22.373 10.698 ( 0.000 10.824 7.071) 12.929 10.986 ( 0.000 1.045 -22.272) 22.296 11.002 ( 0.000 6.440 -1.023) 6.521 11.166 ( -0.000 -2.653 -16.639) 16.849 11.511 ( -0.000 -25.811 6.934) 26.726 11.826 ( -0.000 -11.413 -12.559) 16.971 11.924 ( -0.000 -5.720 2.113) 6.098 12.183 ( -0.000 -11.829 -8.391) 14.503 12.288 ( -0.000 -3.318 3.432) 4.774 12.348 ( -0.000 -5.494 -1.468) 5.687 12.926 ( -0.000 -10.148 9.385) 13.823 13.337 ( -0.000 -7.431 -8.650) 11.404 13.731 ( 0.000 2.324 2.968) 3.770 13.952 ( 0.000 4.407 -6.311) 7.697 14.299 ( 0.000 7.911 4.866) 9.288 14.595 ( 0.000 1.114 7.867) 7.946 14.663 ( 0.000 8.840 -11.792) 14.738 14.896 ( 0.000 3.465 -6.233) 7.131 15.515 ( -0.000 -0.214 -0.502) 0.546 15.608 ( -0.000 -2.819 -4.524) 5.330 16.106 ( -0.000 -4.456 7.778) 8.964 16.368 ( -0.000 -4.471 -4.313) 6.212 16.389 ( -0.000 -6.474 8.452) 10.646 16.530 ( -0.000 -2.001 4.319) 4.760 17.062 ( 0.000 3.046 -3.299) 4.490 17.214 ( 0.000 13.622 -8.362) 15.984 20.180 ( 0.000 5.531 5.708) 7.948 20.540 ( 0.000 9.571 -8.722) 12.949 21.466 ( 0.000 10.320 11.994) 15.823 21.980 ( 0.000 12.580 -11.875) 17.300 22.558 ( 0.000 7.177 16.136) 17.660 22.901 ( 0.000 8.359 -0.928) 8.410 23.239 ( -0.000 -5.078 16.884) 17.631 24.029 ( -0.000 -11.943 -15.049) 19.212 ======================= Grid point 273 (95/125) ======================= q-point: ( 0.33 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.672 ( 25.051 -0.000 17.308) 30.449 3.988 ( 25.957 -0.000 10.406) 27.965 4.489 ( 9.952 -0.000 -20.409) 22.706 4.527 ( 13.054 -0.000 -15.140) 19.991 5.455 ( -27.114 0.000 1.422) 27.151 5.535 ( -23.903 0.000 -2.754) 24.061 5.740 ( -3.786 0.000 19.303) 19.671 6.329 ( -5.403 0.000 -4.503) 7.034 6.645 ( -5.212 0.000 22.043) 22.651 6.813 ( 20.665 -0.000 6.554) 21.679 7.103 ( 22.766 -0.000 4.997) 23.308 7.658 ( -3.038 0.000 -0.076) 3.039 8.236 ( 3.514 -0.000 -1.024) 3.660 8.346 ( -13.658 0.000 6.680) 15.204 8.748 ( 19.469 -0.000 11.796) 22.764 9.032 ( -9.455 0.000 24.100) 25.888 9.071 ( -7.522 0.000 2.473) 7.918 9.394 ( -10.862 0.000 -3.692) 11.473 9.715 ( -23.606 0.000 7.005) 24.624 10.103 ( 2.695 -0.000 -18.127) 18.327 10.175 ( 4.685 -0.000 10.671) 11.654 10.890 ( 1.204 -0.000 9.920) 9.993 11.058 ( -25.797 0.000 -10.083) 27.697 11.238 ( 12.911 -0.000 -19.927) 23.744 11.259 ( -7.876 0.000 -3.597) 8.658 11.772 ( 7.216 -0.000 -11.154) 13.285 11.818 ( -4.471 0.000 -1.129) 4.611 12.034 ( -3.483 0.000 -8.256) 8.960 12.321 ( -1.270 0.000 -2.176) 2.519 12.473 ( -13.559 0.000 1.337) 13.625 12.583 ( -7.279 0.000 -6.115) 9.506 12.587 ( 3.417 -0.000 -6.053) 6.951 13.717 ( 1.170 -0.000 4.030) 4.197 13.857 ( 4.408 -0.000 -2.460) 5.048 14.162 ( 1.814 -0.000 7.653) 7.865 14.585 ( 4.894 -0.000 -10.746) 11.808 15.390 ( 8.751 -0.000 1.669) 8.909 15.419 ( 8.841 -0.000 -2.372) 9.153 15.552 ( -0.019 0.000 4.639) 4.639 15.632 ( -11.128 0.000 -2.507) 11.407 16.056 ( -11.057 0.000 6.435) 12.793 16.078 ( -8.966 0.000 3.594) 9.659 16.258 ( -7.225 0.000 -1.069) 7.303 16.368 ( -6.948 0.000 -8.559) 11.024 17.211 ( 1.109 -0.000 7.208) 7.293 17.795 ( 3.408 -0.000 -17.128) 17.464 21.056 ( -0.390 0.000 11.071) 11.078 21.092 ( 7.355 -0.000 6.342) 9.712 21.314 ( 13.834 -0.000 6.327) 15.212 21.674 ( 28.135 -0.000 -10.334) 29.973 22.518 ( 3.600 -0.000 10.337) 10.946 22.869 ( 7.920 -0.000 -7.019) 10.583 23.306 ( -3.830 0.000 18.810) 19.196 24.069 ( -11.985 0.000 -17.445) 21.165 ======================= Grid point 274 (96/125) ======================= q-point: ( 0.44 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.034 ( 18.013 -4.068 12.784) 22.460 4.235 ( 1.610 -3.119 4.038) 5.351 4.627 ( -2.537 -6.338 -12.972) 14.659 4.649 ( -3.935 -5.404 -14.405) 15.881 5.159 ( 1.520 5.995 5.538) 8.302 5.277 ( 4.272 7.050 0.702) 8.273 5.690 ( -0.767 7.577 14.677) 16.535 6.153 ( -7.329 10.069 -8.384) 15.013 6.483 ( -5.714 10.813 26.857) 29.510 7.065 ( 16.333 1.219 0.251) 16.380 7.425 ( 11.435 -3.351 3.540) 12.430 7.539 ( -7.396 6.418 3.147) 10.286 8.184 ( 4.119 -4.119 4.562) 7.398 8.374 ( -2.868 -9.744 1.845) 10.324 8.804 ( -9.304 7.367 17.255) 20.942 9.083 ( 13.779 -7.982 23.975) 28.782 9.128 ( -6.227 -9.726 4.262) 12.310 9.304 ( 7.289 3.113 -6.374) 10.171 9.429 ( -15.135 -4.048 12.634) 20.126 10.104 ( -0.591 -2.127 -4.493) 5.006 10.363 ( 0.145 -11.133 -4.187) 11.896 10.607 ( -20.950 1.517 -4.663) 21.516 10.891 ( -16.025 -4.519 -9.772) 19.306 11.155 ( 4.692 4.997 3.068) 7.510 11.459 ( 7.106 -3.941 -15.763) 17.734 11.736 ( -0.228 4.360 -2.700) 5.133 11.875 ( -1.354 -1.208 -10.084) 10.246 12.014 ( 1.910 -0.925 -14.363) 14.519 12.265 ( -6.387 2.497 0.687) 6.892 12.336 ( -4.458 -2.366 1.788) 5.354 12.469 ( -2.024 3.350 -4.195) 5.738 12.682 ( 3.915 -4.309 -8.460) 10.270 13.735 ( 0.275 -0.753 5.060) 5.123 13.911 ( 1.166 -2.616 -2.949) 4.111 14.238 ( 9.230 0.626 8.353) 12.464 14.644 ( 7.721 3.653 -9.320) 12.642 15.339 ( -11.968 2.884 3.196) 12.719 15.413 ( -12.233 1.537 -1.593) 12.432 15.520 ( 4.322 0.112 -0.214) 4.329 15.640 ( 3.534 -1.397 0.353) 3.816 15.916 ( -4.131 0.011 5.223) 6.660 16.007 ( -5.819 -1.604 1.577) 6.239 16.191 ( -4.187 -3.357 -1.574) 5.593 16.327 ( -7.235 -6.012 -8.138) 12.438 17.213 ( -0.561 0.325 7.060) 7.090 17.800 ( 0.870 3.307 -17.610) 17.939 20.903 ( 0.992 14.258 12.218) 18.803 21.180 ( 1.017 1.897 0.713) 2.267 21.552 ( 18.865 0.414 11.739) 22.223 22.050 ( 26.202 1.963 -11.277) 28.593 22.534 ( -4.233 -3.197 15.793) 16.660 22.995 ( 4.022 -4.048 -5.560) 7.967 23.273 ( 1.294 1.178 11.718) 11.848 23.878 ( -12.881 1.885 -15.161) 19.983 ======================= Grid point 275 (97/125) ======================= q-point: (-0.44 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.010 ( -13.439 5.614 5.077) 15.424 4.331 ( -0.513 -2.127 1.639) 2.733 4.502 ( -7.965 -4.699 -4.799) 10.419 4.703 ( 4.176 8.681 -3.229) 10.160 5.275 ( 12.880 2.516 2.941) 13.449 5.382 ( 14.141 2.501 3.956) 14.896 5.591 ( 4.138 2.026 4.667) 6.558 5.893 ( -5.396 10.301 -9.145) 14.793 6.226 ( -5.674 9.121 30.892) 32.706 7.202 ( 3.641 2.966 0.773) 4.760 7.305 ( -2.943 9.004 -1.847) 9.651 7.459 ( -4.864 1.551 -1.253) 5.257 8.412 ( 4.786 -3.217 14.471) 15.577 8.497 ( 8.091 -1.476 12.559) 15.012 8.792 ( 4.863 -14.035 5.026) 15.681 9.047 ( -11.206 -5.139 2.144) 12.513 9.172 ( 1.212 0.146 19.985) 20.023 9.425 ( 0.013 -3.737 13.129) 13.650 9.665 ( 16.259 -13.915 1.716) 21.469 10.135 ( -9.158 -6.633 -6.701) 13.144 10.251 ( -13.824 -4.929 -1.130) 14.720 10.664 ( -5.183 -16.537 -13.469) 21.948 10.738 ( -6.545 -5.311 -7.473) 11.265 11.181 ( 5.547 3.807 7.440) 10.031 11.539 ( 2.160 3.127 -19.751) 20.114 11.636 ( -1.393 6.620 -4.056) 7.887 11.797 ( -5.615 0.273 -6.756) 8.789 12.081 ( 3.659 1.596 -22.973) 23.317 12.183 ( -2.458 -0.729 4.436) 5.124 12.305 ( -4.094 -2.147 -0.985) 4.727 12.481 ( 3.024 -3.555 4.866) 6.742 12.841 ( 4.628 -8.565 -9.716) 13.754 13.745 ( -0.571 -0.965 6.219) 6.319 13.973 ( 0.306 -3.724 -3.790) 5.322 14.386 ( 14.696 2.718 7.052) 16.525 14.692 ( 9.166 6.282 -4.228) 11.890 15.058 ( -20.507 0.314 0.878) 20.528 15.215 ( -11.920 3.543 -4.719) 13.301 15.537 ( 1.192 1.912 0.435) 2.295 15.646 ( 0.612 3.881 -2.648) 4.738 15.915 ( -1.311 -3.484 6.688) 7.654 16.021 ( 1.762 -4.677 3.979) 6.388 16.205 ( -5.163 -5.790 -1.891) 7.985 16.343 ( -3.694 -6.718 -8.144) 11.185 17.187 ( -1.004 1.530 5.987) 6.261 17.724 ( -0.326 7.076 -16.511) 17.966 20.685 ( 0.288 15.167 12.093) 19.400 21.087 ( 0.354 10.555 -4.966) 11.670 21.764 ( 14.004 4.472 13.646) 20.058 22.316 ( 17.969 5.273 -9.738) 21.107 22.523 ( -7.441 -7.126 21.343) 23.699 23.060 ( 1.203 0.770 2.497) 2.876 23.326 ( 3.059 -3.485 -0.782) 4.702 23.672 ( -10.454 1.989 -13.414) 17.122 ======================= Grid point 276 (98/125) ======================= q-point: (-0.33 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.744 ( 0.000 13.980 12.148) 18.521 4.308 ( -0.000 -0.324 -10.055) 10.060 4.328 ( 0.000 28.112 9.048) 29.532 4.565 ( 0.000 7.217 -2.642) 7.686 5.400 ( 0.000 2.374 -2.393) 3.371 5.473 ( -0.000 -8.868 8.114) 12.020 5.714 ( -0.000 -3.022 -10.745) 11.161 5.729 ( -0.000 -1.400 -2.888) 3.210 6.135 ( -0.000 -1.846 37.372) 37.418 7.079 ( 0.000 4.960 9.812) 10.994 7.295 ( 0.000 3.935 -12.489) 13.095 7.328 ( 0.000 2.573 -1.788) 3.133 8.418 ( 0.000 7.898 15.974) 17.820 8.555 ( 0.000 0.143 12.054) 12.054 8.921 ( 0.000 0.304 -1.397) 1.430 9.160 ( -0.000 -14.068 27.170) 30.596 9.374 ( -0.000 -17.855 -1.050) 17.886 9.429 ( 0.000 1.654 13.737) 13.836 9.921 ( -0.000 -0.196 -16.870) 16.871 10.042 ( -0.000 -3.098 -10.514) 10.961 10.398 ( -0.000 -26.463 14.797) 30.319 10.804 ( -0.000 -8.717 -7.483) 11.488 10.944 ( -0.000 -19.184 -3.019) 19.420 11.142 ( 0.000 6.753 7.602) 10.169 11.401 ( 0.000 11.450 -28.263) 30.495 11.585 ( 0.000 1.043 -6.125) 6.213 11.775 ( -0.000 -3.425 -3.609) 4.975 12.063 ( 0.000 1.682 -22.778) 22.840 12.193 ( -0.000 -2.105 4.577) 5.038 12.307 ( -0.000 -1.023 -0.119) 1.030 12.611 ( -0.000 -9.281 8.654) 12.689 13.036 ( -0.000 -11.152 -10.119) 15.058 13.752 ( -0.000 -0.589 6.193) 6.221 14.017 ( -0.000 -1.354 -5.388) 5.555 14.493 ( 0.000 5.015 5.437) 7.396 14.672 ( 0.000 4.195 9.365) 10.262 14.861 ( 0.000 3.358 -10.342) 10.873 15.025 ( 0.000 4.923 -7.261) 8.773 15.519 ( 0.000 1.125 -0.233) 1.149 15.591 ( 0.000 2.713 -3.293) 4.266 15.967 ( -0.000 -4.443 7.560) 8.769 16.154 ( -0.000 -7.936 8.231) 11.434 16.225 ( -0.000 -4.761 -4.375) 6.466 16.416 ( -0.000 -5.805 -5.831) 8.228 17.146 ( 0.000 2.505 3.846) 4.590 17.587 ( 0.000 10.331 -14.163) 17.530 20.470 ( 0.000 13.209 10.476) 16.859 20.902 ( 0.000 13.319 -7.779) 15.424 21.764 ( 0.000 8.621 13.429) 15.958 22.340 ( 0.000 10.351 -13.349) 16.892 22.577 ( -0.000 -7.768 28.625) 29.660 23.025 ( 0.000 4.250 5.962) 7.321 23.351 ( 0.000 5.683 -2.611) 6.254 23.645 ( -0.000 -10.611 -15.284) 18.606 ======================= Grid point 283 (99/125) ======================= q-point: ( 0.44 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.115 ( -10.843 0.000 -5.574) 12.192 4.196 ( 1.744 -0.000 0.120) 1.748 4.347 ( -5.860 0.000 -3.772) 6.969 4.698 ( 4.275 -0.000 -10.943) 11.749 5.329 ( 11.444 -0.000 7.506) 13.686 5.540 ( 22.507 -0.000 3.504) 22.778 5.779 ( 0.694 -0.000 15.930) 15.945 6.106 ( -11.969 0.000 -3.811) 12.561 6.485 ( -5.819 0.000 29.302) 29.874 7.272 ( 9.673 -0.000 -0.606) 9.692 7.478 ( -7.648 0.000 -0.281) 7.653 7.482 ( 0.458 -0.000 1.425) 1.497 8.191 ( 6.414 -0.000 5.968) 8.761 8.228 ( -3.139 0.000 4.065) 5.136 8.847 ( -3.216 0.000 8.793) 9.363 8.865 ( -5.315 0.000 24.660) 25.226 9.086 ( -8.355 0.000 17.450) 19.347 9.441 ( 10.811 -0.000 -5.979) 12.355 9.484 ( 21.859 -0.000 8.282) 23.376 10.101 ( -12.798 0.000 8.243) 15.223 10.165 ( -1.946 0.000 -18.593) 18.694 10.273 ( -21.431 0.000 -7.239) 22.621 10.699 ( -7.776 0.000 -11.297) 13.715 11.216 ( 1.319 -0.000 13.194) 13.260 11.584 ( 10.338 -0.000 -16.996) 19.893 11.761 ( 0.472 -0.000 -0.551) 0.725 11.838 ( -5.666 0.000 -19.866) 20.659 12.085 ( 8.016 -0.000 -12.952) 15.232 12.172 ( -6.578 0.000 6.880) 9.519 12.270 ( -3.926 0.000 -8.716) 9.559 12.471 ( -1.027 0.000 -1.134) 1.530 12.687 ( 2.416 -0.000 -8.770) 9.096 13.735 ( 0.179 -0.000 4.577) 4.581 13.881 ( -0.776 0.000 -1.364) 1.570 14.429 ( 15.889 -0.000 7.728) 17.669 14.790 ( 8.820 -0.000 -7.744) 11.737 15.060 ( -22.854 0.000 6.386) 23.729 15.280 ( -10.835 0.000 -4.588) 11.767 15.590 ( 3.182 -0.000 0.350) 3.201 15.705 ( 4.030 -0.000 1.693) 4.371 15.860 ( -2.151 0.000 6.394) 6.746 15.962 ( -0.659 0.000 1.994) 2.100 16.113 ( -3.153 0.000 -3.360) 4.608 16.203 ( -3.657 0.000 -12.532) 13.055 17.211 ( -0.317 0.000 7.782) 7.788 17.833 ( 0.232 -0.000 -18.758) 18.760 21.061 ( 0.325 -0.000 11.896) 11.901 21.173 ( 0.946 -0.000 5.223) 5.308 21.817 ( 17.257 -0.000 13.435) 21.870 22.393 ( -10.843 0.000 16.461) 19.711 22.410 ( 21.239 -0.000 -13.981) 25.428 22.966 ( -3.066 0.000 -10.562) 10.998 23.312 ( 2.194 -0.000 9.985) 10.224 23.740 ( -8.358 0.000 -10.685) 13.566 ======================= Grid point 284 (100/125) ======================= q-point: (-0.44 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.982 ( 0.000 4.121 -3.602) 5.473 4.203 ( -0.000 -5.746 -12.050) 13.350 4.410 ( -0.000 -5.379 6.388) 8.351 4.760 ( -0.000 -2.960 -9.193) 9.658 5.412 ( 0.000 1.190 7.118) 7.216 5.635 ( 0.000 15.930 16.121) 22.664 5.819 ( 0.000 5.028 -11.629) 12.670 5.862 ( 0.000 3.114 10.727) 11.169 6.340 ( 0.000 11.409 28.681) 30.867 7.308 ( 0.000 6.352 7.832) 10.084 7.376 ( 0.000 2.516 -11.408) 11.682 7.450 ( 0.000 2.799 0.744) 2.896 8.296 ( -0.000 -10.930 11.595) 15.934 8.455 ( -0.000 -22.881 3.292) 23.117 8.640 ( 0.000 8.232 15.958) 17.956 8.920 ( -0.000 -0.922 4.207) 4.307 9.190 ( -0.000 -18.001 26.414) 31.964 9.376 ( 0.000 15.968 14.951) 21.875 9.862 ( 0.000 1.253 -3.035) 3.284 9.882 ( -0.000 -9.120 -4.172) 10.029 10.047 ( -0.000 -1.731 -7.713) 7.905 10.343 ( -0.000 -16.123 -16.255) 22.894 10.651 ( -0.000 -1.256 -7.450) 7.555 11.234 ( -0.000 -0.641 13.593) 13.609 11.663 ( 0.000 3.453 1.960) 3.970 11.702 ( 0.000 6.914 -36.511) 37.160 11.766 ( 0.000 0.527 -2.408) 2.466 12.140 ( -0.000 -1.712 6.426) 6.650 12.173 ( 0.000 3.324 -30.479) 30.660 12.212 ( -0.000 -3.355 5.886) 6.775 12.469 ( -0.000 -0.753 2.165) 2.292 12.753 ( -0.000 -6.057 -9.433) 11.210 13.733 ( 0.000 0.015 5.402) 5.402 13.909 ( -0.000 -3.912 -1.921) 4.358 14.604 ( 0.000 2.224 5.038) 5.507 14.795 ( 0.000 2.735 9.483) 9.870 14.881 ( -0.000 -0.729 -6.323) 6.365 15.157 ( 0.000 2.869 -7.413) 7.949 15.587 ( 0.000 2.704 0.971) 2.873 15.715 ( 0.000 2.850 -0.627) 2.918 15.863 ( -0.000 -2.013 6.996) 7.280 15.973 ( -0.000 -2.655 4.321) 5.072 16.108 ( -0.000 -2.392 -4.343) 4.958 16.224 ( -0.000 -5.494 -12.055) 13.248 17.201 ( 0.000 0.972 7.422) 7.485 17.806 ( 0.000 3.811 -18.353) 18.744 20.917 ( 0.000 14.359 12.556) 19.074 21.195 ( 0.000 2.353 0.806) 2.487 21.950 ( 0.000 3.311 14.262) 14.642 22.317 ( -0.000 -5.365 20.367) 21.062 22.563 ( 0.000 3.940 -14.230) 14.765 22.984 ( -0.000 -7.581 -9.688) 12.301 23.321 ( 0.000 0.548 6.528) 6.551 23.652 ( 0.000 3.423 -8.643) 9.296 ======================= Grid point 324 (101/125) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.269 ( 0.000 0.000 -35.621) 35.621 3.269 ( 0.000 0.000 35.621) 35.621 3.476 ( 0.000 0.000 -42.127) 42.127 3.476 ( 0.000 0.000 42.127) 42.127 5.534 ( 0.000 0.000 -27.352) 27.352 5.534 ( 0.000 0.000 27.352) 27.352 5.576 ( 0.000 0.000 -36.628) 36.628 5.576 ( 0.000 0.000 36.629) 36.629 7.480 ( 0.000 0.000 -4.982) 4.982 7.480 ( 0.000 0.000 4.982) 4.982 7.691 ( 0.000 0.000 -0.451) 0.451 7.691 ( 0.000 0.000 0.451) 0.451 8.650 ( 0.000 0.000 -8.669) 8.669 8.650 ( 0.000 0.000 8.669) 8.669 9.220 ( 0.000 0.000 -25.760) 25.760 9.220 ( 0.000 0.000 25.760) 25.760 9.333 ( 0.000 0.000 -2.864) 2.864 9.333 ( 0.000 0.000 2.864) 2.864 9.908 ( 0.000 0.000 -15.950) 15.950 9.908 ( 0.000 0.000 15.950) 15.950 10.310 ( 0.000 0.000 -11.329) 11.329 10.310 ( 0.000 0.000 11.329) 11.329 11.128 ( 0.000 0.000 -14.330) 14.330 11.128 ( 0.000 0.000 14.330) 14.330 11.994 ( 0.000 0.000 -5.594) 5.594 11.994 ( 0.000 0.000 5.594) 5.594 12.867 ( 0.000 0.000 -8.744) 8.744 12.867 ( 0.000 0.000 8.744) 8.744 12.977 ( 0.000 0.000 -2.918) 2.918 12.977 ( 0.000 0.000 2.918) 2.918 13.382 ( 0.000 0.000 -1.716) 1.716 13.382 ( 0.000 0.000 1.716) 1.716 13.603 ( 0.000 0.000 -2.797) 2.797 13.603 ( 0.000 0.000 2.797) 2.797 13.910 ( 0.000 0.000 -3.873) 3.873 13.910 ( 0.000 0.000 3.873) 3.873 14.678 ( 0.000 0.000 -6.132) 6.132 14.678 ( 0.000 0.000 6.132) 6.132 15.524 ( 0.000 0.000 -0.348) 0.348 15.524 ( 0.000 0.000 0.348) 0.348 16.409 ( 0.000 0.000 -6.607) 6.607 16.409 ( 0.000 0.000 6.607) 6.607 16.610 ( 0.000 0.000 -4.053) 4.053 16.610 ( 0.000 0.000 4.053) 4.053 16.793 ( 0.000 0.000 -4.156) 4.156 16.793 ( 0.000 0.000 4.156) 4.156 20.165 ( 0.000 0.000 -3.495) 3.495 20.165 ( 0.000 0.000 3.495) 3.495 21.290 ( 0.000 0.000 -10.564) 10.564 21.290 ( 0.000 0.000 10.564) 10.564 22.373 ( 0.000 0.000 -5.224) 5.224 22.373 ( 0.000 0.000 5.224) 5.224 24.107 ( 0.000 0.000 -18.034) 18.034 24.107 ( 0.000 0.000 18.034) 18.034 ======================= Grid point 326 (102/125) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.266 ( -3.490 -0.735 -34.246) 34.431 3.266 ( -3.490 -0.735 34.246) 34.431 3.506 ( 4.358 -4.837 -37.474) 38.035 3.506 ( 4.358 -4.837 37.474) 38.035 5.520 ( 0.767 1.481 -23.715) 23.774 5.520 ( 0.767 1.481 23.715) 23.774 5.748 ( 12.558 -7.635 -27.957) 31.585 5.748 ( 12.558 -7.635 27.957) 31.585 7.394 ( -12.269 -1.435 -14.016) 18.682 7.394 ( -12.269 -1.435 14.016) 18.682 7.712 ( 1.619 1.162 -5.439) 5.792 7.712 ( 1.619 1.162 5.439) 5.792 8.440 ( -7.240 17.518 -11.381) 22.110 8.440 ( -7.240 17.518 11.381) 22.110 9.058 ( 4.035 15.459 -11.551) 19.715 9.058 ( 4.035 15.459 11.551) 19.715 9.455 ( -4.251 -10.242 -12.120) 16.427 9.455 ( -4.251 -10.242 12.120) 16.427 10.028 ( 1.457 -15.018 -11.598) 19.031 10.028 ( 1.457 -15.018 11.598) 19.031 10.409 ( 6.296 -4.380 -9.245) 12.012 10.409 ( 6.296 -4.380 9.245) 12.012 11.112 ( -0.528 1.749 -13.733) 13.854 11.112 ( -0.528 1.749 13.733) 13.854 11.983 ( -1.493 0.666 -4.361) 4.658 11.983 ( -1.493 0.666 4.361) 4.658 12.634 ( -14.989 14.211 -5.512) 21.378 12.634 ( -14.989 14.211 5.512) 21.378 12.865 ( -5.109 3.527 -3.532) 7.142 12.865 ( -5.109 3.527 3.532) 7.142 13.307 ( -7.162 3.439 -4.010) 8.900 13.307 ( -7.162 3.439 4.010) 8.900 13.684 ( 5.147 1.741 -0.929) 5.512 13.684 ( 5.147 1.741 0.929) 5.512 13.948 ( -2.555 -8.565 -2.853) 9.382 13.948 ( -2.555 -8.565 2.853) 9.382 14.741 ( 6.384 -3.237 -4.707) 8.567 14.741 ( 6.384 -3.237 4.707) 8.567 15.582 ( 5.614 -0.359 -2.963) 6.358 15.582 ( 5.614 -0.359 2.963) 6.358 16.408 ( 0.966 1.827 -3.245) 3.847 16.408 ( 0.966 1.827 3.245) 3.847 16.664 ( 7.506 -0.447 -8.023) 10.996 16.664 ( 7.506 -0.447 8.023) 10.996 16.808 ( -0.073 -3.007 -5.025) 5.856 16.808 ( -0.073 -3.007 5.025) 5.856 20.206 ( 5.005 -0.397 -3.718) 6.247 20.206 ( 5.005 -0.397 3.718) 6.247 21.305 ( -2.459 -3.421 -9.663) 10.542 21.305 ( -2.459 -3.421 9.663) 10.542 22.408 ( 0.723 -4.278 -5.819) 7.258 22.408 ( 0.723 -4.278 5.819) 7.258 24.061 ( -1.433 4.533 -19.012) 19.598 24.061 ( -1.433 4.533 19.012) 19.598 ======================= Grid point 328 (103/125) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.272 ( 2.313 -5.344 -29.579) 30.147 3.272 ( 2.313 -5.344 29.579) 30.147 3.765 ( 9.919 -14.286 -34.280) 38.439 3.765 ( 9.919 -14.286 34.280) 38.439 5.506 ( 2.776 3.993 -22.459) 22.980 5.506 ( 2.776 3.993 22.459) 22.980 6.064 ( 13.781 -6.236 -18.757) 24.096 6.064 ( 13.781 -6.236 18.757) 24.096 7.173 ( -14.640 5.618 -27.505) 31.661 7.173 ( -14.640 5.618 27.505) 31.661 7.707 ( -1.524 -0.365 -5.835) 6.042 7.707 ( -1.524 -0.365 5.835) 6.042 7.992 ( -16.040 16.510 -13.450) 26.660 7.992 ( -16.040 16.510 13.450) 26.660 8.913 ( 6.533 12.693 -6.706) 15.772 8.913 ( 6.533 12.693 6.706) 15.772 9.594 ( 1.961 -11.734 -10.187) 15.663 9.594 ( 1.961 -11.734 10.187) 15.663 10.293 ( -0.898 -15.755 -9.278) 18.306 10.293 ( -0.898 -15.755 9.278) 18.306 10.541 ( 2.858 -2.717 -17.957) 18.385 10.541 ( 2.858 -2.717 17.957) 18.385 11.056 ( 0.139 5.080 -10.433) 11.605 11.056 ( 0.139 5.080 10.433) 11.605 11.897 ( -7.457 3.454 -0.897) 8.267 11.897 ( -7.457 3.454 0.897) 8.267 12.242 ( -8.014 11.376 -7.673) 15.891 12.242 ( -8.014 11.376 7.673) 15.891 12.723 ( -6.019 4.291 -3.848) 8.333 12.723 ( -6.019 4.291 3.848) 8.333 13.078 ( -12.609 7.293 -5.308) 15.503 13.078 ( -12.609 7.293 5.308) 15.503 13.688 ( -1.006 -0.424 -6.578) 6.668 13.688 ( -1.006 -0.424 6.578) 6.668 14.045 ( 2.519 -2.921 -1.899) 4.299 14.045 ( 2.519 -2.921 1.899) 4.299 14.944 ( 8.549 -7.927 -3.537) 12.183 14.944 ( 8.549 -7.927 3.537) 12.183 15.641 ( 3.678 1.371 -4.583) 6.034 15.641 ( 3.678 1.371 4.583) 6.034 16.362 ( -1.650 3.536 -1.207) 4.084 16.362 ( -1.650 3.536 1.207) 4.084 16.799 ( 8.924 0.225 -9.222) 12.835 16.799 ( 8.924 0.225 9.222) 12.835 16.928 ( 7.061 -7.284 -4.073) 10.932 16.928 ( 7.061 -7.284 4.073) 10.932 20.308 ( 8.454 -0.161 -5.287) 9.972 20.308 ( 8.454 -0.161 5.287) 9.972 21.292 ( -7.008 -3.077 -7.852) 10.965 21.292 ( -7.008 -3.077 7.852) 10.965 22.528 ( 2.379 -8.571 -6.847) 11.225 22.528 ( 2.379 -8.571 6.847) 11.225 23.946 ( -1.876 7.003 -21.203) 22.408 23.946 ( -1.876 7.003 21.203) 22.408 ======================= Grid point 330 (104/125) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.535 ( 12.695 -14.133 -18.334) 26.401 3.535 ( 12.695 -14.133 18.334) 26.401 4.165 ( 10.327 -17.544 -28.849) 35.308 4.165 ( 10.327 -17.544 28.849) 35.308 5.472 ( 2.989 5.376 -17.999) 19.021 5.472 ( 2.989 5.376 17.999) 19.021 6.215 ( 3.617 6.401 -8.375) 11.145 6.215 ( 3.617 6.401 8.375) 11.145 6.869 ( -2.722 16.389 -23.820) 29.041 6.869 ( -2.722 16.389 23.820) 29.041 7.354 ( -31.034 2.813 -7.375) 32.022 7.354 ( -31.034 2.813 7.375) 32.022 7.939 ( 7.062 -9.059 -9.080) 14.642 7.939 ( 7.062 -9.059 9.080) 14.642 8.838 ( 7.184 11.583 -6.702) 15.188 8.838 ( 7.184 11.583 6.702) 15.188 9.822 ( 2.883 -10.377 -9.377) 14.280 9.822 ( 2.883 -10.377 9.377) 14.280 10.381 ( -10.800 -6.662 -3.786) 13.242 10.381 ( -10.800 -6.662 3.786) 13.242 10.594 ( 1.833 -2.877 -17.856) 18.179 10.594 ( 1.833 -2.877 17.856) 18.179 10.984 ( 1.780 6.341 -9.864) 11.861 10.984 ( 1.780 6.341 9.864) 11.861 11.734 ( -5.628 2.445 -3.027) 6.842 11.734 ( -5.628 2.445 3.027) 6.842 12.068 ( -0.537 6.498 -9.583) 11.591 12.068 ( -0.537 6.498 9.583) 11.591 12.594 ( -4.699 2.130 -0.709) 5.208 12.594 ( -4.699 2.130 0.709) 5.208 12.783 ( -11.340 7.674 -5.100) 14.611 12.783 ( -11.340 7.674 5.100) 14.611 13.684 ( -0.988 -0.900 -9.873) 9.963 13.684 ( -0.988 -0.900 9.873) 9.963 14.106 ( 2.443 -0.712 -1.425) 2.916 14.106 ( 2.443 -0.712 1.425) 2.916 15.159 ( 5.188 -6.081 -2.905) 8.505 15.159 ( 5.188 -6.081 2.905) 8.505 15.671 ( 3.404 0.173 -4.082) 5.318 15.671 ( 3.404 0.173 4.082) 5.318 16.267 ( -3.501 3.825 -2.093) 5.592 16.267 ( -3.501 3.825 2.093) 5.592 16.901 ( 5.391 -0.583 -7.724) 9.437 16.901 ( 5.391 -0.583 7.724) 9.437 17.164 ( 9.775 -5.712 -2.290) 11.551 17.164 ( 9.775 -5.712 2.290) 11.551 20.437 ( 9.473 0.180 -8.532) 12.750 20.437 ( 9.473 0.180 8.532) 12.750 21.201 ( -9.802 -1.329 -6.709) 11.952 21.201 ( -9.802 -1.329 6.709) 11.952 22.711 ( 2.889 -9.540 -6.848) 12.093 22.711 ( 2.889 -9.540 6.848) 12.093 23.813 ( -1.518 6.865 -23.371) 24.406 23.813 ( -1.518 6.865 23.371) 24.406 ======================= Grid point 332 (105/125) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.940 ( 10.940 -10.896 -10.785) 18.834 3.940 ( 10.940 -10.896 10.785) 18.834 4.471 ( 1.953 -7.364 -14.227) 16.139 4.471 ( 1.953 -7.364 14.228) 16.139 5.519 ( 7.391 -7.043 -13.747) 17.124 5.519 ( 7.391 -7.043 13.747) 17.124 5.932 ( -8.343 22.216 -14.356) 27.735 5.932 ( -8.343 22.216 14.356) 27.735 6.626 ( -4.011 6.406 -7.627) 10.738 6.626 ( -4.011 6.406 7.627) 10.738 7.093 ( -8.800 -3.512 -10.435) 14.095 7.093 ( -8.800 -3.512 10.435) 14.095 8.205 ( 5.225 -9.869 -10.477) 15.312 8.205 ( 5.225 -9.869 10.477) 15.312 8.743 ( 2.221 8.831 -8.972) 12.783 8.743 ( 2.221 8.831 8.972) 12.783 9.879 ( -4.228 -0.801 -5.026) 6.616 9.879 ( -4.228 -0.801 5.026) 6.616 10.382 ( 1.704 -2.799 -17.921) 18.218 10.382 ( 1.704 -2.799 17.921) 18.218 10.665 ( -3.703 -7.542 -4.882) 9.717 10.665 ( -3.703 -7.542 4.882) 9.717 10.895 ( 1.309 7.476 -11.755) 13.992 10.895 ( 1.309 7.476 11.755) 13.992 11.681 ( 0.033 0.611 -2.523) 2.596 11.681 ( 0.033 0.611 2.523) 2.596 11.995 ( -0.386 2.312 -7.847) 8.189 11.995 ( -0.386 2.312 7.847) 8.189 12.525 ( -3.176 0.055 -5.593) 6.432 12.525 ( -3.176 0.055 5.593) 6.432 12.582 ( -3.161 3.689 -3.780) 6.155 12.582 ( -3.161 3.689 3.780) 6.155 13.685 ( -0.301 -0.325 -11.656) 11.665 13.685 ( -0.301 -0.325 11.656) 11.665 14.137 ( 0.894 -0.211 -0.729) 1.173 14.137 ( 0.894 -0.211 0.729) 1.173 15.256 ( 1.113 -1.544 -2.485) 3.130 15.256 ( 1.113 -1.544 2.485) 3.130 15.735 ( 2.714 -1.357 -1.783) 3.519 15.735 ( 2.714 -1.357 1.783) 3.519 16.171 ( -2.393 2.215 -4.032) 5.185 16.171 ( -2.393 2.215 4.032) 5.185 16.962 ( 1.982 -0.302 -7.227) 7.500 16.962 ( 1.982 -0.302 7.227) 7.500 17.327 ( 4.036 -2.109 -2.630) 5.259 17.327 ( 4.036 -2.109 2.630) 5.259 20.547 ( 5.248 0.154 -11.924) 13.029 20.547 ( 5.248 0.154 11.924) 13.029 21.093 ( -5.661 -0.318 -5.151) 7.661 21.093 ( -5.661 -0.318 5.151) 7.661 22.857 ( 1.325 -4.533 -4.825) 6.752 22.857 ( 1.325 -4.533 4.825) 6.752 23.716 ( -0.650 3.254 -24.824) 25.045 23.716 ( -0.650 3.254 24.824) 25.045 ======================= Grid point 344 (106/125) ======================= q-point: ( 0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.287 ( 4.327 -0.000 -26.353) 26.706 3.287 ( 4.327 -0.000 26.353) 26.706 3.461 ( 0.185 -0.000 -30.823) 30.824 3.461 ( 0.185 -0.000 30.823) 30.824 5.609 ( 7.429 -0.000 -25.479) 26.540 5.609 ( 7.429 -0.000 25.479) 26.540 5.899 ( 17.683 -0.000 -26.682) 32.009 5.899 ( 17.683 -0.000 26.682) 32.009 7.181 ( -15.238 0.000 -13.279) 20.212 7.181 ( -15.238 0.000 13.279) 20.212 7.700 ( -5.233 0.000 -0.567) 5.264 7.700 ( -5.233 0.000 0.567) 5.264 8.529 ( -4.420 0.000 -13.090) 13.816 8.529 ( -4.420 0.000 13.090) 13.816 8.969 ( -16.832 0.000 -10.079) 19.619 8.969 ( -16.832 0.000 10.079) 19.619 9.558 ( 12.661 -0.000 -8.788) 15.412 9.558 ( 12.661 -0.000 8.788) 15.412 9.900 ( 3.975 -0.000 -13.585) 14.155 9.900 ( 3.975 -0.000 13.585) 14.155 10.458 ( 3.154 -0.000 -5.960) 6.743 10.458 ( 3.154 -0.000 5.960) 6.743 11.122 ( 0.432 -0.000 -17.919) 17.925 11.122 ( 0.432 -0.000 17.919) 17.925 11.947 ( -5.144 0.000 -2.342) 5.652 11.947 ( -5.144 0.000 2.342) 5.652 12.558 ( -17.839 0.000 -8.632) 19.818 12.558 ( -17.839 0.000 8.632) 19.818 12.633 ( -15.310 0.000 -5.512) 16.272 12.633 ( -15.310 0.000 5.512) 16.272 13.226 ( -9.649 0.000 -2.503) 9.969 13.226 ( -9.649 0.000 2.503) 9.969 13.739 ( -3.910 0.000 -2.585) 4.687 13.739 ( -3.910 0.000 2.585) 4.687 13.981 ( 15.001 -0.000 -0.959) 15.032 13.981 ( 15.001 -0.000 0.959) 15.032 14.786 ( 5.830 -0.000 -3.568) 6.835 14.786 ( 5.830 -0.000 3.568) 6.835 15.662 ( 4.493 -0.000 -1.942) 4.895 15.662 ( 4.493 -0.000 1.942) 4.895 16.437 ( 0.239 -0.000 -2.707) 2.717 16.437 ( 0.239 -0.000 2.707) 2.717 16.721 ( -2.532 0.000 -4.185) 4.891 16.721 ( -2.532 0.000 4.185) 4.891 16.856 ( 14.053 -0.000 -11.337) 18.056 16.856 ( 14.053 -0.000 11.337) 18.056 20.318 ( 10.882 -0.000 -1.017) 10.930 20.318 ( 10.882 -0.000 1.017) 10.930 21.253 ( -1.958 0.000 -6.738) 7.017 21.253 ( -1.958 0.000 6.738) 7.017 22.387 ( 1.387 -0.000 -6.057) 6.214 22.387 ( 1.387 -0.000 6.057) 6.214 24.061 ( -3.223 0.000 -19.313) 19.580 24.061 ( -3.223 0.000 19.313) 19.580 ======================= Grid point 346 (107/125) ======================= q-point: ( 0.22 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.344 ( 11.023 1.938 -29.140) 31.216 3.344 ( 11.023 1.938 29.140) 31.216 3.647 ( 7.376 -14.821 -33.794) 37.631 3.647 ( 7.376 -14.821 33.794) 37.631 5.671 ( 7.444 6.485 -24.123) 26.065 5.671 ( 7.444 6.485 24.123) 26.065 6.203 ( 17.170 -4.213 -17.911) 25.167 6.203 ( 17.170 -4.213 17.911) 25.167 6.978 ( -14.983 -2.069 -20.706) 25.642 6.978 ( -14.983 -2.069 20.706) 25.642 7.562 ( -16.562 -0.034 -2.205) 16.709 7.562 ( -16.562 -0.034 2.205) 16.709 8.168 ( -5.861 25.399 -14.310) 29.736 8.168 ( -5.861 25.399 14.310) 29.736 9.013 ( 0.184 -13.196 -11.507) 17.510 9.013 ( 0.184 -13.196 11.507) 17.510 9.583 ( 5.534 5.507 -2.198) 8.111 9.583 ( 5.534 5.507 2.198) 8.111 10.092 ( 2.292 -7.975 -9.860) 12.887 10.092 ( 2.292 -7.975 9.860) 12.887 10.486 ( -3.468 -5.502 -13.488) 14.974 10.486 ( -3.468 -5.502 13.488) 14.974 11.129 ( 2.787 2.340 -20.110) 20.436 11.129 ( 2.787 2.340 20.110) 20.436 11.800 ( -12.385 2.748 -3.550) 13.173 11.800 ( -12.385 2.748 3.550) 13.173 12.263 ( -9.411 5.117 -8.004) 13.372 12.263 ( -9.411 5.117 8.004) 13.372 12.512 ( -12.447 -5.023 -3.108) 13.778 12.512 ( -12.447 -5.023 3.108) 13.778 13.028 ( -12.042 5.398 -2.979) 13.529 13.028 ( -12.042 5.398 2.979) 13.529 13.699 ( 0.365 0.818 -5.828) 5.897 13.699 ( 0.365 0.818 5.828) 5.897 14.141 ( 8.731 2.381 -3.810) 9.819 14.141 ( 8.731 2.381 3.810) 9.819 14.941 ( 8.665 -6.143 -3.285) 11.118 14.941 ( 8.665 -6.143 3.285) 11.118 15.692 ( 1.054 0.674 -4.100) 4.287 15.692 ( 1.054 0.674 4.100) 4.287 16.384 ( -3.175 4.214 -2.610) 5.887 16.384 ( -3.175 4.214 2.610) 5.887 16.723 ( -5.176 -8.174 -5.040) 10.909 16.723 ( -5.176 -8.174 5.040) 10.909 17.083 ( 15.958 -0.225 -11.943) 19.933 17.083 ( 15.958 -0.225 11.943) 19.933 20.493 ( 15.287 1.914 -3.285) 15.753 20.493 ( 15.287 1.914 3.285) 15.753 21.217 ( -2.581 1.294 -4.428) 5.286 21.217 ( -2.581 1.294 4.428) 5.286 22.462 ( 3.734 -5.341 -6.998) 9.563 22.462 ( 3.734 -5.341 6.998) 9.563 23.979 ( -4.475 3.299 -20.862) 21.590 23.979 ( -4.475 3.299 20.862) 21.590 ======================= Grid point 348 (108/125) ======================= q-point: ( 0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.614 ( 20.422 -7.456 -19.752) 29.374 3.614 ( 20.422 -7.456 19.752) 29.374 4.036 ( 11.237 -17.504 -28.151) 35.002 4.036 ( 11.237 -17.504 28.151) 35.002 5.601 ( -0.440 9.359 -19.406) 21.549 5.601 ( -0.440 9.359 19.406) 21.549 6.376 ( 4.039 6.289 -9.926) 12.425 6.376 ( 4.039 6.289 9.926) 12.425 6.829 ( -21.828 -6.647 -3.350) 23.062 6.829 ( -21.828 -6.647 3.350) 23.062 7.175 ( -5.821 16.793 -24.568) 30.323 7.175 ( -5.821 16.793 24.568) 30.323 7.973 ( 7.397 1.436 -8.737) 11.537 7.973 ( 7.397 1.436 8.737) 11.537 9.123 ( 5.300 8.233 -6.400) 11.697 9.123 ( 5.300 8.233 6.400) 11.697 9.675 ( 0.492 -11.561 -10.749) 15.794 9.675 ( 0.492 -11.561 10.749) 15.794 10.092 ( -10.789 -5.949 -3.246) 12.741 10.092 ( -10.789 -5.949 3.246) 12.741 10.561 ( 0.023 -5.216 -15.987) 16.817 10.561 ( 0.023 -5.216 15.987) 16.817 11.097 ( 0.855 6.324 -21.719) 22.637 11.097 ( 0.855 6.324 21.719) 22.637 11.629 ( -7.770 -2.224 -3.919) 8.982 11.629 ( -7.770 -2.224 3.919) 8.982 12.116 ( -6.095 2.428 -9.238) 11.331 12.116 ( -6.095 2.428 9.238) 11.331 12.441 ( -6.119 -3.633 -3.689) 8.015 12.441 ( -6.119 -3.633 3.689) 8.015 12.758 ( -11.562 6.835 -3.168) 13.800 12.758 ( -11.562 6.835 3.168) 13.800 13.719 ( 3.536 0.727 -8.429) 9.169 13.719 ( 3.536 0.727 8.429) 9.169 14.180 ( 4.119 3.443 -3.124) 6.211 14.180 ( 4.119 3.443 3.124) 6.211 15.154 ( 7.397 -5.026 -3.503) 9.605 15.154 ( 7.397 -5.026 3.503) 9.605 15.697 ( 0.719 -0.519 -4.340) 4.429 15.697 ( 0.719 -0.519 4.340) 4.429 16.253 ( -5.942 3.636 -2.294) 7.334 16.253 ( -5.942 3.636 2.294) 7.334 16.788 ( -6.869 -10.395 -5.764) 13.728 16.788 ( -6.869 -10.395 5.764) 13.728 17.277 ( 10.133 -0.362 -10.208) 14.387 17.277 ( 10.133 -0.362 10.208) 14.387 20.662 ( 15.069 5.593 -8.303) 18.092 20.662 ( 15.069 5.593 8.303) 18.092 21.148 ( -0.722 3.301 -4.801) 5.871 21.148 ( -0.722 3.301 4.801) 5.871 22.640 ( 6.081 -8.088 -7.752) 12.746 22.640 ( 6.081 -8.088 7.752) 12.746 23.848 ( -5.450 4.393 -22.579) 23.639 23.848 ( -5.450 4.393 22.579) 23.639 ======================= Grid point 350 (109/125) ======================= q-point: ( 0.44 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.039 ( 18.883 -5.717 -12.887) 23.566 4.039 ( 18.883 -5.717 12.887) 23.566 4.420 ( 10.266 -10.085 -15.828) 21.392 4.420 ( 10.266 -10.085 15.828) 21.392 5.456 ( -6.029 -1.990 -16.310) 17.502 5.456 ( -6.029 -1.990 16.310) 17.502 5.975 ( -27.942 17.218 -10.003) 34.312 5.975 ( -27.942 17.218 10.003) 34.312 6.621 ( -1.294 3.293 -8.925) 9.601 6.621 ( -1.294 3.293 8.925) 9.601 7.167 ( 14.191 3.903 -11.059) 18.410 7.167 ( 14.191 3.903 11.059) 18.410 8.186 ( 10.924 -8.162 -9.639) 16.699 8.186 ( 10.924 -8.162 9.639) 16.699 8.915 ( -6.105 15.938 -9.170) 19.375 8.915 ( -6.105 15.938 9.170) 19.375 9.785 ( -3.225 -5.910 -13.297) 14.904 9.785 ( -3.225 -5.910 13.297) 14.904 10.211 ( 0.640 -17.908 -18.246) 25.574 10.211 ( 0.640 -17.908 18.246) 25.574 10.586 ( -1.412 -0.140 -14.061) 14.133 10.586 ( -1.412 -0.140 14.061) 14.133 10.984 ( -2.760 5.501 -20.338) 21.248 10.984 ( -2.760 5.501 20.338) 21.248 11.619 ( -3.643 -3.613 -1.825) 5.446 11.619 ( -3.643 -3.613 1.825) 5.446 12.002 ( -4.893 1.262 -7.498) 9.042 12.002 ( -4.893 1.262 7.498) 9.042 12.449 ( -2.041 -3.768 -3.556) 5.568 12.449 ( -2.041 -3.768 3.556) 5.568 12.550 ( -5.545 2.194 -2.215) 6.362 12.550 ( -5.545 2.194 2.215) 6.362 13.760 ( 5.345 2.546 -9.640) 11.313 13.760 ( 5.345 2.546 9.640) 11.313 14.173 ( 1.978 2.752 -1.297) 3.629 14.173 ( 1.978 2.752 1.297) 3.629 15.269 ( 3.253 -0.481 -2.963) 4.426 15.269 ( 3.253 -0.481 2.963) 4.426 15.729 ( -0.245 -1.736 -2.393) 2.967 15.729 ( -0.245 -1.736 2.393) 2.967 16.135 ( -5.077 0.398 -4.357) 6.702 16.135 ( -5.077 0.398 4.357) 6.702 16.820 ( -9.964 -9.331 -6.659) 15.188 16.820 ( -9.964 -9.331 6.659) 15.188 17.364 ( 2.394 0.900 -8.657) 9.027 17.364 ( 2.394 0.900 8.657) 9.027 20.691 ( 4.017 8.902 -11.980) 15.457 20.691 ( 4.017 8.902 11.980) 15.457 21.164 ( 11.459 3.679 -5.067) 13.058 21.164 ( 11.459 3.679 5.067) 13.058 22.841 ( 6.594 -5.392 -6.708) 10.842 22.841 ( 6.594 -5.392 6.708) 10.842 23.707 ( -6.425 2.562 -23.669) 24.659 23.707 ( -6.425 2.562 23.669) 24.659 ======================= Grid point 352 (110/125) ======================= q-point: (-0.44 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.071 ( -2.079 17.409 -6.437) 18.677 4.071 ( -2.079 17.409 6.437) 18.677 4.567 ( 0.462 5.724 -14.280) 15.391 4.567 ( 0.462 5.724 14.280) 15.391 5.356 ( -20.341 -3.628 -6.679) 21.715 5.356 ( -20.341 -3.628 6.679) 21.715 5.737 ( 9.874 -15.204 -5.683) 18.999 5.737 ( 9.874 -15.204 5.683) 18.999 6.602 ( 1.428 0.738 -15.953) 16.034 6.602 ( 1.428 0.738 15.953) 16.034 7.337 ( 14.522 0.275 -8.503) 16.831 7.337 ( 14.522 0.275 8.503) 16.831 8.341 ( 2.463 10.329 -14.491) 17.965 8.341 ( 2.463 10.329 14.491) 17.965 8.648 ( -1.692 1.678 -7.959) 8.308 8.648 ( -1.692 1.678 7.959) 8.308 9.869 ( -0.877 -8.371 -14.606) 16.857 9.869 ( -0.877 -8.371 14.606) 16.857 10.361 ( -0.758 1.238 -27.480) 27.518 10.361 ( -0.758 1.238 27.480) 27.518 10.675 ( -0.259 -14.877 -11.767) 18.970 10.675 ( -0.259 -14.877 11.767) 18.970 10.875 ( 1.644 7.388 -10.362) 12.832 10.875 ( 1.644 7.388 10.362) 12.832 11.586 ( -6.865 -3.831 -3.344) 8.544 11.586 ( -6.865 -3.831 3.344) 8.544 11.965 ( -1.732 -1.981 -5.447) 6.049 11.965 ( -1.732 -1.981 5.447) 6.049 12.429 ( -6.514 -4.810 -3.060) 8.657 12.429 ( -6.514 -4.810 3.060) 8.657 12.624 ( 9.664 -4.614 -8.035) 13.388 12.624 ( 9.664 -4.614 8.035) 13.388 13.786 ( 5.639 4.474 -9.342) 11.794 13.786 ( 5.639 4.474 9.342) 11.794 14.158 ( 1.795 2.659 -2.172) 3.874 14.158 ( 1.795 2.659 2.172) 3.874 15.274 ( -0.901 2.201 -1.420) 2.770 15.274 ( -0.901 2.201 1.420) 2.770 15.687 ( -6.464 0.627 -1.593) 6.687 15.687 ( -6.464 0.627 1.593) 6.687 16.135 ( 0.317 -4.476 -3.833) 5.901 16.135 ( 0.317 -4.476 3.833) 5.901 16.788 ( -12.405 -7.554 -7.524) 16.357 16.788 ( -12.405 -7.554 7.524) 16.357 17.318 ( -3.428 3.942 -7.149) 8.855 17.318 ( -3.428 3.942 7.149) 8.855 20.557 ( -2.534 8.407 -11.562) 14.518 20.557 ( -2.534 8.407 11.562) 14.518 21.314 ( 17.603 5.532 -7.676) 19.985 21.314 ( 17.603 5.532 7.676) 19.985 22.939 ( 3.650 3.549 -3.649) 6.264 22.939 ( 3.650 3.549 3.649) 6.264 23.625 ( -5.328 -4.074 -23.869) 24.794 23.625 ( -5.328 -4.074 23.869) 24.794 ======================= Grid point 354 (111/125) ======================= q-point: (-0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.687 ( -4.238 20.933 -14.950) 26.070 3.687 ( -4.238 20.933 14.950) 26.070 4.224 ( -17.025 15.364 -27.169) 35.553 4.224 ( -17.025 15.364 27.169) 35.553 5.372 ( 2.942 -6.420 -15.110) 16.679 5.372 ( 2.942 -6.420 15.110) 16.679 6.069 ( -1.562 -9.757 -2.815) 10.274 6.069 ( -1.562 -9.757 2.815) 10.274 6.725 ( 9.859 -12.236 -19.617) 25.134 6.725 ( 9.859 -12.236 19.617) 25.134 7.552 ( 3.881 -8.757 -8.640) 12.899 7.552 ( 3.881 -8.757 8.640) 12.899 8.106 ( 6.018 17.683 -20.062) 27.412 8.106 ( 6.018 17.683 20.062) 27.412 8.704 ( 2.425 -1.038 -5.772) 6.346 8.704 ( 2.425 -1.038 5.772) 6.346 9.868 ( -6.702 3.217 -12.819) 14.819 9.868 ( -6.702 3.217 12.819) 14.819 10.418 ( 1.331 -9.707 -30.485) 32.021 10.418 ( 1.331 -9.707 30.485) 32.021 10.715 ( -0.166 7.524 -13.519) 15.473 10.715 ( -0.166 7.524 13.519) 15.473 10.896 ( 3.172 -1.368 -6.890) 7.707 10.896 ( 3.172 -1.368 6.890) 7.707 11.647 ( -1.324 -13.626 -2.839) 13.982 11.647 ( -1.324 -13.626 2.839) 13.982 12.001 ( 0.632 -4.376 -7.746) 8.919 12.001 ( 0.632 -4.376 7.746) 8.919 12.443 ( -6.129 -8.706 -1.454) 10.746 12.443 ( -6.129 -8.706 1.454) 10.746 12.891 ( 14.372 -6.728 -8.621) 18.059 12.891 ( 14.372 -6.728 8.621) 18.059 13.784 ( 4.171 4.883 -7.358) 9.766 13.784 ( 4.171 4.883 7.358) 9.766 14.151 ( 4.884 4.082 -4.323) 7.694 14.151 ( 4.884 4.082 4.323) 7.694 15.148 ( -9.814 5.089 -2.034) 11.240 15.148 ( -9.814 5.089 2.034) 11.240 15.597 ( -5.100 -1.150 -3.224) 6.142 15.597 ( -5.100 -1.150 3.224) 6.142 16.231 ( 1.542 -5.243 -2.930) 6.201 16.231 ( 1.542 -5.243 2.930) 6.201 16.712 ( -11.878 -5.530 -7.289) 14.994 16.712 ( -11.878 -5.530 7.289) 14.994 17.165 ( -5.345 7.239 -4.888) 10.240 17.165 ( -5.345 7.239 4.888) 10.240 20.396 ( -3.760 6.562 -9.809) 12.386 20.396 ( -3.760 6.562 9.809) 12.386 21.455 ( 15.377 7.462 -9.625) 19.616 21.455 ( 15.377 7.462 9.625) 19.616 22.836 ( -1.294 10.557 -6.571) 12.502 22.836 ( -1.294 10.557 6.571) 12.502 23.686 ( -1.748 -9.507 -22.687) 24.660 23.686 ( -1.748 -9.507 22.687) 24.660 ======================= Grid point 356 (112/125) ======================= q-point: (-0.22 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.435 ( 5.645 12.452 -27.384) 30.607 3.435 ( 5.645 12.452 27.384) 30.607 3.773 ( -15.793 12.199 -31.572) 37.350 3.773 ( -15.793 12.199 31.572) 37.350 5.487 ( 4.380 -1.069 -19.455) 19.970 5.487 ( 4.380 -1.069 19.455) 19.970 5.990 ( -9.138 4.599 -13.856) 17.223 5.990 ( -9.138 4.599 13.856) 17.223 7.183 ( 14.773 -18.472 -22.184) 32.428 7.183 ( 14.773 -18.472 22.184) 32.428 7.619 ( -9.627 -7.879 -9.882) 15.888 7.619 ( -9.627 -7.879 9.882) 15.888 8.092 ( 12.376 4.955 -9.344) 16.280 8.092 ( 12.376 4.955 9.344) 16.280 8.725 ( -1.595 -2.557 -4.516) 5.429 8.725 ( -1.595 -2.557 4.516) 5.429 9.718 ( -1.290 5.689 -17.575) 18.518 9.718 ( -1.290 5.689 17.575) 18.518 10.426 ( -7.215 5.169 -26.543) 27.987 10.426 ( -7.215 5.169 26.543) 27.987 10.635 ( 5.177 10.492 -10.108) 15.462 10.635 ( 5.177 10.492 10.108) 15.462 10.957 ( -0.355 -7.600 -6.788) 10.196 10.957 ( -0.355 -7.600 6.788) 10.196 11.873 ( 2.275 -9.975 -0.917) 10.272 11.873 ( 2.275 -9.975 0.917) 10.272 12.170 ( 7.338 -13.356 -8.516) 17.457 12.170 ( 7.338 -13.356 8.516) 17.457 12.517 ( -6.977 -13.155 -2.519) 15.102 12.517 ( -6.977 -13.155 2.519) 15.102 13.175 ( 10.435 -5.914 -8.753) 14.848 13.175 ( 10.435 -5.914 8.753) 14.848 13.752 ( 1.125 4.406 -5.057) 6.800 13.752 ( 1.125 4.406 5.057) 6.800 14.183 ( 10.742 6.903 -6.211) 14.200 14.183 ( 10.742 6.903 6.211) 14.200 14.878 ( -15.176 4.789 -4.210) 16.461 14.878 ( -15.176 4.789 4.210) 16.461 15.570 ( -2.649 -1.363 -3.800) 4.829 15.570 ( -2.649 -1.363 3.800) 4.829 16.317 ( 0.327 -4.096 -4.827) 6.339 16.317 ( 0.327 -4.096 4.827) 6.339 16.639 ( -7.023 -3.010 -6.524) 10.047 16.639 ( -7.023 -3.010 6.524) 10.047 16.981 ( -3.293 7.850 -3.196) 9.093 16.981 ( -3.293 7.850 3.196) 9.093 20.265 ( -2.856 4.401 -7.773) 9.378 20.265 ( -2.856 4.401 7.773) 9.378 21.498 ( 7.881 8.971 -10.976) 16.219 21.498 ( 7.881 8.971 10.976) 16.219 22.642 ( -1.974 10.518 -7.370) 12.993 22.642 ( -1.974 10.518 7.370) 12.993 23.828 ( 0.038 -10.048 -21.274) 23.528 23.828 ( 0.038 -10.048 21.274) 23.528 ======================= Grid point 358 (113/125) ======================= q-point: (-0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.409 ( 0.000 8.805 -33.268) 34.413 3.409 ( 0.000 8.805 33.268) 34.413 3.471 ( 0.000 2.793 -37.388) 37.492 3.471 ( 0.000 2.793 37.388) 37.492 5.527 ( -0.000 -0.043 -24.151) 24.151 5.527 ( -0.000 -0.043 24.151) 24.151 5.788 ( 0.000 10.207 -25.756) 27.705 5.788 ( 0.000 10.207 25.756) 27.705 7.493 ( -0.000 -3.636 -26.535) 26.783 7.493 ( -0.000 -3.636 26.535) 26.783 7.648 ( -0.000 -5.758 -9.463) 11.077 7.648 ( -0.000 -5.758 9.463) 11.077 8.229 ( -0.000 -13.688 -12.949) 18.843 8.229 ( -0.000 -13.688 12.949) 18.843 8.795 ( -0.000 -10.218 -6.131) 11.916 8.795 ( -0.000 -10.218 6.131) 11.916 9.647 ( 0.000 6.462 -20.928) 21.903 9.647 ( 0.000 6.462 20.928) 21.903 10.219 ( 0.000 12.789 -20.032) 23.766 10.219 ( 0.000 12.789 20.032) 23.766 10.485 ( 0.000 10.943 -10.982) 15.503 10.485 ( 0.000 10.943 10.982) 15.503 11.068 ( -0.000 -5.284 -10.290) 11.567 11.068 ( -0.000 -5.284 10.290) 11.567 11.971 ( -0.000 -2.637 -2.905) 3.923 11.971 ( -0.000 -2.637 2.905) 3.923 12.541 ( -0.000 -18.732 -8.649) 20.632 12.541 ( -0.000 -18.732 8.649) 20.632 12.649 ( -0.000 -15.196 -3.555) 15.606 12.649 ( -0.000 -15.196 3.555) 15.606 13.323 ( -0.000 -3.533 -7.018) 7.857 13.323 ( -0.000 -3.533 7.018) 7.857 13.689 ( 0.000 4.359 -5.545) 7.053 13.689 ( 0.000 4.359 5.545) 7.053 14.151 ( 0.000 10.766 -8.185) 13.524 14.151 ( 0.000 10.766 8.185) 13.524 14.701 ( 0.000 1.344 -6.280) 6.422 14.701 ( 0.000 1.344 6.280) 6.422 15.551 ( 0.000 0.651 -3.962) 4.015 15.551 ( 0.000 0.651 3.962) 4.015 16.367 ( -0.000 -2.689 -6.591) 7.118 16.367 ( -0.000 -2.689 6.591) 7.118 16.614 ( -0.000 -0.446 -6.132) 6.148 16.614 ( -0.000 -0.446 6.132) 6.148 16.862 ( 0.000 4.901 -5.095) 7.070 16.862 ( 0.000 4.901 5.095) 7.070 20.192 ( 0.000 2.262 -5.875) 6.295 20.192 ( 0.000 2.262 5.875) 6.295 21.417 ( 0.000 7.968 -11.273) 13.805 21.417 ( 0.000 7.968 11.273) 13.805 22.491 ( 0.000 7.571 -6.504) 9.981 22.491 ( 0.000 7.571 6.504) 9.981 23.971 ( -0.000 -8.286 -19.932) 21.586 23.971 ( -0.000 -8.286 19.932) 21.586 ======================= Grid point 364 (114/125) ======================= q-point: ( 0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.608 ( 12.065 -0.000 -16.081) 20.104 3.608 ( 12.065 -0.000 16.081) 20.104 3.624 ( 18.741 -0.000 -9.850) 21.172 3.624 ( 18.741 -0.000 9.850) 21.172 5.827 ( 4.005 -0.000 -18.977) 19.395 5.827 ( 4.005 -0.000 18.977) 19.395 6.414 ( 16.450 -0.000 -5.481) 17.339 6.414 ( 16.450 -0.000 5.481) 17.339 6.690 ( -23.782 0.000 -9.239) 25.513 6.690 ( -23.782 0.000 9.239) 25.513 7.360 ( -8.791 0.000 -10.806) 13.930 7.360 ( -8.791 0.000 10.806) 13.930 8.415 ( -1.906 0.000 -13.581) 13.714 8.415 ( -1.906 0.000 13.581) 13.714 8.777 ( 1.228 -0.000 -15.032) 15.082 8.777 ( 1.228 -0.000 15.032) 15.082 9.656 ( -2.979 0.000 -10.821) 11.224 9.656 ( -2.979 0.000 10.821) 11.224 10.159 ( 0.604 -0.000 -6.017) 6.047 10.159 ( 0.604 -0.000 6.017) 6.047 10.315 ( -2.964 0.000 -7.358) 7.932 10.315 ( -2.964 0.000 7.358) 7.932 11.207 ( 5.175 -0.000 -22.830) 23.409 11.207 ( 5.175 -0.000 22.830) 23.409 11.620 ( -16.073 0.000 -4.554) 16.706 11.620 ( -16.073 0.000 4.554) 16.706 12.100 ( -12.971 0.000 -7.645) 15.056 12.100 ( -12.971 0.000 7.645) 15.056 12.398 ( -1.660 0.000 -3.325) 3.716 12.398 ( -1.660 0.000 3.325) 3.716 12.885 ( -13.645 0.000 -1.881) 13.774 12.885 ( -13.645 0.000 1.881) 13.774 13.717 ( 2.002 -0.000 -0.429) 2.047 13.717 ( 2.002 -0.000 0.429) 2.047 14.262 ( 4.418 -0.000 -7.353) 8.578 14.262 ( 4.418 -0.000 7.353) 8.578 15.049 ( 12.763 -0.000 -1.864) 12.898 15.049 ( 12.763 -0.000 1.864) 12.898 15.693 ( -1.258 0.000 -4.251) 4.433 15.693 ( -1.258 0.000 4.251) 4.433 16.389 ( -3.642 0.000 -4.254) 5.600 16.389 ( -3.642 0.000 4.254) 5.600 16.515 ( -11.264 0.000 -2.363) 11.509 16.515 ( -11.264 0.000 2.363) 11.509 17.280 ( 11.389 -0.000 -13.555) 17.704 17.280 ( 11.389 -0.000 13.555) 17.704 20.766 ( 20.042 -0.000 -4.910) 20.634 20.766 ( 20.042 -0.000 4.910) 20.634 21.217 ( -0.053 0.000 -0.693) 0.695 21.217 ( -0.053 0.000 0.693) 0.695 22.491 ( 6.492 -0.000 -7.367) 9.819 22.491 ( 6.492 -0.000 7.367) 9.819 23.924 ( -6.649 0.000 -20.872) 21.905 23.924 ( -6.649 0.000 20.872) 21.905 ======================= Grid point 366 (115/125) ======================= q-point: ( 0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.834 ( 20.543 -3.659 -21.087) 29.666 3.834 ( 20.543 -3.659 21.087) 29.666 4.019 ( 19.239 -11.150 -21.220) 30.737 4.019 ( 19.239 -11.150 21.220) 30.737 5.702 ( -11.025 10.416 -11.901) 19.279 5.702 ( -11.025 10.416 11.901) 19.279 6.283 ( -26.091 3.231 -10.227) 28.210 6.283 ( -26.091 3.231 10.227) 28.210 6.668 ( 11.905 -1.133 -4.936) 12.937 6.668 ( 11.905 -1.133 4.936) 12.937 7.334 ( 6.494 2.339 -24.393) 25.351 7.334 ( 6.494 2.339 24.393) 25.351 8.192 ( 3.792 14.433 -13.085) 19.847 8.192 ( 3.792 14.433 13.085) 19.847 9.063 ( 0.914 -19.433 -12.415) 23.079 9.063 ( 0.914 -19.433 12.415) 23.079 9.558 ( -6.686 3.131 -7.320) 10.397 9.558 ( -6.686 3.131 7.320) 10.397 9.938 ( -11.896 1.534 -6.872) 13.824 9.938 ( -11.896 1.534 6.872) 13.824 10.497 ( 7.156 -6.105 -22.056) 23.978 10.497 ( 7.156 -6.105 22.056) 23.978 11.184 ( -5.553 7.439 -21.040) 22.997 11.184 ( -5.553 7.439 21.040) 22.997 11.464 ( -5.636 -5.641 -5.491) 9.681 11.464 ( -5.636 -5.641 5.491) 9.681 11.970 ( -9.314 -2.556 -7.125) 12.002 11.970 ( -9.314 -2.556 7.125) 12.002 12.395 ( 0.687 -0.125 -5.645) 5.688 12.395 ( 0.687 -0.125 5.645) 5.688 12.667 ( -11.975 3.630 -2.438) 12.748 12.667 ( -11.975 3.630 2.438) 12.748 13.765 ( 3.474 -1.127 -3.203) 4.858 13.765 ( 3.474 -1.127 3.203) 4.858 14.284 ( 2.938 2.893 -8.187) 9.167 14.284 ( 2.938 2.893 8.187) 9.167 15.241 ( 11.108 -0.842 -2.239) 11.363 15.241 ( 11.108 -0.842 2.239) 11.363 15.674 ( -2.106 -1.239 -3.951) 4.645 15.674 ( -2.106 -1.239 3.951) 4.645 16.220 ( -8.574 5.660 -4.440) 11.192 16.220 ( -8.574 5.660 4.440) 11.192 16.482 ( -10.775 -11.189 -6.172) 16.715 16.482 ( -10.775 -11.189 6.172) 16.715 17.394 ( 5.509 0.763 -13.836) 14.912 17.394 ( 5.509 0.763 13.836) 14.912 20.982 ( 13.651 7.966 -8.756) 18.069 20.982 ( 13.651 7.966 8.756) 18.069 21.243 ( 9.173 0.571 -4.136) 10.078 21.243 ( 9.173 0.571 4.136) 10.078 22.640 ( 8.327 -5.288 -8.245) 12.856 22.640 ( 8.327 -5.288 8.245) 12.856 23.800 ( -8.198 2.284 -21.011) 22.669 23.800 ( -8.198 2.284 21.011) 22.669 ======================= Grid point 368 (116/125) ======================= q-point: ( 0.44 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.219 ( 17.902 -6.876 -16.068) 25.019 4.219 ( 17.902 -6.876 16.068) 25.019 4.459 ( 15.568 -11.377 -15.098) 24.490 4.459 ( 15.568 -11.377 15.098) 24.490 5.282 ( -22.756 8.343 -6.236) 25.026 5.282 ( -22.756 8.343 6.236) 25.026 5.862 ( -13.618 12.475 -11.332) 21.668 5.862 ( -13.618 12.475 11.332) 21.668 6.747 ( 6.016 6.777 -10.893) 14.170 6.747 ( 6.016 6.777 10.893) 14.170 7.415 ( 9.142 3.868 -8.137) 12.836 7.415 ( 9.142 3.868 8.137) 12.836 8.252 ( 12.470 -5.786 -10.548) 17.328 8.252 ( 12.470 -5.786 10.548) 17.328 9.035 ( -8.002 13.382 -9.674) 18.349 9.035 ( -8.002 13.382 9.674) 18.349 9.537 ( -9.203 -13.488 -4.601) 16.964 9.537 ( -9.203 -13.488 4.601) 16.964 9.991 ( 3.605 -16.152 -12.546) 20.767 9.991 ( 3.605 -16.152 12.546) 20.767 10.596 ( 0.576 2.334 -19.340) 19.489 10.596 ( 0.576 2.334 19.340) 19.489 10.952 ( -10.626 1.837 -15.596) 18.961 10.952 ( -10.626 1.837 15.596) 18.961 11.531 ( 0.310 -2.912 -6.617) 7.236 11.531 ( 0.310 -2.912 6.617) 7.236 11.888 ( -7.599 -2.445 -4.897) 9.365 11.888 ( -7.599 -2.445 4.897) 9.365 12.383 ( -4.410 0.959 -4.536) 6.399 12.383 ( -4.410 0.959 4.536) 6.399 12.529 ( 0.522 -0.821 -6.778) 6.848 12.529 ( 0.522 -0.821 6.778) 6.848 13.836 ( 3.341 -1.275 -4.569) 5.802 13.836 ( 3.341 -1.275 4.569) 5.802 14.280 ( 4.992 4.515 -7.304) 9.932 14.280 ( 4.992 4.515 7.304) 9.932 15.337 ( 3.748 2.489 -2.719) 5.257 15.337 ( 3.748 2.489 2.719) 5.257 15.667 ( -4.461 -2.225 -2.429) 5.545 15.667 ( -4.461 -2.225 2.429) 5.545 16.058 ( -5.911 0.372 -4.428) 7.395 16.058 ( -5.911 0.372 4.428) 7.395 16.490 ( -12.064 -10.897 -6.231) 17.410 16.490 ( -12.064 -10.897 6.231) 17.410 17.414 ( 0.821 2.407 -13.092) 13.337 17.414 ( 0.821 2.407 13.092) 13.337 20.901 ( 1.884 12.960 -10.623) 16.863 20.901 ( 1.884 12.960 10.623) 16.863 21.463 ( 21.261 2.919 -8.434) 23.059 21.463 ( 21.261 2.919 8.434) 23.059 22.855 ( 7.673 -7.137 -8.966) 13.791 22.855 ( 7.673 -7.137 8.966) 13.791 23.632 ( -9.400 3.161 -20.450) 22.727 23.632 ( -9.400 3.161 20.450) 22.727 ======================= Grid point 370 (117/125) ======================= q-point: (-0.44 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.322 ( -2.640 14.104 -3.996) 14.895 4.322 ( -2.640 14.104 3.996) 14.895 4.562 ( -12.259 2.505 -15.936) 20.261 4.562 ( -12.259 2.505 15.936) 20.261 5.123 ( 7.997 -5.515 -8.831) 13.128 5.123 ( 7.997 -5.515 8.831) 13.128 5.687 ( 2.117 -3.643 -3.653) 5.576 5.687 ( 2.117 -3.643 3.653) 5.576 6.702 ( 4.365 6.208 -23.073) 24.289 6.702 ( 4.365 6.208 23.073) 24.289 7.434 ( -1.386 1.237 -6.007) 6.288 7.434 ( -1.386 1.237 6.007) 6.288 8.536 ( 10.940 0.403 -6.964) 12.974 8.536 ( 10.940 0.403 6.964) 12.974 8.774 ( 5.658 10.415 -9.238) 15.028 8.774 ( 5.658 10.415 9.239) 15.028 9.613 ( -7.376 -14.409 -6.536) 17.457 9.613 ( -7.376 -14.409 6.536) 17.457 10.271 ( -10.560 -8.967 -10.366) 17.302 10.271 ( -10.560 -8.967 10.366) 17.302 10.535 ( 6.287 -5.964 -4.890) 9.951 10.535 ( 6.287 -5.964 4.890) 9.951 10.908 ( -1.026 -4.471 -4.494) 6.422 10.908 ( -1.026 -4.471 4.494) 6.422 11.476 ( -5.677 4.737 -4.854) 8.845 11.476 ( -5.677 4.737 4.854) 8.845 11.856 ( -4.958 -5.298 -1.030) 7.329 11.856 ( -4.958 -5.298 1.030) 7.329 12.313 ( -3.499 -0.829 -3.278) 4.866 12.313 ( -3.499 -0.829 3.278) 4.866 12.668 ( 8.388 -6.971 -9.353) 14.368 12.668 ( 8.388 -6.971 9.353) 14.368 13.882 ( 1.746 0.326 -5.991) 6.249 13.882 ( 1.746 0.326 5.991) 6.249 14.301 ( 9.361 5.701 -6.194) 12.590 14.301 ( 9.361 5.701 6.194) 12.590 15.268 ( -8.083 3.416 -0.878) 8.819 15.268 ( -8.083 3.416 0.878) 8.819 15.586 ( -6.561 0.361 -2.737) 7.118 15.586 ( -6.561 0.361 2.737) 7.118 16.069 ( 0.965 -4.777 -2.700) 5.572 16.069 ( 0.965 -4.777 2.700) 5.572 16.475 ( -11.320 -9.377 -5.150) 15.575 16.475 ( -11.320 -9.377 5.150) 15.575 17.350 ( -1.836 4.901 -11.282) 12.437 17.350 ( -1.836 4.901 11.282) 12.437 20.707 ( -0.397 13.341 -11.369) 17.533 20.707 ( -0.397 13.341 11.369) 17.533 21.691 ( 20.432 6.929 -11.042) 24.236 21.691 ( 20.432 6.929 11.042) 24.236 23.026 ( 4.362 -1.835 -4.471) 6.510 23.026 ( 4.362 -1.835 4.471) 6.510 23.472 ( -8.568 -1.157 -18.818) 20.709 23.472 ( -8.568 -1.157 18.818) 20.709 ======================= Grid point 372 (118/125) ======================= q-point: (-0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.965 ( -4.669 17.422 -13.361) 22.447 3.965 ( -4.669 17.422 13.361) 22.447 4.216 ( -11.590 17.537 -17.562) 27.391 4.216 ( -11.590 17.537 17.562) 27.391 5.392 ( 12.290 -5.403 -12.593) 18.407 5.392 ( 12.290 -5.403 12.593) 18.407 5.849 ( -4.970 -12.747 -2.946) 13.996 5.849 ( -4.970 -12.747 2.946) 13.996 6.778 ( 12.109 -3.319 -24.175) 27.241 6.778 ( 12.109 -3.319 24.175) 27.241 7.352 ( -11.665 -4.107 -9.219) 15.425 7.352 ( -11.665 -4.107 9.219) 15.425 8.532 ( 13.871 15.244 -22.848) 30.770 8.532 ( 13.871 15.244 22.848) 30.770 8.792 ( 2.188 5.114 -6.892) 8.857 8.792 ( 2.188 5.114 6.892) 8.857 9.755 ( -1.649 -6.788 -11.314) 13.297 9.755 ( -1.649 -6.788 11.314) 13.297 10.159 ( -12.707 -13.834 -22.006) 28.933 10.159 ( -12.707 -13.834 22.006) 28.933 10.782 ( 7.742 -1.151 -5.820) 9.754 10.782 ( 7.742 -1.151 5.820) 9.754 11.011 ( 4.131 -0.685 -9.871) 10.722 11.011 ( 4.131 -0.685 9.871) 10.722 11.353 ( -7.752 -10.194 -6.664) 14.436 11.353 ( -7.752 -10.194 6.664) 14.436 11.902 ( -1.850 -7.207 -4.436) 8.663 11.902 ( -1.850 -7.207 4.436) 8.663 12.300 ( -2.141 -2.246 -1.945) 3.662 12.300 ( -2.141 -2.246 1.945) 3.662 12.927 ( 8.056 -9.997 -10.497) 16.584 12.927 ( 8.056 -9.997 10.497) 16.584 13.874 ( 0.345 2.489 -6.510) 6.978 13.874 ( 0.345 2.489 6.510) 6.978 14.382 ( 14.925 6.411 -6.234) 17.399 14.382 ( 14.925 6.411 6.234) 17.399 15.008 ( -18.810 3.953 -3.534) 19.543 15.008 ( -18.810 3.953 3.534) 19.543 15.530 ( -1.633 -0.407 -1.944) 2.571 15.530 ( -1.633 -0.407 1.944) 2.571 16.171 ( 1.611 -5.234 -4.505) 7.091 16.171 ( 1.611 -5.234 4.505) 7.091 16.469 ( -7.196 -7.740 -4.390) 11.444 16.469 ( -7.196 -7.740 4.390) 11.444 17.225 ( -2.147 7.460 -8.448) 11.473 17.225 ( -2.147 7.460 8.448) 11.473 20.506 ( -0.881 11.601 -10.849) 15.908 20.506 ( -0.881 11.601 10.849) 15.908 21.801 ( 12.541 10.155 -12.662) 20.512 21.801 ( 12.541 10.155 12.662) 20.512 22.973 ( -1.608 9.397 -6.624) 11.609 22.973 ( -1.608 9.397 6.624) 11.609 23.496 ( -2.328 -10.815 -19.281) 22.229 23.496 ( -2.328 -10.815 19.281) 22.229 ======================= Grid point 374 (119/125) ======================= q-point: (-0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.748 ( 0.000 12.340 -26.280) 29.033 3.748 ( 0.000 12.340 26.280) 29.033 3.801 ( 0.000 19.470 -22.911) 30.066 3.801 ( 0.000 19.470 22.911) 30.066 5.530 ( -0.000 -0.605 -17.932) 17.942 5.530 ( -0.000 -0.605 17.932) 17.942 5.924 ( -0.000 -4.594 -7.603) 8.883 5.924 ( -0.000 -4.594 7.603) 8.883 7.064 ( -0.000 -15.310 -19.589) 24.862 7.064 ( -0.000 -15.310 19.589) 24.862 7.333 ( -0.000 -10.384 -10.957) 15.095 7.333 ( -0.000 -10.384 10.957) 15.095 8.398 ( 0.000 18.317 -22.396) 28.933 8.398 ( 0.000 18.317 22.396) 28.933 8.724 ( 0.000 2.287 -7.349) 7.696 8.724 ( 0.000 2.287 7.349) 7.696 9.745 ( 0.000 1.416 -19.657) 19.708 9.745 ( 0.000 1.416 19.657) 19.708 10.331 ( -0.000 -11.849 -34.161) 36.158 10.331 ( -0.000 -11.849 34.161) 36.158 10.847 ( -0.000 -3.278 -13.683) 14.071 10.847 ( -0.000 -3.278 13.683) 14.071 10.883 ( 0.000 13.941 -9.439) 16.836 10.883 ( 0.000 13.941 9.439) 16.836 11.632 ( -0.000 -23.160 -6.300) 24.002 11.632 ( -0.000 -23.160 6.300) 24.002 12.023 ( -0.000 -10.557 -6.801) 12.557 12.023 ( -0.000 -10.557 6.801) 12.557 12.330 ( -0.000 -4.974 -0.945) 5.063 12.330 ( -0.000 -4.974 0.945) 5.063 13.138 ( -0.000 -8.940 -10.543) 13.823 13.138 ( -0.000 -8.940 10.543) 13.823 13.825 ( 0.000 4.102 -5.774) 7.083 13.825 ( 0.000 4.102 5.774) 7.083 14.443 ( 0.000 8.445 -9.161) 12.459 14.443 ( 0.000 8.445 9.161) 12.459 14.754 ( 0.000 2.365 -7.504) 7.868 14.754 ( 0.000 2.365 7.504) 7.868 15.533 ( -0.000 -1.214 -2.429) 2.715 15.533 ( -0.000 -1.214 2.429) 2.715 16.256 ( -0.000 -4.474 -6.581) 7.957 16.256 ( -0.000 -4.474 6.581) 7.957 16.521 ( -0.000 -5.888 -4.614) 7.480 16.521 ( -0.000 -5.888 4.614) 7.480 17.083 ( 0.000 8.616 -4.928) 9.926 17.083 ( 0.000 8.616 4.928) 9.926 20.345 ( 0.000 8.458 -9.576) 12.777 20.345 ( 0.000 8.458 9.576) 12.777 21.724 ( 0.000 11.445 -12.859) 17.215 21.724 ( 0.000 11.445 12.859) 17.215 22.793 ( 0.000 11.399 -8.151) 14.013 22.793 ( 0.000 11.399 8.151) 14.013 23.659 ( -0.000 -11.747 -20.627) 23.737 23.659 ( -0.000 -11.747 20.627) 23.737 ======================= Grid point 384 (120/125) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.064 ( 17.728 -0.000 -20.480) 27.087 4.064 ( 17.728 -0.000 20.480) 27.087 4.228 ( 17.905 -0.000 -13.378) 22.350 4.228 ( 17.905 -0.000 13.378) 22.350 5.487 ( -25.008 0.000 -1.851) 25.077 5.487 ( -25.008 0.000 1.851) 25.077 6.101 ( -6.620 0.000 -15.505) 16.859 6.101 ( -6.620 0.000 15.505) 16.859 6.863 ( 13.338 -0.000 -1.599) 13.434 6.863 ( 13.338 -0.000 1.599) 13.434 7.445 ( 7.278 -0.000 -20.452) 21.708 7.445 ( 7.278 -0.000 20.452) 21.708 8.323 ( -6.277 0.000 -6.699) 9.180 8.323 ( -6.277 0.000 6.699) 9.180 8.914 ( 8.758 -0.000 -8.568) 12.252 8.914 ( 8.758 -0.000 8.568) 12.252 9.498 ( -10.115 0.000 -6.265) 11.898 9.498 ( -10.115 0.000 6.265) 11.898 9.741 ( -10.495 0.000 -8.120) 13.270 9.741 ( -10.495 0.000 8.120) 13.270 10.579 ( 6.442 -0.000 -26.558) 27.328 10.579 ( 6.442 -0.000 26.558) 27.328 11.049 ( -18.602 0.000 -5.654) 19.442 11.049 ( -18.602 0.000 5.654) 19.442 11.435 ( 6.769 -0.000 -18.659) 19.849 11.435 ( 6.769 -0.000 18.659) 19.849 11.846 ( -5.992 0.000 -4.659) 7.590 11.846 ( -5.992 0.000 4.659) 7.590 12.401 ( -0.756 0.000 -6.363) 6.408 12.401 ( -0.756 0.000 6.363) 6.408 12.546 ( -7.696 0.000 -0.364) 7.705 12.546 ( -7.696 0.000 0.364) 7.705 13.796 ( 2.378 -0.000 -3.510) 4.240 13.796 ( 2.378 -0.000 3.510) 4.240 14.355 ( 4.812 -0.000 -10.928) 11.940 14.355 ( 4.812 -0.000 10.928) 11.940 15.401 ( 9.935 -0.000 -0.117) 9.936 15.401 ( 9.935 -0.000 0.117) 9.936 15.603 ( -6.092 0.000 -0.962) 6.167 15.603 ( -6.092 0.000 0.962) 6.168 16.137 ( -12.761 0.000 -0.157) 12.762 16.137 ( -12.761 0.000 0.157) 12.762 16.243 ( -6.378 0.000 -1.878) 6.649 16.243 ( -6.378 0.000 1.878) 6.649 17.452 ( 1.992 -0.000 -15.338) 15.467 17.452 ( 1.992 -0.000 15.338) 15.467 21.174 ( 2.618 -0.000 -0.253) 2.630 21.174 ( 2.618 -0.000 0.253) 2.630 21.467 ( 22.714 -0.000 -9.171) 24.496 21.467 ( 22.714 -0.000 9.171) 24.496 22.710 ( 6.757 -0.000 -8.555) 10.902 22.710 ( 6.757 -0.000 8.555) 10.902 23.696 ( -8.726 0.000 -18.875) 20.794 23.696 ( -8.726 0.000 18.875) 20.794 ======================= Grid point 386 (121/125) ======================= q-point: ( 0.44 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.313 ( 2.572 -5.938 -10.126) 12.017 4.313 ( 2.572 -5.938 10.126) 12.017 4.397 ( 1.615 -6.342 -4.624) 8.013 4.397 ( 1.615 -6.342 4.624) 8.013 5.249 ( 4.227 6.482 -3.129) 8.347 5.249 ( 4.227 6.482 3.129) 8.347 5.952 ( -3.231 11.464 -11.107) 16.286 5.952 ( -3.231 11.464 11.107) 16.286 6.942 ( 4.885 7.489 -14.323) 16.885 6.942 ( 4.885 7.489 14.323) 16.885 7.511 ( -0.022 1.003 -4.839) 4.942 7.511 ( -0.022 1.003 4.839) 4.942 8.300 ( 5.501 -7.240 -6.622) 11.248 8.300 ( 5.501 -7.240 6.622) 11.248 9.056 ( -4.574 -0.008 -7.520) 8.802 9.056 ( -4.574 -0.008 7.520) 8.802 9.330 ( 0.589 0.372 -6.598) 6.635 9.330 ( 0.589 0.372 6.598) 6.635 9.783 ( -0.293 -13.103 -23.401) 26.822 9.783 ( -0.293 -13.103 23.401) 26.822 10.527 ( -17.514 -1.143 -6.820) 18.830 10.527 ( -17.514 -1.143 6.820) 18.830 10.871 ( 0.505 2.570 -15.945) 16.159 10.871 ( 0.505 2.570 15.945) 16.159 11.547 ( 4.913 -1.547 -18.666) 19.364 11.547 ( 4.913 -1.547 18.666) 19.364 11.775 ( -4.815 0.133 -2.814) 5.579 11.775 ( -4.815 0.133 2.814) 5.579 12.334 ( -5.549 1.362 -3.088) 6.495 12.334 ( -5.549 1.362 3.088) 6.495 12.523 ( 2.010 -2.377 -6.672) 7.362 12.523 ( 2.010 -2.377 6.672) 7.362 13.835 ( 0.910 -1.929 -4.463) 4.946 13.835 ( 0.910 -1.929 4.463) 4.946 14.435 ( 9.307 2.367 -10.494) 14.225 14.435 ( 9.307 2.367 10.494) 14.225 15.379 ( -9.877 3.518 -1.646) 10.613 15.379 ( -9.877 3.518 1.646) 10.613 15.585 ( 1.262 -0.997 -4.861) 5.120 15.585 ( 1.262 -0.997 4.861) 5.120 15.994 ( -3.630 0.280 -2.500) 4.416 15.994 ( -3.630 0.280 2.500) 4.416 16.210 ( -7.898 -6.807 -3.660) 11.050 16.210 ( -7.898 -6.807 3.660) 11.050 17.453 ( 0.039 1.778 -15.365) 15.468 17.453 ( 0.039 1.778 15.365) 15.468 21.110 ( 1.209 10.477 -7.295) 12.823 21.110 ( 1.209 10.477 7.295) 12.823 21.803 ( 22.935 0.222 -12.463) 26.103 21.803 ( 22.935 0.222 12.463) 26.103 22.816 ( 1.036 -6.432 -11.427) 13.154 22.816 ( 1.036 -6.432 11.427) 13.154 23.561 ( -6.873 3.040 -15.346) 17.087 23.561 ( -6.873 3.040 15.346) 17.087 ======================= Grid point 388 (122/125) ======================= q-point: (-0.44 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.179 ( -17.056 -1.991 -10.586) 20.173 4.179 ( -17.056 -1.991 10.586) 20.173 4.581 ( 5.717 -1.192 -7.400) 9.426 4.581 ( 5.717 -1.192 7.400) 9.426 5.355 ( 17.337 5.475 -4.673) 18.772 5.355 ( 17.337 5.475 4.673) 18.772 5.715 ( -4.087 9.966 -8.021) 13.430 5.715 ( -4.087 9.966 8.021) 13.430 6.862 ( 2.949 6.554 -26.612) 27.565 6.862 ( 2.949 6.554 26.612) 27.565 7.402 ( -7.068 4.824 -4.483) 9.661 7.402 ( -7.068 4.824 4.483) 9.661 8.634 ( 12.853 -10.875 -5.272) 17.642 8.634 ( 12.853 -10.875 5.272) 17.642 8.920 ( -5.182 -0.331 -11.284) 12.422 8.920 ( -5.182 -0.331 11.284) 12.422 9.433 ( 9.078 -1.302 -5.928) 10.920 9.433 ( 9.078 -1.302 5.928) 10.920 9.951 ( -13.047 -7.846 -14.813) 21.242 9.951 ( -13.047 -7.846 14.813) 21.242 10.367 ( -7.577 -16.309 -13.004) 22.192 10.367 ( -7.577 -16.309 13.004) 22.192 10.893 ( 3.773 1.631 -22.201) 22.578 10.893 ( 3.773 1.631 22.201) 22.578 11.554 ( 0.109 7.454 -15.368) 17.080 11.554 ( 0.109 7.454 15.368) 17.080 11.718 ( -3.680 -3.073 -2.375) 5.350 11.718 ( -3.680 -3.073 2.375) 5.350 12.274 ( -1.777 -0.392 -3.327) 3.792 12.274 ( -1.777 -0.392 3.327) 3.792 12.642 ( 3.730 -7.483 -9.461) 12.626 12.642 ( 3.730 -7.483 9.461) 12.626 13.872 ( -0.102 -2.029 -5.845) 6.188 13.872 ( -0.102 -2.029 5.845) 6.188 14.550 ( 13.873 4.081 -8.449) 16.748 14.550 ( 13.873 4.081 8.449) 16.748 15.120 ( -17.847 3.361 -4.358) 18.676 15.120 ( -17.847 3.361 4.358) 18.676 15.575 ( 0.495 3.144 -3.292) 4.580 15.575 ( 0.495 3.144 3.292) 4.580 16.026 ( 2.033 -3.908 -3.462) 5.603 16.026 ( 2.033 -3.908 3.462) 5.603 16.219 ( -6.362 -7.998 -3.829) 10.913 16.219 ( -6.362 -7.998 3.829) 10.913 17.403 ( -0.636 4.111 -14.078) 14.679 17.403 ( -0.636 4.111 14.078) 14.679 20.924 ( 0.356 14.659 -10.462) 18.013 20.924 ( 0.356 14.659 10.462) 18.013 22.050 ( 16.075 5.383 -14.008) 21.991 22.050 ( 16.075 5.383 14.008) 21.991 22.930 ( -3.546 -11.116 -14.908) 18.931 22.930 ( -3.546 -11.116 14.908) 18.931 23.423 ( -3.106 5.277 -9.618) 11.402 23.423 ( -3.106 5.277 9.618) 11.402 ======================= Grid point 390 (123/125) ======================= q-point: (-0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.034 ( 0.000 4.304 -15.201) 15.799 4.034 ( 0.000 4.304 15.201) 15.799 4.479 ( 0.000 18.398 -5.842) 19.303 4.479 ( 0.000 18.398 5.842) 19.303 5.488 ( 0.000 0.032 -9.476) 9.476 5.488 ( 0.000 0.032 9.476) 9.476 5.614 ( -0.000 -6.827 -6.212) 9.231 5.614 ( -0.000 -6.827 6.212) 9.231 6.859 ( -0.000 -0.122 -29.675) 29.676 6.859 ( -0.000 -0.122 29.675) 29.676 7.248 ( 0.000 4.497 -6.149) 7.618 7.248 ( 0.000 4.497 6.149) 7.618 8.782 ( 0.000 1.356 -9.795) 9.888 8.782 ( 0.000 1.356 9.795) 9.888 8.902 ( 0.000 6.377 -27.826) 28.548 8.902 ( 0.000 6.377 27.826) 28.548 9.701 ( -0.000 -18.228 -13.365) 22.602 9.701 ( -0.000 -18.228 13.365) 22.602 9.768 ( 0.000 0.110 -16.060) 16.060 9.768 ( 0.000 0.110 16.060) 16.060 10.730 ( -0.000 -27.817 -15.674) 31.929 10.730 ( -0.000 -27.817 15.674) 31.929 10.885 ( 0.000 2.597 -17.482) 17.674 10.885 ( 0.000 2.597 17.482) 17.674 11.377 ( 0.000 12.603 -13.297) 18.321 11.377 ( 0.000 12.603 13.297) 18.321 11.774 ( -0.000 -6.857 -5.098) 8.545 11.774 ( -0.000 -6.857 5.098) 8.545 12.272 ( -0.000 -0.532 -2.983) 3.030 12.272 ( -0.000 -0.532 2.983) 3.030 12.820 ( -0.000 -10.880 -10.808) 15.336 12.820 ( -0.000 -10.880 10.808) 15.336 13.889 ( -0.000 -0.277 -6.794) 6.800 13.889 ( -0.000 -0.277 6.794) 6.800 14.649 ( 0.000 4.900 -9.558) 10.741 14.649 ( 0.000 4.900 9.558) 10.741 14.859 ( 0.000 4.552 -8.792) 9.900 14.859 ( 0.000 4.552 8.792) 9.900 15.535 ( 0.000 2.017 -1.894) 2.767 15.535 ( 0.000 2.017 1.894) 2.767 16.113 ( -0.000 -4.689 -6.458) 7.981 16.113 ( -0.000 -4.689 6.458) 7.981 16.293 ( -0.000 -8.435 -6.063) 10.388 16.293 ( -0.000 -8.435 6.063) 10.388 17.317 ( 0.000 6.324 -11.697) 13.297 17.317 ( 0.000 6.324 11.697) 13.297 20.702 ( 0.000 14.520 -11.283) 18.389 20.702 ( 0.000 14.520 11.283) 18.389 22.052 ( 0.000 9.477 -14.411) 17.248 22.052 ( 0.000 9.477 14.411) 17.248 23.028 ( -0.000 -2.550 -10.930) 11.224 23.028 ( -0.000 -2.550 10.930) 11.224 23.359 ( -0.000 -2.221 -7.481) 7.803 23.359 ( -0.000 -2.221 7.481) 7.803 ======================= Grid point 404 (124/125) ======================= q-point: ( 0.44 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.098 ( -14.391 0.000 -3.695) 14.858 4.098 ( -14.391 0.000 3.695) 14.858 4.472 ( 7.677 -0.000 -10.271) 12.823 4.472 ( 7.677 -0.000 10.271) 12.823 5.480 ( 16.680 -0.000 -6.591) 17.935 5.480 ( 16.680 -0.000 6.591) 17.935 6.009 ( -3.396 0.000 -7.035) 7.811 6.009 ( -3.396 0.000 7.035) 7.811 7.050 ( 0.253 -0.000 -21.505) 21.506 7.050 ( 0.253 -0.000 21.505) 21.506 7.485 ( -3.798 0.000 -0.600) 3.845 7.485 ( -3.798 0.000 0.600) 3.845 8.252 ( 2.919 -0.000 -1.033) 3.096 8.252 ( 2.919 -0.000 1.033) 3.096 8.985 ( -6.733 0.000 -3.503) 7.589 8.985 ( -6.733 0.000 3.503) 7.589 9.480 ( 16.566 -0.000 -6.114) 17.658 9.480 ( 16.566 -0.000 6.114) 17.658 9.670 ( 0.613 -0.000 -29.215) 29.222 9.670 ( 0.613 -0.000 29.215) 29.222 10.189 ( -25.018 0.000 -0.675) 25.028 10.189 ( -25.018 0.000 0.675) 25.028 10.942 ( 3.861 -0.000 -31.881) 32.114 10.942 ( 3.861 -0.000 31.881) 32.114 11.577 ( 0.870 -0.000 -21.375) 21.393 11.577 ( 0.870 -0.000 21.375) 21.393 11.761 ( 0.859 -0.000 -1.499) 1.728 11.761 ( 0.859 -0.000 1.499) 1.728 12.268 ( -4.377 0.000 -1.703) 4.696 12.268 ( -4.377 0.000 1.703) 4.696 12.527 ( 1.550 -0.000 -6.133) 6.326 12.527 ( 1.550 -0.000 6.133) 6.326 13.825 ( 0.093 -0.000 -3.883) 3.884 13.825 ( 0.093 -0.000 3.883) 3.884 14.610 ( 12.699 -0.000 -9.411) 15.806 14.610 ( 12.699 -0.000 9.411) 15.806 15.181 ( -17.520 0.000 -5.213) 18.279 15.181 ( -17.520 0.000 5.213) 18.279 15.648 ( 4.094 -0.000 -4.870) 6.362 15.648 ( 4.094 -0.000 4.870) 6.362 15.967 ( 0.021 -0.000 -2.958) 2.958 15.967 ( 0.021 -0.000 2.958) 2.958 16.066 ( -5.408 0.000 -1.086) 5.516 16.066 ( -5.408 0.000 1.086) 5.516 17.466 ( -0.164 0.000 -16.200) 16.201 17.466 ( -0.164 0.000 16.200) 16.201 21.209 ( 0.629 -0.000 -2.447) 2.527 21.209 ( 0.629 -0.000 2.447) 2.527 22.110 ( 19.653 -0.000 -14.870) 24.645 22.110 ( 19.653 -0.000 14.870) 24.645 22.709 ( -7.682 0.000 -14.260) 16.197 22.709 ( -7.682 0.000 14.260) 16.197 23.523 ( -2.401 0.000 -10.513) 10.784 23.523 ( -2.401 0.000 10.513) 10.784 ======================= Grid point 406 (125/125) ======================= q-point: (-0.44 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.010 ( -0.000 -2.832 -5.975) 6.612 4.010 ( -0.000 -2.832 5.975) 6.612 4.569 ( -0.000 -4.792 -8.874) 10.086 4.569 ( -0.000 -4.792 8.874) 10.086 5.593 ( 0.000 4.360 -10.230) 11.120 5.593 ( 0.000 4.360 10.230) 11.120 5.865 ( 0.000 12.871 -6.380) 14.366 5.865 ( 0.000 12.871 6.380) 14.366 6.976 ( 0.000 6.975 -27.415) 28.289 6.976 ( 0.000 6.975 27.415) 28.289 7.421 ( 0.000 3.885 -3.411) 5.169 7.421 ( 0.000 3.885 3.411) 5.169 8.459 ( -0.000 -20.507 -3.366) 20.781 8.459 ( -0.000 -20.507 3.366) 20.781 8.877 ( 0.000 5.178 -7.389) 9.023 8.877 ( 0.000 5.178 7.389) 9.023 9.666 ( 0.000 4.779 -15.295) 16.025 9.666 ( 0.000 4.779 15.295) 16.025 9.720 ( -0.000 -4.649 -18.800) 19.366 9.720 ( -0.000 -4.649 18.800) 19.366 10.016 ( -0.000 -13.840 -10.290) 17.246 10.016 ( -0.000 -13.840 10.290) 17.246 10.958 ( 0.000 1.788 -32.364) 32.414 10.958 ( 0.000 1.788 32.364) 32.414 11.592 ( -0.000 -1.465 -20.047) 20.101 11.592 ( -0.000 -1.465 20.047) 20.101 11.729 ( 0.000 5.268 -2.481) 5.823 11.729 ( 0.000 5.268 2.481) 5.823 12.245 ( -0.000 -1.131 -2.707) 2.934 12.245 ( -0.000 -1.131 2.707) 2.934 12.572 ( -0.000 -4.400 -7.784) 8.942 12.572 ( -0.000 -4.400 7.784) 8.942 13.839 ( -0.000 -1.782 -4.607) 4.940 13.839 ( -0.000 -1.782 4.607) 4.940 14.737 ( 0.000 1.227 -7.324) 7.426 14.737 ( 0.000 1.227 7.324) 7.426 14.986 ( 0.000 2.819 -9.040) 9.470 14.986 ( 0.000 2.819 9.040) 9.470 15.644 ( 0.000 3.883 -4.402) 5.869 15.644 ( 0.000 3.883 4.402) 5.869 15.999 ( -0.000 -2.273 -6.140) 6.547 15.999 ( -0.000 -2.273 6.140) 6.547 16.061 ( -0.000 -5.705 -4.912) 7.529 16.061 ( -0.000 -5.705 4.912) 7.529 17.448 ( 0.000 2.197 -15.737) 15.889 17.448 ( 0.000 2.197 15.737) 15.889 21.127 ( 0.000 10.631 -7.277) 12.883 21.127 ( 0.000 10.631 7.277) 12.883 22.256 ( 0.000 3.620 -15.316) 15.738 22.256 ( 0.000 3.620 15.316) 15.738 22.703 ( -0.000 -10.306 -16.865) 19.765 22.703 ( -0.000 -10.306 16.865) 19.765 23.479 ( 0.000 3.742 -8.250) 9.059 23.479 ( 0.000 3.742 8.250) 9.059 =================== 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 3/34992 10.0 625.180 986.264 1722.670 0.000 0.000 0.000 3/34992 20.0 615.013 778.969 1383.302 0.000 0.000 0.000 3/34992 30.0 378.063 438.460 651.562 0.000 0.000 0.000 3/34992 40.0 243.421 262.411 375.812 0.000 0.000 0.000 3/34992 50.0 164.754 168.327 238.420 0.000 0.000 0.000 3/34992 60.0 115.826 114.248 161.776 0.000 0.000 0.000 3/34992 70.0 84.664 81.632 115.779 0.000 0.000 0.000 3/34992 80.0 64.282 61.042 86.651 0.000 0.000 0.000 3/34992 90.0 50.520 47.466 67.370 0.000 0.000 0.000 3/34992 100.0 40.917 38.149 54.101 0.000 0.000 0.000 3/34992 110.0 34.001 31.521 44.648 0.000 0.000 0.000 3/34992 120.0 28.875 26.653 37.703 0.000 0.000 0.000 3/34992 130.0 24.975 22.975 32.458 0.000 0.000 0.000 3/34992 140.0 21.939 20.127 28.401 0.000 0.000 0.000 3/34992 150.0 19.527 17.874 25.194 0.000 0.000 0.000 3/34992 160.0 17.576 16.056 22.611 0.000 0.000 0.000 3/34992 170.0 15.971 14.565 20.496 0.000 0.000 0.000 3/34992 180.0 14.633 13.324 18.738 0.000 0.000 0.000 3/34992 190.0 13.503 12.277 17.258 0.000 0.000 0.000 3/34992 200.0 12.538 11.384 15.997 0.000 0.000 0.000 3/34992 210.0 11.705 10.614 14.911 0.000 0.000 0.000 3/34992 220.0 10.979 9.943 13.967 0.000 0.000 0.000 3/34992 230.0 10.342 9.354 13.140 0.000 0.000 0.000 3/34992 240.0 9.778 8.833 12.409 0.000 0.000 0.000 3/34992 250.0 9.275 8.370 11.759 0.000 0.000 0.000 3/34992 260.0 8.825 7.954 11.177 0.000 0.000 0.000 3/34992 270.0 8.419 7.580 10.652 0.000 0.000 0.000 3/34992 280.0 8.050 7.240 10.178 0.000 0.000 0.000 3/34992 290.0 7.715 6.931 9.747 0.000 0.000 0.000 3/34992 300.0 7.408 6.649 9.352 0.000 0.000 0.000 3/34992 310.0 7.127 6.390 8.991 0.000 0.000 0.000 3/34992 320.0 6.867 6.151 8.658 0.000 0.000 0.000 3/34992 330.0 6.627 5.930 8.350 0.000 0.000 0.000 3/34992 340.0 6.404 5.726 8.064 0.000 0.000 0.000 3/34992 350.0 6.196 5.536 7.799 0.000 0.000 0.000 3/34992 360.0 6.002 5.358 7.552 0.000 0.000 0.000 3/34992 370.0 5.821 5.192 7.320 0.000 0.000 0.000 3/34992 380.0 5.651 5.037 7.104 0.000 0.000 0.000 3/34992 390.0 5.491 4.891 6.900 0.000 0.000 0.000 3/34992 400.0 5.341 4.753 6.708 0.000 0.000 0.000 3/34992 410.0 5.199 4.624 6.528 0.000 0.000 0.000 3/34992 420.0 5.064 4.501 6.357 0.000 0.000 0.000 3/34992 430.0 4.937 4.386 6.195 0.000 0.000 0.000 3/34992 440.0 4.816 4.276 6.042 0.000 0.000 0.000 3/34992 450.0 4.702 4.172 5.897 0.000 0.000 0.000 3/34992 460.0 4.593 4.073 5.758 0.000 0.000 0.000 3/34992 470.0 4.489 3.978 5.626 0.000 0.000 0.000 3/34992 480.0 4.390 3.889 5.501 0.000 0.000 0.000 3/34992 490.0 4.295 3.803 5.381 0.000 0.000 0.000 3/34992 500.0 4.204 3.721 5.266 0.000 0.000 0.000 3/34992 510.0 4.118 3.643 5.157 0.000 0.000 0.000 3/34992 520.0 4.035 3.568 5.052 0.000 0.000 0.000 3/34992 530.0 3.955 3.496 4.951 0.000 0.000 0.000 3/34992 540.0 3.879 3.427 4.855 0.000 0.000 0.000 3/34992 550.0 3.805 3.361 4.762 0.000 0.000 0.000 3/34992 560.0 3.735 3.297 4.673 0.000 0.000 0.000 3/34992 570.0 3.667 3.236 4.587 0.000 0.000 0.000 3/34992 580.0 3.601 3.177 4.504 0.000 0.000 0.000 3/34992 590.0 3.538 3.120 4.425 0.000 0.000 0.000 3/34992 600.0 3.477 3.066 4.348 0.000 0.000 0.000 3/34992 610.0 3.418 3.013 4.274 0.000 0.000 0.000 3/34992 620.0 3.362 2.962 4.203 0.000 0.000 0.000 3/34992 630.0 3.307 2.913 4.133 0.000 0.000 0.000 3/34992 640.0 3.254 2.865 4.067 0.000 0.000 0.000 3/34992 650.0 3.202 2.819 4.002 0.000 0.000 0.000 3/34992 660.0 3.153 2.775 3.939 0.000 0.000 0.000 3/34992 670.0 3.104 2.732 3.879 0.000 0.000 0.000 3/34992 680.0 3.058 2.690 3.820 0.000 0.000 0.000 3/34992 690.0 3.012 2.650 3.763 0.000 0.000 0.000 3/34992 700.0 2.968 2.610 3.708 0.000 0.000 0.000 3/34992 710.0 2.926 2.572 3.654 0.000 0.000 0.000 3/34992 720.0 2.884 2.535 3.602 0.000 0.000 0.000 3/34992 730.0 2.844 2.500 3.552 0.000 0.000 0.000 3/34992 740.0 2.805 2.465 3.503 0.000 0.000 0.000 3/34992 750.0 2.767 2.431 3.455 0.000 0.000 0.000 3/34992 760.0 2.730 2.398 3.408 0.000 0.000 0.000 3/34992 770.0 2.694 2.366 3.363 0.000 0.000 0.000 3/34992 780.0 2.659 2.335 3.319 0.000 0.000 0.000 3/34992 790.0 2.625 2.304 3.276 0.000 0.000 0.000 3/34992 800.0 2.591 2.275 3.235 0.000 0.000 0.000 3/34992 810.0 2.559 2.246 3.194 0.000 0.000 0.000 3/34992 820.0 2.527 2.218 3.154 0.000 0.000 0.000 3/34992 830.0 2.497 2.191 3.116 0.000 0.000 0.000 3/34992 840.0 2.466 2.164 3.078 0.000 0.000 0.000 3/34992 850.0 2.437 2.138 3.041 0.000 0.000 0.000 3/34992 860.0 2.408 2.112 3.005 0.000 0.000 0.000 3/34992 870.0 2.380 2.088 2.970 0.000 0.000 0.000 3/34992 880.0 2.353 2.063 2.936 0.000 0.000 0.000 3/34992 890.0 2.326 2.040 2.902 0.000 0.000 0.000 3/34992 900.0 2.300 2.017 2.870 0.000 0.000 0.000 3/34992 910.0 2.275 1.994 2.838 0.000 0.000 0.000 3/34992 920.0 2.250 1.972 2.806 0.000 0.000 0.000 3/34992 930.0 2.225 1.950 2.776 0.000 0.000 0.000 3/34992 940.0 2.202 1.929 2.746 0.000 0.000 0.000 3/34992 950.0 2.178 1.908 2.717 0.000 0.000 0.000 3/34992 960.0 2.155 1.888 2.688 0.000 0.000 0.000 3/34992 970.0 2.133 1.868 2.660 0.000 0.000 0.000 3/34992 980.0 2.111 1.849 2.633 0.000 0.000 0.000 3/34992 990.0 2.090 1.830 2.606 0.000 0.000 0.000 3/34992 1000.0 2.069 1.811 2.579 0.000 0.000 0.000 3/34992 Thermal conductivity related properties were written into "kappa-m998.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:17:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|