----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 20:22:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.138972573503088 -3.524267915000000 0.000000000000000 b 8.138972573503088 3.524267915000000 0.000000000000000 c -0.843042008823613 0.000000000000000 7.856643127979786 Atomic positions (fractional): *1 Ag 0.50000000000000 0.00000000000000 0.00000000000000 107.868 2 Ag 0.00000000000000 0.50000000000000 0.50000000000000 107.868 *3 Pb 0.12855329023792 0.66447067104737 0.93063311791107 207.200 4 Pb 0.87144670976208 0.33552932895263 0.06936688208893 207.200 5 Pb 0.66447067104737 0.12855329023792 0.43063311791107 207.200 6 Pb 0.33552932895263 0.87144670976208 0.56936688208893 207.200 *7 Br 0.86073807437553 0.69517651988914 0.18225252307110 79.904 *8 Br 0.07163448914003 0.92836551085997 0.25000000000000 79.904 9 Br 0.13926192562447 0.30482348011086 0.81774747692890 79.904 *10 Br 0.70883384644823 0.46391813372811 0.42632808919897 79.904 11 Br 0.46391813372811 0.70883384644823 0.92632808919897 79.904 12 Br 0.29116615355177 0.53608186627189 0.57367191080103 79.904 13 Br 0.53608186627189 0.29116615355177 0.07367191080103 79.904 14 Br 0.30482348011086 0.13926192562447 0.31774747692890 79.904 15 Br 0.69517651988914 0.86073807437553 0.68225252307110 79.904 16 Br 0.92836551085997 0.07163448914003 0.75000000000000 79.904 -------------------------------- unit cell --------------------------------- Lattice vectors: a 16.277945147006175 0.000000000000000 0.000000000000000 b 0.000000000000000 7.048535830000000 0.000000000000000 c -0.843042008823613 0.000000000000000 7.856643127979786 Atomic positions (fractional): *1 Ag 0.75000000000000 0.25000000000000 0.00000000000000 107.868 > 1 2 Ag 0.75000000000000 0.75000000000000 0.50000000000000 107.868 > 2 3 Ag 0.25000000000000 0.75000000000000 0.00000000000000 107.868 > 1 4 Ag 0.25000000000000 0.25000000000000 0.50000000000000 107.868 > 2 *5 Pb 0.89651198064265 0.76795869040472 0.93063311791107 207.200 > 3 6 Pb 0.60348801935735 0.73204130959528 0.06936688208893 207.200 > 4 7 Pb 0.89651198064265 0.23204130959528 0.43063311791107 207.200 > 5 8 Pb 0.60348801935735 0.26795869040472 0.56936688208893 207.200 > 6 9 Pb 0.39651198064265 0.26795869040472 0.93063311791107 207.200 > 3 10 Pb 0.10348801935735 0.23204130959528 0.06936688208893 207.200 > 4 11 Pb 0.39651198064265 0.73204130959528 0.43063311791107 207.200 > 5 12 Pb 0.10348801935735 0.76795869040472 0.56936688208893 207.200 > 6 *13 Br 0.77795729713234 0.91721922275681 0.18225252307110 79.904 > 7 *14 Br 0.00000000000000 0.92836551085997 0.25000000000000 79.904 > 8 15 Br 0.72204270286766 0.58278077724319 0.81774747692890 79.904 > 9 *16 Br 0.58637599008817 0.87754214363994 0.42632808919897 79.904 > 10 17 Br 0.58637599008817 0.12245785636006 0.92632808919897 79.904 > 11 18 Br 0.91362400991183 0.62245785636006 0.57367191080103 79.904 > 12 19 Br 0.91362400991183 0.37754214363994 0.07367191080103 79.904 > 13 20 Br 0.72204270286766 0.41721922275681 0.31774747692890 79.904 > 14 21 Br 0.77795729713234 0.08278077724320 0.68225252307110 79.904 > 15 22 Br 0.00000000000000 0.07163448914003 0.75000000000000 79.904 > 16 23 Br 0.27795729713234 0.41721922275681 0.18225252307110 79.904 > 7 24 Br 0.50000000000000 0.42836551085997 0.25000000000000 79.904 > 8 25 Br 0.22204270286766 0.08278077724320 0.81774747692890 79.904 > 9 26 Br 0.08637599008817 0.37754214363994 0.42632808919897 79.904 > 10 27 Br 0.08637599008817 0.62245785636006 0.92632808919897 79.904 > 11 28 Br 0.41362400991183 0.12245785636006 0.57367191080103 79.904 > 12 29 Br 0.41362400991183 0.87754214363994 0.07367191080103 79.904 > 13 30 Br 0.22204270286766 0.91721922275681 0.31774747692890 79.904 > 14 31 Br 0.27795729713234 0.58278077724319 0.68225252307110 79.904 > 15 32 Br 0.50000000000000 0.57163448914003 0.75000000000000 79.904 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.277945147006175 0.000000000000000 0.000000000000000 b 0.000000000000000 14.097071659999999 0.000000000000000 c -1.686084017647226 0.000000000000000 15.713286255959572 Atomic positions (fractional): *1 Ag 0.75000000000000 0.12500000000000 0.00000000000000 107.868 > 1 2 Ag 0.75000000000000 0.62500000000000 0.00000000000000 107.868 > 1 3 Ag 0.75000000000000 0.12500000000000 0.50000000000000 107.868 > 1 4 Ag 0.75000000000000 0.62500000000000 0.50000000000000 107.868 > 1 5 Ag 0.75000000000000 0.37500000000000 0.25000000000000 107.868 > 2 6 Ag 0.75000000000000 0.87500000000000 0.25000000000000 107.868 > 2 7 Ag 0.75000000000000 0.37500000000000 0.75000000000000 107.868 > 2 8 Ag 0.75000000000000 0.87500000000000 0.75000000000000 107.868 > 2 9 Ag 0.25000000000000 0.37500000000000 0.00000000000000 107.868 > 1 10 Ag 0.25000000000000 0.87500000000000 0.00000000000000 107.868 > 1 11 Ag 0.25000000000000 0.37500000000000 0.50000000000000 107.868 > 1 12 Ag 0.25000000000000 0.87500000000000 0.50000000000000 107.868 > 1 13 Ag 0.25000000000000 0.12500000000000 0.25000000000000 107.868 > 2 14 Ag 0.25000000000000 0.62500000000000 0.25000000000000 107.868 > 2 15 Ag 0.25000000000000 0.12500000000000 0.75000000000000 107.868 > 2 16 Ag 0.25000000000000 0.62500000000000 0.75000000000000 107.868 > 2 *17 Pb 0.89651198064265 0.38397934520236 0.46531655895553 207.200 > 3 18 Pb 0.89651198064265 0.88397934520236 0.46531655895553 207.200 > 3 19 Pb 0.89651198064265 0.38397934520236 0.96531655895553 207.200 > 3 20 Pb 0.89651198064265 0.88397934520236 0.96531655895553 207.200 > 3 21 Pb 0.60348801935735 0.36602065479764 0.03468344104447 207.200 > 4 22 Pb 0.60348801935735 0.86602065479764 0.03468344104447 207.200 > 4 23 Pb 0.60348801935735 0.36602065479764 0.53468344104447 207.200 > 4 24 Pb 0.60348801935735 0.86602065479764 0.53468344104447 207.200 > 4 25 Pb 0.89651198064265 0.11602065479764 0.21531655895553 207.200 > 5 26 Pb 0.89651198064265 0.61602065479764 0.21531655895553 207.200 > 5 27 Pb 0.89651198064265 0.11602065479764 0.71531655895553 207.200 > 5 28 Pb 0.89651198064265 0.61602065479764 0.71531655895553 207.200 > 5 29 Pb 0.60348801935735 0.13397934520236 0.28468344104447 207.200 > 6 30 Pb 0.60348801935735 0.63397934520236 0.28468344104447 207.200 > 6 31 Pb 0.60348801935735 0.13397934520236 0.78468344104447 207.200 > 6 32 Pb 0.60348801935735 0.63397934520236 0.78468344104447 207.200 > 6 33 Pb 0.39651198064265 0.13397934520236 0.46531655895553 207.200 > 3 34 Pb 0.39651198064265 0.63397934520236 0.46531655895553 207.200 > 3 35 Pb 0.39651198064265 0.13397934520236 0.96531655895553 207.200 > 3 36 Pb 0.39651198064265 0.63397934520236 0.96531655895553 207.200 > 3 37 Pb 0.10348801935735 0.11602065479764 0.03468344104447 207.200 > 4 38 Pb 0.10348801935735 0.61602065479764 0.03468344104447 207.200 > 4 39 Pb 0.10348801935735 0.11602065479764 0.53468344104447 207.200 > 4 40 Pb 0.10348801935735 0.61602065479764 0.53468344104447 207.200 > 4 41 Pb 0.39651198064265 0.36602065479764 0.21531655895553 207.200 > 5 42 Pb 0.39651198064265 0.86602065479764 0.21531655895553 207.200 > 5 43 Pb 0.39651198064265 0.36602065479764 0.71531655895553 207.200 > 5 44 Pb 0.39651198064265 0.86602065479764 0.71531655895553 207.200 > 5 45 Pb 0.10348801935735 0.38397934520236 0.28468344104447 207.200 > 6 46 Pb 0.10348801935735 0.88397934520236 0.28468344104447 207.200 > 6 47 Pb 0.10348801935735 0.38397934520236 0.78468344104447 207.200 > 6 48 Pb 0.10348801935735 0.88397934520236 0.78468344104447 207.200 > 6 *49 Br 0.77795729713234 0.45860961137840 0.09112626153555 79.904 > 7 50 Br 0.77795729713234 0.95860961137840 0.09112626153555 79.904 > 7 51 Br 0.77795729713234 0.45860961137840 0.59112626153555 79.904 > 7 52 Br 0.77795729713234 0.95860961137840 0.59112626153555 79.904 > 7 *53 Br 0.00000000000000 0.46418275542998 0.12500000000000 79.904 > 8 54 Br 0.00000000000000 0.96418275542998 0.12500000000000 79.904 > 8 55 Br 0.00000000000000 0.46418275542998 0.62500000000000 79.904 > 8 56 Br 0.00000000000000 0.96418275542998 0.62500000000000 79.904 > 8 57 Br 0.72204270286766 0.29139038862160 0.40887373846445 79.904 > 9 58 Br 0.72204270286766 0.79139038862160 0.40887373846445 79.904 > 9 59 Br 0.72204270286766 0.29139038862160 0.90887373846445 79.904 > 9 60 Br 0.72204270286766 0.79139038862160 0.90887373846445 79.904 > 9 *61 Br 0.58637599008817 0.43877107181997 0.21316404459948 79.904 > 10 62 Br 0.58637599008817 0.93877107181997 0.21316404459948 79.904 > 10 63 Br 0.58637599008817 0.43877107181997 0.71316404459948 79.904 > 10 64 Br 0.58637599008817 0.93877107181997 0.71316404459948 79.904 > 10 65 Br 0.58637599008817 0.06122892818003 0.46316404459948 79.904 > 11 66 Br 0.58637599008817 0.56122892818003 0.46316404459948 79.904 > 11 67 Br 0.58637599008817 0.06122892818003 0.96316404459948 79.904 > 11 68 Br 0.58637599008817 0.56122892818003 0.96316404459948 79.904 > 11 69 Br 0.91362400991183 0.31122892818003 0.28683595540052 79.904 > 12 70 Br 0.91362400991183 0.81122892818003 0.28683595540052 79.904 > 12 71 Br 0.91362400991183 0.31122892818003 0.78683595540052 79.904 > 12 72 Br 0.91362400991183 0.81122892818003 0.78683595540052 79.904 > 12 73 Br 0.91362400991183 0.18877107181997 0.03683595540052 79.904 > 13 74 Br 0.91362400991183 0.68877107181997 0.03683595540052 79.904 > 13 75 Br 0.91362400991183 0.18877107181997 0.53683595540052 79.904 > 13 76 Br 0.91362400991183 0.68877107181997 0.53683595540052 79.904 > 13 77 Br 0.72204270286766 0.20860961137840 0.15887373846445 79.904 > 14 78 Br 0.72204270286766 0.70860961137840 0.15887373846445 79.904 > 14 79 Br 0.72204270286766 0.20860961137840 0.65887373846445 79.904 > 14 80 Br 0.72204270286766 0.70860961137840 0.65887373846445 79.904 > 14 81 Br 0.77795729713234 0.04139038862160 0.34112626153555 79.904 > 15 82 Br 0.77795729713234 0.54139038862160 0.34112626153555 79.904 > 15 83 Br 0.77795729713234 0.04139038862160 0.84112626153555 79.904 > 15 84 Br 0.77795729713234 0.54139038862160 0.84112626153555 79.904 > 15 85 Br 0.00000000000000 0.03581724457002 0.37500000000000 79.904 > 16 86 Br 0.00000000000000 0.53581724457002 0.37500000000000 79.904 > 16 87 Br 0.00000000000000 0.03581724457002 0.87500000000000 79.904 > 16 88 Br 0.00000000000000 0.53581724457002 0.87500000000000 79.904 > 16 89 Br 0.27795729713234 0.20860961137840 0.09112626153555 79.904 > 7 90 Br 0.27795729713234 0.70860961137840 0.09112626153555 79.904 > 7 91 Br 0.27795729713234 0.20860961137840 0.59112626153555 79.904 > 7 92 Br 0.27795729713234 0.70860961137840 0.59112626153555 79.904 > 7 93 Br 0.50000000000000 0.21418275542998 0.12500000000000 79.904 > 8 94 Br 0.50000000000000 0.71418275542998 0.12500000000000 79.904 > 8 95 Br 0.50000000000000 0.21418275542998 0.62500000000000 79.904 > 8 96 Br 0.50000000000000 0.71418275542998 0.62500000000000 79.904 > 8 97 Br 0.22204270286766 0.04139038862160 0.40887373846445 79.904 > 9 98 Br 0.22204270286766 0.54139038862160 0.40887373846445 79.904 > 9 99 Br 0.22204270286766 0.04139038862160 0.90887373846445 79.904 > 9 100 Br 0.22204270286766 0.54139038862160 0.90887373846445 79.904 > 9 101 Br 0.08637599008817 0.18877107181997 0.21316404459948 79.904 > 10 102 Br 0.08637599008817 0.68877107181997 0.21316404459948 79.904 > 10 103 Br 0.08637599008817 0.18877107181997 0.71316404459948 79.904 > 10 104 Br 0.08637599008817 0.68877107181997 0.71316404459948 79.904 > 10 105 Br 0.08637599008817 0.31122892818003 0.46316404459948 79.904 > 11 106 Br 0.08637599008817 0.81122892818003 0.46316404459948 79.904 > 11 107 Br 0.08637599008817 0.31122892818003 0.96316404459948 79.904 > 11 108 Br 0.08637599008817 0.81122892818003 0.96316404459948 79.904 > 11 109 Br 0.41362400991183 0.06122892818003 0.28683595540052 79.904 > 12 110 Br 0.41362400991183 0.56122892818003 0.28683595540052 79.904 > 12 111 Br 0.41362400991183 0.06122892818003 0.78683595540052 79.904 > 12 112 Br 0.41362400991183 0.56122892818003 0.78683595540052 79.904 > 12 113 Br 0.41362400991183 0.43877107181997 0.03683595540052 79.904 > 13 114 Br 0.41362400991183 0.93877107181997 0.03683595540052 79.904 > 13 115 Br 0.41362400991183 0.43877107181997 0.53683595540052 79.904 > 13 116 Br 0.41362400991183 0.93877107181997 0.53683595540052 79.904 > 13 117 Br 0.22204270286766 0.45860961137840 0.15887373846445 79.904 > 14 118 Br 0.22204270286766 0.95860961137840 0.15887373846445 79.904 > 14 119 Br 0.22204270286766 0.45860961137840 0.65887373846445 79.904 > 14 120 Br 0.22204270286766 0.95860961137840 0.65887373846445 79.904 > 14 121 Br 0.27795729713234 0.29139038862160 0.34112626153555 79.904 > 15 122 Br 0.27795729713234 0.79139038862160 0.34112626153555 79.904 > 15 123 Br 0.27795729713234 0.29139038862160 0.84112626153555 79.904 > 15 124 Br 0.27795729713234 0.79139038862160 0.84112626153555 79.904 > 15 125 Br 0.50000000000000 0.28581724457002 0.37500000000000 79.904 > 16 126 Br 0.50000000000000 0.78581724457002 0.37500000000000 79.904 > 16 127 Br 0.50000000000000 0.28581724457002 0.87500000000000 79.904 > 16 128 Br 0.50000000000000 0.78581724457002 0.87500000000000 79.904 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.8834554 0.0000000 -0.1196315 0.0000000 6.2443649 0.0000000 -0.1196244 0.0000000 6.6587743 -------------------------- Born effective charges -------------------------- 1 Ag 1.4654809 0.0852281 0.0158786 0.1187001 1.5410442 -0.0228557 0.0349354 0.0133450 1.5054739 2 Ag 1.4654809 -0.0852281 0.0158786 -0.1187001 1.5410442 0.0228557 0.0349354 -0.0133450 1.5054739 3 Pb 4.1095650 0.0669003 -0.1492713 0.1215001 3.6509904 0.3900552 -0.1610664 -0.1579979 4.0765789 4 Pb 4.1095650 0.0669003 -0.1492713 0.1215001 3.6509904 0.3900552 -0.1610664 -0.1579979 4.0765789 5 Pb 4.1095650 -0.0669003 -0.1492713 -0.1215001 3.6509904 -0.3900552 -0.1610664 0.1579979 4.0765789 6 Pb 4.1095650 -0.0669003 -0.1492713 -0.1215001 3.6509904 -0.3900552 -0.1610664 0.1579979 4.0765789 7 Br -2.2539155 -0.3353070 0.1338508 -0.3584500 -1.5524563 -0.4342974 0.1268514 -0.4124602 -1.7462719 8 Br -1.7398601 0.0000000 -0.3797645 0.0000000 -1.7933309 0.0000000 -0.3292665 0.0000000 -2.5391572 9 Br -2.2539155 -0.3353070 0.1338508 -0.3584500 -1.5524563 -0.4342974 0.1268514 -0.4124602 -1.7462719 10 Br -1.7184598 -0.0877647 0.1973635 -0.0597862 -1.9723907 -0.8610940 0.1813805 -1.0439870 -1.8134653 11 Br -1.7184598 0.0877647 0.1973635 0.0597862 -1.9723907 0.8610940 0.1813805 1.0439870 -1.8134653 12 Br -1.7184598 -0.0877647 0.1973635 -0.0597862 -1.9723907 -0.8610940 0.1813805 -1.0439870 -1.8134653 13 Br -1.7184598 0.0877647 0.1973635 0.0597862 -1.9723907 0.8610940 0.1813805 1.0439870 -1.8134653 14 Br -2.2539155 0.3353070 0.1338508 0.3584500 -1.5524563 0.4342974 0.1268514 0.4124602 -1.7462719 15 Br -2.2539155 0.3353070 0.1338508 0.3584500 -1.5524563 0.4342974 0.1268514 0.4124602 -1.7462719 16 Br -1.7398601 0.0000000 -0.3797645 0.0000000 -1.7933309 0.0000000 -0.3292665 0.0000000 -2.5391572 ---------------------------------------------------------------------------- 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: 384/384 Permutation basis: 11568/11568 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2411 Number of blocks in projector: 2411 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: 518 Use submatrix version of eigh solver. (1) Block: 518 / 518 (2) Block: 250 / 518 (2) 241 eigenvectors found. (2) Block: 518 / 518 (2) 261 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 509 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 510 Use submatrix version of eigh solver. (1) Block: 510 / 510 (2) Block: 250 / 510 (2) 242 eigenvectors found. (2) Block: 510 / 510 (2) 253 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 502 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 510 Use submatrix version of eigh solver. (1) Block: 510 / 510 (2) Block: 250 / 510 (2) 242 eigenvectors found. (2) Block: 510 / 510 (2) 253 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 502 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 291 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 291 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 291 Use standard eigh solver. Tree of FC basis block matrices: - (2411, 2371), data: False |-- (291, 286), data: True |-- (291, 286), data: True |-- (291, 286), data: True |-- (510, 502), data: False |-- (510, 502), data: False |-- (510, 7), data: (510, 15) @ (15, 7) |-- (260, 253), data: True |-- (250, 242), data: True |-- (510, 502), data: False |-- (510, 502), data: False |-- (510, 7), data: (510, 15) @ (15, 7) |-- (260, 253), data: True |-- (250, 242), data: True |-- (518, 509), data: False |-- (518, 509), data: False |-- (518, 7), data: (518, 16) @ (16, 7) |-- (268, 261), data: True |-- (250, 241), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 480 - Time: 0.899 Solver_block: 200 / 480 - Time: 0.876 Solver_block: 300 / 480 - Time: 0.867 Solver_block: 400 / 480 - Time: 0.856 Solver_block: 480 / 480 - Time: 0.702 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.292 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zx) 0.00000000 (zx) Permutation basis: 384/384 Permutation basis: 11568/11568 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2411 Number of blocks in projector: 2411 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: 518 Use submatrix version of eigh solver. (1) Block: 518 / 518 (2) Block: 250 / 518 (2) 241 eigenvectors found. (2) Block: 518 / 518 (2) 261 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 509 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 510 Use submatrix version of eigh solver. (1) Block: 510 / 510 (2) Block: 250 / 510 (2) 242 eigenvectors found. (2) Block: 510 / 510 (2) 253 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 502 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 510 Use submatrix version of eigh solver. (1) Block: 510 / 510 (2) Block: 250 / 510 (2) 242 eigenvectors found. (2) Block: 510 / 510 (2) 253 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 502 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 291 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 291 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 291 Use standard eigh solver. Tree of FC basis block matrices: - (2411, 2371), data: False |-- (291, 286), data: True |-- (291, 286), data: True |-- (291, 286), data: True |-- (510, 502), data: False |-- (510, 502), data: False |-- (510, 7), data: (510, 15) @ (15, 7) |-- (260, 253), data: True |-- (250, 242), data: True |-- (510, 502), data: False |-- (510, 502), data: False |-- (510, 7), data: (510, 15) @ (15, 7) |-- (260, 253), data: True |-- (250, 242), data: True |-- (518, 509), data: False |-- (518, 509), data: False |-- (518, 7), data: (518, 16) @ (16, 7) |-- (268, 261), data: True |-- (250, 241), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zx) 0.00000000 (zx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 20:23:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 20:23:17]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.138972573503088 -3.524267915000000 0.000000000000000 b 8.138972573503088 3.524267915000000 0.000000000000000 c -0.843042008823613 0.000000000000000 7.856643127979786 Atomic positions (fractional): 1 Ag 0.50000000000000 0.00000000000000 0.00000000000000 107.868 2 Ag 0.00000000000000 0.50000000000000 0.50000000000000 107.868 3 Pb 0.12855329023792 0.66447067104737 0.93063311791107 207.200 4 Pb 0.87144670976208 0.33552932895263 0.06936688208893 207.200 5 Pb 0.66447067104737 0.12855329023792 0.43063311791107 207.200 6 Pb 0.33552932895263 0.87144670976208 0.56936688208893 207.200 7 Br 0.86073807437553 0.69517651988914 0.18225252307110 79.904 8 Br 0.07163448914003 0.92836551085997 0.25000000000000 79.904 9 Br 0.13926192562447 0.30482348011086 0.81774747692890 79.904 10 Br 0.70883384644823 0.46391813372811 0.42632808919897 79.904 11 Br 0.46391813372811 0.70883384644823 0.92632808919897 79.904 12 Br 0.29116615355177 0.53608186627189 0.57367191080103 79.904 13 Br 0.53608186627189 0.29116615355177 0.07367191080103 79.904 14 Br 0.30482348011086 0.13926192562447 0.31774747692890 79.904 15 Br 0.69517651988914 0.86073807437553 0.68225252307110 79.904 16 Br 0.92836551085997 0.07163448914003 0.75000000000000 79.904 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.277945147006175 0.000000000000000 0.000000000000000 b 0.000000000000000 14.097071659999999 0.000000000000000 c -1.686084017647226 0.000000000000000 15.713286255959572 Atomic positions (fractional): 1 Ag 0.75000000000000 0.12500000000000 0.00000000000000 107.868 > 1 2 Ag 0.75000000000000 0.62500000000000 0.00000000000000 107.868 > 1 3 Ag 0.75000000000000 0.12500000000000 0.50000000000000 107.868 > 1 4 Ag 0.75000000000000 0.62500000000000 0.50000000000000 107.868 > 1 5 Ag 0.75000000000000 0.37500000000000 0.25000000000000 107.868 > 5 6 Ag 0.75000000000000 0.87500000000000 0.25000000000000 107.868 > 5 7 Ag 0.75000000000000 0.37500000000000 0.75000000000000 107.868 > 5 8 Ag 0.75000000000000 0.87500000000000 0.75000000000000 107.868 > 5 9 Ag 0.25000000000000 0.37500000000000 0.00000000000000 107.868 > 1 10 Ag 0.25000000000000 0.87500000000000 0.00000000000000 107.868 > 1 11 Ag 0.25000000000000 0.37500000000000 0.50000000000000 107.868 > 1 12 Ag 0.25000000000000 0.87500000000000 0.50000000000000 107.868 > 1 13 Ag 0.25000000000000 0.12500000000000 0.25000000000000 107.868 > 5 14 Ag 0.25000000000000 0.62500000000000 0.25000000000000 107.868 > 5 15 Ag 0.25000000000000 0.12500000000000 0.75000000000000 107.868 > 5 16 Ag 0.25000000000000 0.62500000000000 0.75000000000000 107.868 > 5 17 Pb 0.89651198064265 0.38397934520236 0.46531655895553 207.200 > 17 18 Pb 0.89651198064265 0.88397934520236 0.46531655895553 207.200 > 17 19 Pb 0.89651198064265 0.38397934520236 0.96531655895553 207.200 > 17 20 Pb 0.89651198064265 0.88397934520236 0.96531655895553 207.200 > 17 21 Pb 0.60348801935735 0.36602065479764 0.03468344104447 207.200 > 21 22 Pb 0.60348801935735 0.86602065479764 0.03468344104447 207.200 > 21 23 Pb 0.60348801935735 0.36602065479764 0.53468344104447 207.200 > 21 24 Pb 0.60348801935735 0.86602065479764 0.53468344104447 207.200 > 21 25 Pb 0.89651198064265 0.11602065479764 0.21531655895553 207.200 > 25 26 Pb 0.89651198064265 0.61602065479764 0.21531655895553 207.200 > 25 27 Pb 0.89651198064265 0.11602065479764 0.71531655895553 207.200 > 25 28 Pb 0.89651198064265 0.61602065479764 0.71531655895553 207.200 > 25 29 Pb 0.60348801935735 0.13397934520236 0.28468344104447 207.200 > 29 30 Pb 0.60348801935735 0.63397934520236 0.28468344104447 207.200 > 29 31 Pb 0.60348801935735 0.13397934520236 0.78468344104447 207.200 > 29 32 Pb 0.60348801935735 0.63397934520236 0.78468344104447 207.200 > 29 33 Pb 0.39651198064265 0.13397934520236 0.46531655895553 207.200 > 17 34 Pb 0.39651198064265 0.63397934520236 0.46531655895553 207.200 > 17 35 Pb 0.39651198064265 0.13397934520236 0.96531655895553 207.200 > 17 36 Pb 0.39651198064265 0.63397934520236 0.96531655895553 207.200 > 17 37 Pb 0.10348801935735 0.11602065479764 0.03468344104447 207.200 > 21 38 Pb 0.10348801935735 0.61602065479764 0.03468344104447 207.200 > 21 39 Pb 0.10348801935735 0.11602065479764 0.53468344104447 207.200 > 21 40 Pb 0.10348801935735 0.61602065479764 0.53468344104447 207.200 > 21 41 Pb 0.39651198064265 0.36602065479764 0.21531655895553 207.200 > 25 42 Pb 0.39651198064265 0.86602065479764 0.21531655895553 207.200 > 25 43 Pb 0.39651198064265 0.36602065479764 0.71531655895553 207.200 > 25 44 Pb 0.39651198064265 0.86602065479764 0.71531655895553 207.200 > 25 45 Pb 0.10348801935735 0.38397934520236 0.28468344104447 207.200 > 29 46 Pb 0.10348801935735 0.88397934520236 0.28468344104447 207.200 > 29 47 Pb 0.10348801935735 0.38397934520236 0.78468344104447 207.200 > 29 48 Pb 0.10348801935735 0.88397934520236 0.78468344104447 207.200 > 29 49 Br 0.77795729713234 0.45860961137840 0.09112626153555 79.904 > 49 50 Br 0.77795729713234 0.95860961137840 0.09112626153555 79.904 > 49 51 Br 0.77795729713234 0.45860961137840 0.59112626153555 79.904 > 49 52 Br 0.77795729713234 0.95860961137840 0.59112626153555 79.904 > 49 53 Br 0.00000000000000 0.46418275542998 0.12500000000000 79.904 > 53 54 Br 0.00000000000000 0.96418275542998 0.12500000000000 79.904 > 53 55 Br 0.00000000000000 0.46418275542998 0.62500000000000 79.904 > 53 56 Br 0.00000000000000 0.96418275542998 0.62500000000000 79.904 > 53 57 Br 0.72204270286766 0.29139038862160 0.40887373846445 79.904 > 57 58 Br 0.72204270286766 0.79139038862160 0.40887373846445 79.904 > 57 59 Br 0.72204270286766 0.29139038862160 0.90887373846445 79.904 > 57 60 Br 0.72204270286766 0.79139038862160 0.90887373846445 79.904 > 57 61 Br 0.58637599008817 0.43877107181997 0.21316404459948 79.904 > 61 62 Br 0.58637599008817 0.93877107181997 0.21316404459948 79.904 > 61 63 Br 0.58637599008817 0.43877107181997 0.71316404459948 79.904 > 61 64 Br 0.58637599008817 0.93877107181997 0.71316404459948 79.904 > 61 65 Br 0.58637599008817 0.06122892818003 0.46316404459948 79.904 > 65 66 Br 0.58637599008817 0.56122892818003 0.46316404459948 79.904 > 65 67 Br 0.58637599008817 0.06122892818003 0.96316404459948 79.904 > 65 68 Br 0.58637599008817 0.56122892818003 0.96316404459948 79.904 > 65 69 Br 0.91362400991183 0.31122892818003 0.28683595540052 79.904 > 69 70 Br 0.91362400991183 0.81122892818003 0.28683595540052 79.904 > 69 71 Br 0.91362400991183 0.31122892818003 0.78683595540052 79.904 > 69 72 Br 0.91362400991183 0.81122892818003 0.78683595540052 79.904 > 69 73 Br 0.91362400991183 0.18877107181997 0.03683595540052 79.904 > 73 74 Br 0.91362400991183 0.68877107181997 0.03683595540052 79.904 > 73 75 Br 0.91362400991183 0.18877107181997 0.53683595540052 79.904 > 73 76 Br 0.91362400991183 0.68877107181997 0.53683595540052 79.904 > 73 77 Br 0.72204270286766 0.20860961137840 0.15887373846445 79.904 > 77 78 Br 0.72204270286766 0.70860961137840 0.15887373846445 79.904 > 77 79 Br 0.72204270286766 0.20860961137840 0.65887373846445 79.904 > 77 80 Br 0.72204270286766 0.70860961137840 0.65887373846445 79.904 > 77 81 Br 0.77795729713234 0.04139038862160 0.34112626153555 79.904 > 81 82 Br 0.77795729713234 0.54139038862160 0.34112626153555 79.904 > 81 83 Br 0.77795729713234 0.04139038862160 0.84112626153555 79.904 > 81 84 Br 0.77795729713234 0.54139038862160 0.84112626153555 79.904 > 81 85 Br 0.00000000000000 0.03581724457002 0.37500000000000 79.904 > 85 86 Br 0.00000000000000 0.53581724457002 0.37500000000000 79.904 > 85 87 Br 0.00000000000000 0.03581724457002 0.87500000000000 79.904 > 85 88 Br 0.00000000000000 0.53581724457002 0.87500000000000 79.904 > 85 89 Br 0.27795729713234 0.20860961137840 0.09112626153555 79.904 > 49 90 Br 0.27795729713234 0.70860961137840 0.09112626153555 79.904 > 49 91 Br 0.27795729713234 0.20860961137840 0.59112626153555 79.904 > 49 92 Br 0.27795729713234 0.70860961137840 0.59112626153555 79.904 > 49 93 Br 0.50000000000000 0.21418275542998 0.12500000000000 79.904 > 53 94 Br 0.50000000000000 0.71418275542998 0.12500000000000 79.904 > 53 95 Br 0.50000000000000 0.21418275542998 0.62500000000000 79.904 > 53 96 Br 0.50000000000000 0.71418275542998 0.62500000000000 79.904 > 53 97 Br 0.22204270286766 0.04139038862160 0.40887373846445 79.904 > 57 98 Br 0.22204270286766 0.54139038862160 0.40887373846445 79.904 > 57 99 Br 0.22204270286766 0.04139038862160 0.90887373846445 79.904 > 57 100 Br 0.22204270286766 0.54139038862160 0.90887373846445 79.904 > 57 101 Br 0.08637599008817 0.18877107181997 0.21316404459948 79.904 > 61 102 Br 0.08637599008817 0.68877107181997 0.21316404459948 79.904 > 61 103 Br 0.08637599008817 0.18877107181997 0.71316404459948 79.904 > 61 104 Br 0.08637599008817 0.68877107181997 0.71316404459948 79.904 > 61 105 Br 0.08637599008817 0.31122892818003 0.46316404459948 79.904 > 65 106 Br 0.08637599008817 0.81122892818003 0.46316404459948 79.904 > 65 107 Br 0.08637599008817 0.31122892818003 0.96316404459948 79.904 > 65 108 Br 0.08637599008817 0.81122892818003 0.96316404459948 79.904 > 65 109 Br 0.41362400991183 0.06122892818003 0.28683595540052 79.904 > 69 110 Br 0.41362400991183 0.56122892818003 0.28683595540052 79.904 > 69 111 Br 0.41362400991183 0.06122892818003 0.78683595540052 79.904 > 69 112 Br 0.41362400991183 0.56122892818003 0.78683595540052 79.904 > 69 113 Br 0.41362400991183 0.43877107181997 0.03683595540052 79.904 > 73 114 Br 0.41362400991183 0.93877107181997 0.03683595540052 79.904 > 73 115 Br 0.41362400991183 0.43877107181997 0.53683595540052 79.904 > 73 116 Br 0.41362400991183 0.93877107181997 0.53683595540052 79.904 > 73 117 Br 0.22204270286766 0.45860961137840 0.15887373846445 79.904 > 77 118 Br 0.22204270286766 0.95860961137840 0.15887373846445 79.904 > 77 119 Br 0.22204270286766 0.45860961137840 0.65887373846445 79.904 > 77 120 Br 0.22204270286766 0.95860961137840 0.65887373846445 79.904 > 77 121 Br 0.27795729713234 0.29139038862160 0.34112626153555 79.904 > 81 122 Br 0.27795729713234 0.79139038862160 0.34112626153555 79.904 > 81 123 Br 0.27795729713234 0.29139038862160 0.84112626153555 79.904 > 81 124 Br 0.27795729713234 0.79139038862160 0.84112626153555 79.904 > 81 125 Br 0.50000000000000 0.28581724457002 0.37500000000000 79.904 > 85 126 Br 0.50000000000000 0.78581724457002 0.37500000000000 79.904 > 85 127 Br 0.50000000000000 0.28581724457002 0.87500000000000 79.904 > 85 128 Br 0.50000000000000 0.78581724457002 0.87500000000000 79.904 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.8834554 0.0000000 -0.1196315 0.0000000 6.2443649 0.0000000 -0.1196244 0.0000000 6.6587743 -------------------------- Born effective charges -------------------------- 1 Ag 1.4654809 0.0852281 0.0158786 0.1187001 1.5410442 -0.0228557 0.0349354 0.0133450 1.5054739 2 Ag 1.4654809 -0.0852281 0.0158786 -0.1187001 1.5410442 0.0228557 0.0349354 -0.0133450 1.5054739 3 Pb 4.1095650 0.0669003 -0.1492713 0.1215001 3.6509904 0.3900552 -0.1610664 -0.1579979 4.0765789 4 Pb 4.1095650 0.0669003 -0.1492713 0.1215001 3.6509904 0.3900552 -0.1610664 -0.1579979 4.0765789 5 Pb 4.1095650 -0.0669003 -0.1492713 -0.1215001 3.6509904 -0.3900552 -0.1610664 0.1579979 4.0765789 6 Pb 4.1095650 -0.0669003 -0.1492713 -0.1215001 3.6509904 -0.3900552 -0.1610664 0.1579979 4.0765789 7 Br -2.2539155 -0.3353070 0.1338508 -0.3584500 -1.5524563 -0.4342974 0.1268514 -0.4124602 -1.7462719 8 Br -1.7398601 0.0000000 -0.3797645 0.0000000 -1.7933309 0.0000000 -0.3292665 0.0000000 -2.5391572 9 Br -2.2539155 -0.3353070 0.1338508 -0.3584500 -1.5524563 -0.4342974 0.1268514 -0.4124602 -1.7462719 10 Br -1.7184598 -0.0877647 0.1973635 -0.0597862 -1.9723907 -0.8610940 0.1813805 -1.0439870 -1.8134653 11 Br -1.7184598 0.0877647 0.1973635 0.0597862 -1.9723907 0.8610940 0.1813805 1.0439870 -1.8134653 12 Br -1.7184598 -0.0877647 0.1973635 -0.0597862 -1.9723907 -0.8610940 0.1813805 -1.0439870 -1.8134653 13 Br -1.7184598 0.0877647 0.1973635 0.0597862 -1.9723907 0.8610940 0.1813805 1.0439870 -1.8134653 14 Br -2.2539155 0.3353070 0.1338508 0.3584500 -1.5524563 0.4342974 0.1268514 0.4124602 -1.7462719 15 Br -2.2539155 0.3353070 0.1338508 0.3584500 -1.5524563 0.4342974 0.1268514 0.4124602 -1.7462719 16 Br -1.7398601 0.0000000 -0.3797645 0.0000000 -1.7933309 0.0000000 -0.3292665 0.0000000 -2.5391572 ---------------------------------------------------------------------------- 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] [-0.0011 0.0000 0.0099] [ 0.0011 0.0000 -0.0099] 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] [-0.0011 0.0000 0.0099] [ 0.0011 0.0000 -0.0099] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0011 0.0000 0.0099] [ 0.0011 0.0000 -0.0099] Computing fc3[ 53, 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] [-0.0011 0.0000 0.0099] [ 0.0011 0.0000 -0.0099] Computing fc3[ 61, 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] [-0.0011 0.0000 0.0099] [ 0.0011 0.0000 -0.0099] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (xy) 0.00000001 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 20:23:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 20:23:44]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.138972573503088 -3.524267915000000 0.000000000000000 b 8.138972573503088 3.524267915000000 0.000000000000000 c -0.843042008823613 0.000000000000000 7.856643127979786 Atomic positions (fractional): 1 Ag 0.50000000000000 0.00000000000000 0.00000000000000 107.868 2 Ag 0.00000000000000 0.50000000000000 0.50000000000000 107.868 3 Pb 0.12855329023792 0.66447067104737 0.93063311791107 207.200 4 Pb 0.87144670976208 0.33552932895263 0.06936688208893 207.200 5 Pb 0.66447067104737 0.12855329023792 0.43063311791107 207.200 6 Pb 0.33552932895263 0.87144670976208 0.56936688208893 207.200 7 Br 0.86073807437553 0.69517651988914 0.18225252307110 79.904 8 Br 0.07163448914003 0.92836551085997 0.25000000000000 79.904 9 Br 0.13926192562447 0.30482348011086 0.81774747692890 79.904 10 Br 0.70883384644823 0.46391813372811 0.42632808919897 79.904 11 Br 0.46391813372811 0.70883384644823 0.92632808919897 79.904 12 Br 0.29116615355177 0.53608186627189 0.57367191080103 79.904 13 Br 0.53608186627189 0.29116615355177 0.07367191080103 79.904 14 Br 0.30482348011086 0.13926192562447 0.31774747692890 79.904 15 Br 0.69517651988914 0.86073807437553 0.68225252307110 79.904 16 Br 0.92836551085997 0.07163448914003 0.75000000000000 79.904 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.277945147006175 0.000000000000000 0.000000000000000 b 0.000000000000000 14.097071659999999 0.000000000000000 c -1.686084017647226 0.000000000000000 15.713286255959572 Atomic positions (fractional): 1 Ag 0.75000000000000 0.12500000000000 0.00000000000000 107.868 > 1 2 Ag 0.75000000000000 0.62500000000000 0.00000000000000 107.868 > 1 3 Ag 0.75000000000000 0.12500000000000 0.50000000000000 107.868 > 1 4 Ag 0.75000000000000 0.62500000000000 0.50000000000000 107.868 > 1 5 Ag 0.75000000000000 0.37500000000000 0.25000000000000 107.868 > 5 6 Ag 0.75000000000000 0.87500000000000 0.25000000000000 107.868 > 5 7 Ag 0.75000000000000 0.37500000000000 0.75000000000000 107.868 > 5 8 Ag 0.75000000000000 0.87500000000000 0.75000000000000 107.868 > 5 9 Ag 0.25000000000000 0.37500000000000 0.00000000000000 107.868 > 1 10 Ag 0.25000000000000 0.87500000000000 0.00000000000000 107.868 > 1 11 Ag 0.25000000000000 0.37500000000000 0.50000000000000 107.868 > 1 12 Ag 0.25000000000000 0.87500000000000 0.50000000000000 107.868 > 1 13 Ag 0.25000000000000 0.12500000000000 0.25000000000000 107.868 > 5 14 Ag 0.25000000000000 0.62500000000000 0.25000000000000 107.868 > 5 15 Ag 0.25000000000000 0.12500000000000 0.75000000000000 107.868 > 5 16 Ag 0.25000000000000 0.62500000000000 0.75000000000000 107.868 > 5 17 Pb 0.89651198064265 0.38397934520236 0.46531655895553 207.200 > 17 18 Pb 0.89651198064265 0.88397934520236 0.46531655895553 207.200 > 17 19 Pb 0.89651198064265 0.38397934520236 0.96531655895553 207.200 > 17 20 Pb 0.89651198064265 0.88397934520236 0.96531655895553 207.200 > 17 21 Pb 0.60348801935735 0.36602065479764 0.03468344104447 207.200 > 21 22 Pb 0.60348801935735 0.86602065479764 0.03468344104447 207.200 > 21 23 Pb 0.60348801935735 0.36602065479764 0.53468344104447 207.200 > 21 24 Pb 0.60348801935735 0.86602065479764 0.53468344104447 207.200 > 21 25 Pb 0.89651198064265 0.11602065479764 0.21531655895553 207.200 > 25 26 Pb 0.89651198064265 0.61602065479764 0.21531655895553 207.200 > 25 27 Pb 0.89651198064265 0.11602065479764 0.71531655895553 207.200 > 25 28 Pb 0.89651198064265 0.61602065479764 0.71531655895553 207.200 > 25 29 Pb 0.60348801935735 0.13397934520236 0.28468344104447 207.200 > 29 30 Pb 0.60348801935735 0.63397934520236 0.28468344104447 207.200 > 29 31 Pb 0.60348801935735 0.13397934520236 0.78468344104447 207.200 > 29 32 Pb 0.60348801935735 0.63397934520236 0.78468344104447 207.200 > 29 33 Pb 0.39651198064265 0.13397934520236 0.46531655895553 207.200 > 17 34 Pb 0.39651198064265 0.63397934520236 0.46531655895553 207.200 > 17 35 Pb 0.39651198064265 0.13397934520236 0.96531655895553 207.200 > 17 36 Pb 0.39651198064265 0.63397934520236 0.96531655895553 207.200 > 17 37 Pb 0.10348801935735 0.11602065479764 0.03468344104447 207.200 > 21 38 Pb 0.10348801935735 0.61602065479764 0.03468344104447 207.200 > 21 39 Pb 0.10348801935735 0.11602065479764 0.53468344104447 207.200 > 21 40 Pb 0.10348801935735 0.61602065479764 0.53468344104447 207.200 > 21 41 Pb 0.39651198064265 0.36602065479764 0.21531655895553 207.200 > 25 42 Pb 0.39651198064265 0.86602065479764 0.21531655895553 207.200 > 25 43 Pb 0.39651198064265 0.36602065479764 0.71531655895553 207.200 > 25 44 Pb 0.39651198064265 0.86602065479764 0.71531655895553 207.200 > 25 45 Pb 0.10348801935735 0.38397934520236 0.28468344104447 207.200 > 29 46 Pb 0.10348801935735 0.88397934520236 0.28468344104447 207.200 > 29 47 Pb 0.10348801935735 0.38397934520236 0.78468344104447 207.200 > 29 48 Pb 0.10348801935735 0.88397934520236 0.78468344104447 207.200 > 29 49 Br 0.77795729713234 0.45860961137840 0.09112626153555 79.904 > 49 50 Br 0.77795729713234 0.95860961137840 0.09112626153555 79.904 > 49 51 Br 0.77795729713234 0.45860961137840 0.59112626153555 79.904 > 49 52 Br 0.77795729713234 0.95860961137840 0.59112626153555 79.904 > 49 53 Br 0.00000000000000 0.46418275542998 0.12500000000000 79.904 > 53 54 Br 0.00000000000000 0.96418275542998 0.12500000000000 79.904 > 53 55 Br 0.00000000000000 0.46418275542998 0.62500000000000 79.904 > 53 56 Br 0.00000000000000 0.96418275542998 0.62500000000000 79.904 > 53 57 Br 0.72204270286766 0.29139038862160 0.40887373846445 79.904 > 57 58 Br 0.72204270286766 0.79139038862160 0.40887373846445 79.904 > 57 59 Br 0.72204270286766 0.29139038862160 0.90887373846445 79.904 > 57 60 Br 0.72204270286766 0.79139038862160 0.90887373846445 79.904 > 57 61 Br 0.58637599008817 0.43877107181997 0.21316404459948 79.904 > 61 62 Br 0.58637599008817 0.93877107181997 0.21316404459948 79.904 > 61 63 Br 0.58637599008817 0.43877107181997 0.71316404459948 79.904 > 61 64 Br 0.58637599008817 0.93877107181997 0.71316404459948 79.904 > 61 65 Br 0.58637599008817 0.06122892818003 0.46316404459948 79.904 > 65 66 Br 0.58637599008817 0.56122892818003 0.46316404459948 79.904 > 65 67 Br 0.58637599008817 0.06122892818003 0.96316404459948 79.904 > 65 68 Br 0.58637599008817 0.56122892818003 0.96316404459948 79.904 > 65 69 Br 0.91362400991183 0.31122892818003 0.28683595540052 79.904 > 69 70 Br 0.91362400991183 0.81122892818003 0.28683595540052 79.904 > 69 71 Br 0.91362400991183 0.31122892818003 0.78683595540052 79.904 > 69 72 Br 0.91362400991183 0.81122892818003 0.78683595540052 79.904 > 69 73 Br 0.91362400991183 0.18877107181997 0.03683595540052 79.904 > 73 74 Br 0.91362400991183 0.68877107181997 0.03683595540052 79.904 > 73 75 Br 0.91362400991183 0.18877107181997 0.53683595540052 79.904 > 73 76 Br 0.91362400991183 0.68877107181997 0.53683595540052 79.904 > 73 77 Br 0.72204270286766 0.20860961137840 0.15887373846445 79.904 > 77 78 Br 0.72204270286766 0.70860961137840 0.15887373846445 79.904 > 77 79 Br 0.72204270286766 0.20860961137840 0.65887373846445 79.904 > 77 80 Br 0.72204270286766 0.70860961137840 0.65887373846445 79.904 > 77 81 Br 0.77795729713234 0.04139038862160 0.34112626153555 79.904 > 81 82 Br 0.77795729713234 0.54139038862160 0.34112626153555 79.904 > 81 83 Br 0.77795729713234 0.04139038862160 0.84112626153555 79.904 > 81 84 Br 0.77795729713234 0.54139038862160 0.84112626153555 79.904 > 81 85 Br 0.00000000000000 0.03581724457002 0.37500000000000 79.904 > 85 86 Br 0.00000000000000 0.53581724457002 0.37500000000000 79.904 > 85 87 Br 0.00000000000000 0.03581724457002 0.87500000000000 79.904 > 85 88 Br 0.00000000000000 0.53581724457002 0.87500000000000 79.904 > 85 89 Br 0.27795729713234 0.20860961137840 0.09112626153555 79.904 > 49 90 Br 0.27795729713234 0.70860961137840 0.09112626153555 79.904 > 49 91 Br 0.27795729713234 0.20860961137840 0.59112626153555 79.904 > 49 92 Br 0.27795729713234 0.70860961137840 0.59112626153555 79.904 > 49 93 Br 0.50000000000000 0.21418275542998 0.12500000000000 79.904 > 53 94 Br 0.50000000000000 0.71418275542998 0.12500000000000 79.904 > 53 95 Br 0.50000000000000 0.21418275542998 0.62500000000000 79.904 > 53 96 Br 0.50000000000000 0.71418275542998 0.62500000000000 79.904 > 53 97 Br 0.22204270286766 0.04139038862160 0.40887373846445 79.904 > 57 98 Br 0.22204270286766 0.54139038862160 0.40887373846445 79.904 > 57 99 Br 0.22204270286766 0.04139038862160 0.90887373846445 79.904 > 57 100 Br 0.22204270286766 0.54139038862160 0.90887373846445 79.904 > 57 101 Br 0.08637599008817 0.18877107181997 0.21316404459948 79.904 > 61 102 Br 0.08637599008817 0.68877107181997 0.21316404459948 79.904 > 61 103 Br 0.08637599008817 0.18877107181997 0.71316404459948 79.904 > 61 104 Br 0.08637599008817 0.68877107181997 0.71316404459948 79.904 > 61 105 Br 0.08637599008817 0.31122892818003 0.46316404459948 79.904 > 65 106 Br 0.08637599008817 0.81122892818003 0.46316404459948 79.904 > 65 107 Br 0.08637599008817 0.31122892818003 0.96316404459948 79.904 > 65 108 Br 0.08637599008817 0.81122892818003 0.96316404459948 79.904 > 65 109 Br 0.41362400991183 0.06122892818003 0.28683595540052 79.904 > 69 110 Br 0.41362400991183 0.56122892818003 0.28683595540052 79.904 > 69 111 Br 0.41362400991183 0.06122892818003 0.78683595540052 79.904 > 69 112 Br 0.41362400991183 0.56122892818003 0.78683595540052 79.904 > 69 113 Br 0.41362400991183 0.43877107181997 0.03683595540052 79.904 > 73 114 Br 0.41362400991183 0.93877107181997 0.03683595540052 79.904 > 73 115 Br 0.41362400991183 0.43877107181997 0.53683595540052 79.904 > 73 116 Br 0.41362400991183 0.93877107181997 0.53683595540052 79.904 > 73 117 Br 0.22204270286766 0.45860961137840 0.15887373846445 79.904 > 77 118 Br 0.22204270286766 0.95860961137840 0.15887373846445 79.904 > 77 119 Br 0.22204270286766 0.45860961137840 0.65887373846445 79.904 > 77 120 Br 0.22204270286766 0.95860961137840 0.65887373846445 79.904 > 77 121 Br 0.27795729713234 0.29139038862160 0.34112626153555 79.904 > 81 122 Br 0.27795729713234 0.79139038862160 0.34112626153555 79.904 > 81 123 Br 0.27795729713234 0.29139038862160 0.84112626153555 79.904 > 81 124 Br 0.27795729713234 0.79139038862160 0.84112626153555 79.904 > 81 125 Br 0.50000000000000 0.28581724457002 0.37500000000000 79.904 > 85 126 Br 0.50000000000000 0.78581724457002 0.37500000000000 79.904 > 85 127 Br 0.50000000000000 0.28581724457002 0.87500000000000 79.904 > 85 128 Br 0.50000000000000 0.78581724457002 0.87500000000000 79.904 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.8834554 0.0000000 -0.1196315 0.0000000 6.2443649 0.0000000 -0.1196244 0.0000000 6.6587743 -------------------------- Born effective charges -------------------------- 1 Ag 1.4654809 0.0852281 0.0158786 0.1187001 1.5410442 -0.0228557 0.0349354 0.0133450 1.5054739 2 Ag 1.4654809 -0.0852281 0.0158786 -0.1187001 1.5410442 0.0228557 0.0349354 -0.0133450 1.5054739 3 Pb 4.1095650 0.0669003 -0.1492713 0.1215001 3.6509904 0.3900552 -0.1610664 -0.1579979 4.0765789 4 Pb 4.1095650 0.0669003 -0.1492713 0.1215001 3.6509904 0.3900552 -0.1610664 -0.1579979 4.0765789 5 Pb 4.1095650 -0.0669003 -0.1492713 -0.1215001 3.6509904 -0.3900552 -0.1610664 0.1579979 4.0765789 6 Pb 4.1095650 -0.0669003 -0.1492713 -0.1215001 3.6509904 -0.3900552 -0.1610664 0.1579979 4.0765789 7 Br -2.2539155 -0.3353070 0.1338508 -0.3584500 -1.5524563 -0.4342974 0.1268514 -0.4124602 -1.7462719 8 Br -1.7398601 0.0000000 -0.3797645 0.0000000 -1.7933309 0.0000000 -0.3292665 0.0000000 -2.5391572 9 Br -2.2539155 -0.3353070 0.1338508 -0.3584500 -1.5524563 -0.4342974 0.1268514 -0.4124602 -1.7462719 10 Br -1.7184598 -0.0877647 0.1973635 -0.0597862 -1.9723907 -0.8610940 0.1813805 -1.0439870 -1.8134653 11 Br -1.7184598 0.0877647 0.1973635 0.0597862 -1.9723907 0.8610940 0.1813805 1.0439870 -1.8134653 12 Br -1.7184598 -0.0877647 0.1973635 -0.0597862 -1.9723907 -0.8610940 0.1813805 -1.0439870 -1.8134653 13 Br -1.7184598 0.0877647 0.1973635 0.0597862 -1.9723907 0.8610940 0.1813805 1.0439870 -1.8134653 14 Br -2.2539155 0.3353070 0.1338508 0.3584500 -1.5524563 0.4342974 0.1268514 0.4124602 -1.7462719 15 Br -2.2539155 0.3353070 0.1338508 0.3584500 -1.5524563 0.4342974 0.1268514 0.4124602 -1.7462719 16 Br -1.7398601 0.0000000 -0.3797645 0.0000000 -1.7933309 0.0000000 -0.3292665 0.0000000 -2.5391572 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) --------------------------- 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 ... [ 8 8 6 ] 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: 0.54, Number of G-points: 299, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/114) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.674 ( 0.000 0.000 0.000) 0.000 0.799 ( 0.000 0.000 0.000) 0.000 0.920 ( 0.000 0.000 0.000) 0.000 0.989 ( 0.000 0.000 0.000) 0.000 1.009 ( 0.000 0.000 0.000) 0.000 1.019 ( 0.000 0.000 0.000) 0.000 1.151 ( 0.000 0.000 0.000) 0.000 1.266 ( 0.000 0.000 0.000) 0.000 1.310 ( 0.000 0.000 0.000) 0.000 1.446 ( 0.000 0.000 0.000) 0.000 1.480 ( 0.000 0.000 0.000) 0.000 1.553 ( 0.000 0.000 0.000) 0.000 1.648 ( 0.000 0.000 0.000) 0.000 1.786 ( 0.000 0.000 0.000) 0.000 1.818 ( 0.000 0.000 0.000) 0.000 1.914 ( 0.000 0.000 0.000) 0.000 1.921 ( 0.000 0.000 0.000) 0.000 2.072 ( 0.000 0.000 0.000) 0.000 2.129 ( 0.000 0.000 0.000) 0.000 2.248 ( 0.000 0.000 0.000) 0.000 2.284 ( 0.000 0.000 0.000) 0.000 2.444 ( 0.000 0.000 0.000) 0.000 2.445 ( 0.000 0.000 0.000) 0.000 2.574 ( 0.000 0.000 0.000) 0.000 2.590 ( 0.000 0.000 0.000) 0.000 2.611 ( 0.000 0.000 0.000) 0.000 2.659 ( 0.000 0.000 0.000) 0.000 2.688 ( 0.000 0.000 0.000) 0.000 2.720 ( 0.000 0.000 0.000) 0.000 2.780 ( 0.000 0.000 0.000) 0.000 2.947 ( 0.000 0.000 0.000) 0.000 3.046 ( 0.000 0.000 0.000) 0.000 3.138 ( 0.000 0.000 0.000) 0.000 3.143 ( 0.000 0.000 0.000) 0.000 3.318 ( 0.000 0.000 0.000) 0.000 3.387 ( 0.000 0.000 0.000) 0.000 3.388 ( 0.000 0.000 0.000) 0.000 3.593 ( 0.000 0.000 0.000) 0.000 3.685 ( 0.000 0.000 0.000) 0.000 3.859 ( 0.000 0.000 0.000) 0.000 3.866 ( 0.000 0.000 0.000) 0.000 3.876 ( 0.000 0.000 0.000) 0.000 3.991 ( 0.000 0.000 0.000) 0.000 4.102 ( 0.000 0.000 0.000) 0.000 4.102 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/114) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.246 ( 9.479 -8.731 2.788) 13.185 0.250 ( 2.635 -12.003 2.428) 12.527 0.473 ( 11.374 -20.086 -2.898) 23.264 0.673 ( -1.314 0.017 -1.194) 1.776 0.763 ( 4.438 6.314 3.842) 8.621 0.913 ( -2.299 4.083 1.593) 4.949 0.934 ( 2.290 2.656 -0.520) 3.545 0.984 ( -2.580 0.354 0.239) 2.615 1.082 ( -2.257 -2.474 0.141) 3.351 1.210 ( -0.160 -5.725 -2.330) 6.183 1.266 ( -5.307 -1.217 3.914) 6.706 1.365 ( 9.862 0.569 1.956) 10.070 1.498 ( 1.502 -1.845 -1.848) 3.012 1.509 ( 10.493 3.691 0.794) 11.152 1.582 ( 2.666 -0.360 -2.055) 3.385 1.648 ( -1.500 -0.492 1.955) 2.513 1.829 ( 0.054 -4.380 0.194) 4.385 1.914 ( 0.179 1.402 3.283) 3.575 1.947 ( -1.525 -3.379 -1.035) 3.849 2.024 ( -0.832 3.735 -0.793) 3.908 2.125 ( -0.562 -0.364 -0.706) 0.973 2.249 ( 0.679 -0.198 -0.291) 0.765 2.278 ( -1.109 0.302 0.786) 1.392 2.359 ( -2.784 0.783 -2.751) 3.992 2.475 ( 2.582 -0.190 1.822) 3.166 2.498 ( 7.658 5.247 -1.093) 9.347 2.556 ( -1.775 0.920 -1.066) 2.266 2.576 ( 0.682 1.203 -0.072) 1.384 2.607 ( -0.691 1.224 1.322) 1.930 2.631 ( 0.806 1.917 -0.082) 2.081 2.692 ( -0.556 0.128 0.481) 0.746 2.801 ( -0.594 -2.121 0.561) 2.273 2.906 ( -0.694 3.994 -0.404) 4.074 3.016 ( 0.070 -1.064 1.466) 1.813 3.073 ( -1.249 5.550 0.493) 5.710 3.165 ( -0.091 -1.748 0.158) 1.757 3.279 ( -0.082 1.704 -0.497) 1.777 3.341 ( -0.101 1.234 1.361) 1.840 3.423 ( -0.031 0.884 -7.217) 7.271 3.489 ( 4.193 5.438 4.484) 8.201 3.648 ( -0.463 -3.005 0.583) 3.096 3.701 ( 0.524 -1.247 0.746) 1.545 3.770 ( 0.045 4.147 -0.250) 4.155 3.917 ( -0.768 -2.820 -2.919) 4.131 3.949 ( 2.620 -1.144 2.058) 3.523 4.092 ( -0.537 0.868 0.694) 1.234 4.134 ( -0.571 -3.723 -0.790) 3.848 4.418 ( -9.998 -3.568 -1.755) 10.759 ======================= Grid point 2 (3/114) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.446 ( 6.174 -6.544 1.558) 9.131 0.448 ( 1.001 -7.727 0.712) 7.824 0.615 ( 0.780 1.708 -1.920) 2.686 0.724 ( 4.472 2.859 2.255) 5.767 0.791 ( -1.203 -0.230 -1.334) 1.811 0.870 ( 1.147 2.429 0.446) 2.724 0.964 ( 8.219 -13.342 0.113) 15.671 1.017 ( -1.484 -4.220 0.820) 4.548 1.049 ( -5.716 0.987 -2.683) 6.391 1.244 ( -3.059 -3.541 -1.130) 4.814 1.355 ( 4.437 -3.708 3.230) 6.624 1.453 ( 2.666 -3.308 3.001) 5.202 1.495 ( 8.252 1.714 -1.951) 8.651 1.561 ( -6.055 -3.042 -0.432) 6.790 1.582 ( 1.270 1.064 0.961) 1.915 1.680 ( 1.508 -2.772 -0.360) 3.176 1.863 ( 3.623 3.577 0.500) 5.116 1.907 ( -0.994 2.855 -2.562) 3.963 1.931 ( -1.931 -3.839 2.934) 5.204 2.031 ( -2.149 -3.091 2.483) 4.510 2.130 ( -3.777 -2.236 -2.888) 5.255 2.232 ( 2.354 3.444 -4.579) 6.195 2.266 ( 1.204 2.329 4.049) 4.824 2.320 ( 1.110 1.374 -2.096) 2.741 2.413 ( -1.228 4.503 1.241) 4.829 2.499 ( 1.071 0.178 -2.800) 3.003 2.512 ( -1.815 2.046 -1.217) 2.993 2.540 ( 0.499 3.958 2.120) 4.517 2.601 ( 1.390 0.751 -1.151) 1.954 2.627 ( 0.593 0.309 1.968) 2.079 2.712 ( 2.374 -3.358 -0.175) 4.116 2.789 ( -2.064 4.910 1.528) 5.540 2.848 ( 0.762 -0.081 -0.361) 0.847 2.953 ( -2.523 5.138 1.685) 5.967 3.059 ( -0.929 -3.398 1.014) 3.666 3.179 ( -3.398 4.369 -2.063) 5.907 3.202 ( -0.608 0.158 -0.525) 0.819 3.340 ( 0.112 -0.815 0.849) 1.182 3.400 ( 2.319 1.345 -4.742) 5.447 3.424 ( 2.639 5.584 4.795) 7.819 3.688 ( -0.332 -1.532 -1.145) 1.941 3.723 ( -1.695 -1.666 -0.552) 2.440 3.738 ( 0.259 0.177 1.746) 1.774 3.936 ( 2.706 1.929 -0.110) 3.325 3.989 ( -0.178 -2.860 -0.023) 2.866 4.069 ( -0.340 0.986 0.180) 1.058 4.206 ( -0.208 -4.295 -1.008) 4.417 4.396 ( -3.891 -0.085 0.117) 3.894 ======================= Grid point 3 (4/114) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.506 ( -1.331 -0.580 -0.804) 1.660 0.581 ( 2.574 -4.855 -0.625) 5.531 0.639 ( 3.387 -1.449 -1.833) 4.114 0.709 ( 0.936 1.423 0.503) 1.776 0.738 ( 1.574 3.406 1.705) 4.121 0.906 ( 2.461 -3.001 0.733) 3.950 0.935 ( -5.235 3.045 -0.707) 6.098 1.089 ( -1.224 -4.049 1.067) 4.362 1.280 ( 3.856 -9.568 -4.181) 11.131 1.297 ( -2.694 -5.489 -1.260) 6.243 1.415 ( 6.778 0.872 2.469) 7.266 1.475 ( 4.053 1.143 3.679) 5.592 1.497 ( -5.446 1.829 2.277) 6.179 1.583 ( 0.270 1.451 -1.989) 2.477 1.641 ( 2.833 -8.611 1.203) 9.145 1.732 ( -0.164 -2.877 -1.692) 3.342 1.850 ( 3.653 1.007 2.492) 4.535 1.860 ( 1.177 0.631 -3.611) 3.850 1.984 ( -2.242 -2.179 1.895) 3.656 2.018 ( -4.609 1.792 2.984) 5.776 2.135 ( 1.138 7.520 -5.480) 9.374 2.155 ( -4.314 -3.436 -2.169) 5.927 2.238 ( 1.304 1.245 0.496) 1.870 2.307 ( 0.032 1.971 1.671) 2.584 2.359 ( 1.317 1.146 2.708) 3.222 2.451 ( 0.437 4.150 -1.106) 4.317 2.472 ( 0.414 2.934 0.741) 3.055 2.517 ( 0.582 -1.361 -4.961) 5.177 2.589 ( -1.962 -0.678 0.174) 2.083 2.646 ( 1.543 0.762 2.283) 2.859 2.680 ( 0.036 2.819 0.395) 2.846 2.804 ( 0.490 -0.056 3.607) 3.641 2.829 ( 0.097 -0.712 -2.112) 2.231 2.904 ( 0.147 -0.304 -0.126) 0.360 3.035 ( -3.252 6.048 -2.593) 7.340 3.088 ( -1.994 -0.359 1.381) 2.452 3.252 ( -0.059 -4.610 -1.088) 4.737 3.355 ( -0.707 -0.655 -0.636) 1.155 3.362 ( 2.984 3.402 5.724) 7.297 3.397 ( 1.855 0.782 -2.059) 2.879 3.685 ( -3.131 0.674 -4.714) 5.699 3.718 ( 0.229 0.347 0.014) 0.416 3.761 ( -0.706 -1.637 3.604) 4.021 3.910 ( 3.034 2.875 0.241) 4.187 4.031 ( -1.363 -2.122 0.679) 2.612 4.061 ( 0.907 0.140 -0.959) 1.328 4.272 ( 0.188 -3.192 -1.096) 3.380 4.363 ( -1.735 1.395 0.947) 2.419 ======================= Grid point 4 (5/114) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.503 ( 0.000 -0.000 -0.000) 0.000 0.652 ( 0.000 0.000 -0.000) 0.000 0.652 ( -0.000 -0.000 0.000) 0.000 0.704 ( -0.000 -0.000 -0.000) 0.000 0.712 ( 0.000 0.000 0.000) 0.000 0.880 ( 0.000 -0.000 0.000) 0.000 0.956 ( 0.000 -0.000 0.000) 0.000 1.118 ( -0.000 -0.000 -0.000) 0.000 1.358 ( -0.000 0.000 -0.000) 0.000 1.358 ( 0.000 -0.000 0.000) 0.000 1.407 ( 0.000 0.000 0.000) 0.000 1.461 ( 0.000 -0.000 0.000) 0.000 1.524 ( -0.000 -0.000 -0.000) 0.000 1.540 ( 0.000 -0.000 0.000) 0.000 1.737 ( 0.000 -0.000 0.000) 0.000 1.799 ( 0.000 0.000 -0.000) 0.000 1.864 ( -0.000 -0.000 0.000) 0.000 1.923 ( 0.000 0.000 -0.000) 0.000 1.923 ( 0.000 -0.000 0.000) 0.000 1.952 ( 0.000 -0.000 -0.000) 0.000 2.059 ( 0.000 -0.000 0.000) 0.000 2.169 ( 0.000 -0.000 -0.000) 0.000 2.230 ( 0.000 -0.000 0.000) 0.000 2.289 ( 0.000 -0.000 -0.000) 0.000 2.374 ( 0.000 -0.000 0.000) 0.000 2.395 ( -0.000 -0.000 -0.000) 0.000 2.446 ( 0.000 -0.000 -0.000) 0.000 2.551 ( 0.000 -0.000 -0.000) 0.000 2.558 ( -0.000 0.000 0.000) 0.000 2.631 ( 0.000 -0.000 0.000) 0.000 2.694 ( 0.000 -0.000 0.000) 0.000 2.776 ( -0.000 -0.000 -0.000) 0.000 2.863 ( 0.000 -0.000 0.000) 0.000 2.910 ( 0.000 -0.000 0.000) 0.000 2.955 ( -0.000 -0.000 -0.000) 0.000 3.076 ( 0.000 -0.000 -0.000) 0.000 3.303 ( 0.000 -0.000 0.000) 0.000 3.346 ( -0.000 -0.000 -0.000) 0.000 3.365 ( 0.000 -0.000 0.000) 0.000 3.397 ( 0.000 -0.000 0.000) 0.000 3.647 ( 0.000 -0.000 0.000) 0.000 3.719 ( 0.000 -0.000 0.000) 0.000 3.775 ( 0.000 -0.000 0.000) 0.000 3.895 ( -0.000 -0.000 0.000) 0.000 4.042 ( -0.000 -0.000 0.000) 0.000 4.067 ( 0.000 -0.000 0.000) 0.000 4.318 ( 0.000 0.000 0.000) 0.000 4.326 ( 0.000 -0.000 -0.000) 0.000 ======================= Grid point 10 (6/114) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.183 ( 11.431 0.000 0.183) 11.432 0.200 ( 12.952 0.000 -3.232) 13.349 0.453 ( 28.518 0.000 2.351) 28.615 0.674 ( 0.194 0.000 -1.830) 1.840 0.889 ( -4.129 -0.000 3.555) 5.448 0.910 ( -0.848 -0.000 5.678) 5.741 0.972 ( -3.302 -0.000 0.519) 3.342 0.978 ( -1.229 -0.000 -3.155) 3.386 1.077 ( 3.124 0.000 0.466) 3.158 1.101 ( -5.705 -0.000 -4.555) 7.301 1.217 ( -4.133 -0.000 4.729) 6.280 1.389 ( -0.357 -0.000 4.070) 4.085 1.526 ( 6.159 0.000 -1.420) 6.321 1.562 ( 2.064 0.000 0.189) 2.073 1.623 ( -3.443 -0.000 2.251) 4.113 1.725 ( -3.250 -0.000 2.237) 3.945 1.887 ( -3.161 -0.000 0.550) 3.208 1.921 ( 9.046 0.000 -3.747) 9.791 1.926 ( 0.205 0.000 1.077) 1.096 2.055 ( -1.533 -0.000 -2.158) 2.647 2.126 ( -0.735 -0.000 0.185) 0.758 2.255 ( -3.108 -0.000 8.854) 9.383 2.260 ( 1.514 0.000 1.332) 2.017 2.284 ( 1.024 0.000 -9.784) 9.838 2.505 ( 5.699 0.000 0.921) 5.773 2.543 ( -3.578 -0.000 -1.438) 3.856 2.570 ( -2.518 -0.000 2.092) 3.274 2.622 ( 1.170 0.000 -0.239) 1.194 2.656 ( -0.499 -0.000 -0.181) 0.531 2.667 ( -2.612 -0.000 0.622) 2.685 2.710 ( -0.936 -0.000 0.557) 1.090 2.768 ( -1.217 -0.000 1.040) 1.601 2.946 ( -0.198 -0.000 -0.118) 0.230 3.020 ( -3.169 -0.000 1.869) 3.679 3.110 ( -3.442 -0.000 0.055) 3.443 3.158 ( 2.292 0.000 1.905) 2.980 3.304 ( -1.785 -0.000 -3.490) 3.920 3.389 ( 0.044 0.000 1.962) 1.963 3.413 ( 3.196 0.000 -1.125) 3.388 3.588 ( -0.464 -0.000 -0.787) 0.913 3.702 ( 1.441 0.000 6.110) 6.277 3.753 ( 0.122 0.000 -11.698) 11.699 3.828 ( -1.316 -0.000 -1.876) 2.292 3.905 ( 1.866 0.000 3.635) 4.086 3.931 ( -0.281 -0.000 5.186) 5.194 3.994 ( 0.559 0.000 0.730) 0.919 4.110 ( 0.940 0.000 -1.255) 1.568 4.123 ( 0.643 0.000 -6.716) 6.747 ======================= Grid point 11 (7/114) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.330 ( 6.845 -7.243 1.892) 10.144 0.401 ( 9.353 -7.035 -0.303) 11.707 0.663 ( 0.631 1.868 -1.908) 2.743 0.723 ( 14.374 -5.532 -1.946) 15.524 0.810 ( 0.287 3.541 2.612) 4.409 0.900 ( 4.932 -1.173 1.783) 5.374 0.930 ( -3.961 -0.189 0.104) 3.967 0.960 ( 1.024 1.233 0.571) 1.702 1.035 ( -4.779 1.398 -3.176) 5.906 1.165 ( -2.020 -3.533 1.624) 4.382 1.227 ( -1.756 -5.904 3.689) 7.180 1.407 ( -3.079 -2.480 0.481) 3.982 1.525 ( -4.083 1.410 2.384) 4.934 1.576 ( 7.347 0.024 -1.794) 7.563 1.644 ( 1.025 -2.286 0.930) 2.672 1.712 ( 4.611 3.652 -1.803) 6.152 1.855 ( 1.821 0.685 1.769) 2.630 1.916 ( 1.560 -0.366 0.590) 1.707 1.935 ( 1.356 -0.103 0.685) 1.523 2.002 ( -0.965 2.733 -2.742) 3.990 2.100 ( -2.400 1.480 -1.459) 3.175 2.253 ( -1.835 -0.652 0.995) 2.187 2.282 ( 2.641 -1.171 2.856) 4.062 2.335 ( 0.025 -1.300 -5.102) 5.265 2.483 ( -3.785 2.926 -0.679) 4.832 2.522 ( -0.972 1.613 2.832) 3.401 2.566 ( 2.017 3.141 -1.739) 4.118 2.610 ( 1.518 1.510 -0.013) 2.141 2.620 ( 3.177 1.313 -0.521) 3.477 2.640 ( 0.302 0.056 0.598) 0.672 2.677 ( -1.556 0.904 1.849) 2.581 2.782 ( -1.700 -1.783 1.248) 2.762 2.897 ( -0.143 3.527 -0.430) 3.555 2.999 ( -3.242 -0.052 2.764) 4.260 3.036 ( -3.177 3.737 -0.168) 4.908 3.178 ( 1.479 -0.012 1.634) 2.204 3.250 ( -3.432 3.484 -3.849) 6.224 3.363 ( 2.676 2.034 2.784) 4.364 3.429 ( 1.835 1.285 -6.560) 6.932 3.550 ( 1.929 5.069 2.416) 5.938 3.643 ( 0.006 -0.017 -0.153) 0.154 3.724 ( 1.728 -0.253 4.738) 5.050 3.777 ( 1.318 3.746 -1.622) 4.290 3.910 ( 0.109 -2.905 -2.470) 3.814 3.993 ( 2.329 -0.272 0.918) 2.518 4.071 ( -2.301 -1.356 1.661) 3.145 4.122 ( -0.165 -3.369 -2.026) 3.935 4.276 ( -5.853 -9.306 -1.433) 11.087 ======================= Grid point 12 (8/114) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.476 ( 3.079 -3.361 -1.527) 4.807 0.543 ( 5.196 -2.863 0.787) 5.985 0.644 ( 2.756 -0.092 -0.146) 2.761 0.766 ( 1.365 2.239 -2.056) 3.333 0.801 ( 1.776 0.202 1.711) 2.475 0.870 ( -1.364 0.100 -0.136) 1.374 0.947 ( -4.889 2.732 -2.388) 6.088 0.996 ( -1.053 -4.561 1.799) 5.014 1.156 ( 9.547 -8.406 -2.036) 12.882 1.194 ( 0.614 -3.882 1.725) 4.292 1.364 ( -2.393 -7.012 -2.013) 7.678 1.426 ( -5.641 -5.020 4.761) 8.927 1.487 ( -0.623 -0.055 3.345) 3.403 1.631 ( 5.262 0.190 0.770) 5.322 1.673 ( 1.593 1.712 -1.085) 2.578 1.682 ( 5.331 1.565 -1.607) 5.784 1.879 ( -2.105 -0.198 0.167) 2.121 1.920 ( 2.111 -1.029 3.666) 4.354 1.942 ( 4.745 1.867 -3.353) 6.103 1.996 ( -1.998 -1.155 -0.517) 2.365 2.054 ( -4.809 -1.316 -2.636) 5.640 2.244 ( -1.222 0.851 -0.372) 1.535 2.276 ( 0.348 5.016 -1.175) 5.163 2.346 ( 2.079 0.239 0.868) 2.266 2.395 ( -2.004 2.443 1.897) 3.686 2.499 ( 1.371 0.778 -0.706) 1.728 2.522 ( 1.810 1.695 -4.144) 4.829 2.548 ( 0.493 4.959 2.214) 5.453 2.592 ( -0.851 2.781 0.668) 2.984 2.651 ( 0.179 -0.638 1.601) 1.733 2.730 ( -0.855 -0.157 -2.868) 2.997 2.770 ( 0.382 -1.733 2.739) 3.264 2.858 ( -0.389 3.331 1.263) 3.583 2.903 ( -3.292 1.877 1.282) 4.001 3.035 ( -2.288 -1.937 1.066) 3.182 3.123 ( -3.401 5.148 -2.251) 6.568 3.193 ( -0.277 -0.951 -0.248) 1.021 3.365 ( 3.083 1.049 -0.429) 3.285 3.415 ( 0.828 0.694 -3.824) 3.974 3.476 ( 2.406 5.154 4.926) 7.524 3.646 ( -3.401 -0.908 -2.948) 4.592 3.736 ( 0.707 0.413 4.310) 4.387 3.754 ( 2.881 0.789 -1.796) 3.485 3.961 ( -0.301 -2.492 0.079) 2.511 3.994 ( 1.377 1.530 -0.182) 2.067 4.064 ( -0.336 -0.048 0.390) 0.517 4.201 ( -0.111 -4.686 -1.483) 4.916 4.337 ( -3.442 -2.638 0.493) 4.364 ======================= Grid point 13 (9/114) ======================= q-point: ( 0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.512 ( 2.418 -0.124 -2.439) 3.436 0.614 ( 1.694 -2.450 0.243) 2.989 0.679 ( 2.354 -0.081 -2.629) 3.530 0.709 ( -1.466 3.800 0.255) 4.081 0.785 ( 3.260 2.883 0.987) 4.463 0.884 ( -0.071 -0.393 0.326) 0.516 0.929 ( -0.227 -2.483 0.073) 2.494 1.077 ( -0.305 -3.807 2.467) 4.546 1.201 ( -6.365 -5.902 -2.964) 9.172 1.323 ( -3.675 -1.712 -1.636) 4.372 1.397 ( -1.409 -2.431 2.155) 3.541 1.499 ( 1.850 -2.573 3.827) 4.969 1.566 ( 7.046 -0.090 3.910) 8.058 1.616 ( 1.872 4.527 -3.428) 5.979 1.657 ( -1.769 -3.675 -1.974) 4.531 1.750 ( 3.950 -4.284 2.781) 6.457 1.870 ( 0.460 -0.959 -0.991) 1.453 1.937 ( 4.331 3.287 0.290) 5.445 1.953 ( 0.701 -0.042 0.669) 0.969 1.975 ( -1.290 0.396 -1.681) 2.155 2.065 ( -5.073 -0.910 -3.629) 6.304 2.150 ( -0.084 3.858 -1.671) 4.205 2.233 ( -0.696 0.271 0.742) 1.053 2.332 ( 1.809 2.789 0.310) 3.339 2.371 ( 0.045 0.257 2.747) 2.760 2.450 ( -0.543 4.388 -0.988) 4.530 2.472 ( -0.117 2.971 1.204) 3.208 2.554 ( 4.258 -1.320 -1.604) 4.738 2.576 ( -0.029 0.287 -0.841) 0.889 2.643 ( -2.395 3.702 2.138) 4.900 2.670 ( -0.791 -1.257 0.069) 1.487 2.777 ( -1.695 0.586 0.908) 2.010 2.831 ( -2.396 -1.595 -1.632) 3.309 2.912 ( 0.573 -0.854 0.736) 1.265 2.973 ( -3.454 3.532 -0.330) 4.951 3.079 ( 0.107 0.275 1.884) 1.907 3.249 ( 0.279 -5.037 -1.358) 5.224 3.355 ( 1.451 1.559 -3.591) 4.175 3.398 ( 1.090 2.257 2.138) 3.294 3.440 ( 2.697 1.993 2.406) 4.127 3.619 ( -3.560 -0.658 -3.803) 5.251 3.732 ( -0.208 0.666 4.288) 4.345 3.767 ( 1.855 0.051 -1.683) 2.505 3.947 ( 1.709 3.490 0.365) 3.903 4.006 ( -1.915 -2.312 0.176) 3.007 4.075 ( 0.949 -0.396 -0.295) 1.070 4.273 ( 0.120 -3.499 -1.249) 3.717 4.338 ( -1.587 0.137 1.103) 1.938 ======================= Grid point 14 (10/114) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.530 ( 3.261 0.416 -0.465) 3.321 0.636 ( -1.941 1.451 0.687) 2.519 0.651 ( -1.347 0.899 -1.105) 1.961 0.663 ( -1.698 1.283 -0.116) 2.131 0.755 ( 4.064 2.599 -0.270) 4.832 0.917 ( -3.584 1.350 0.004) 3.830 0.935 ( 5.232 -1.961 0.227) 5.592 1.123 ( 0.421 -1.339 0.585) 1.521 1.274 ( -9.897 -3.686 0.461) 10.572 1.319 ( -2.399 -5.619 -2.618) 6.647 1.387 ( 0.229 3.574 3.927) 5.315 1.479 ( -3.301 2.772 -1.407) 4.534 1.540 ( 6.154 6.149 -3.069) 9.225 1.616 ( 5.921 0.071 4.164) 7.239 1.699 ( -3.902 -1.594 1.511) 4.478 1.791 ( -0.497 4.467 -2.188) 4.999 1.864 ( -0.871 5.229 1.269) 5.451 1.894 ( -1.169 2.504 -3.086) 4.142 1.955 ( 1.654 -5.917 1.572) 6.342 2.009 ( 3.935 -2.203 -0.569) 4.546 2.050 ( 0.649 -1.809 -0.795) 2.080 2.151 ( -2.259 -2.500 -1.027) 3.523 2.255 ( 3.593 -1.654 -0.352) 3.971 2.291 ( 0.359 2.641 0.453) 2.703 2.372 ( -1.390 2.933 -0.769) 3.336 2.386 ( 0.021 -1.649 1.318) 2.111 2.444 ( -0.172 0.398 0.095) 0.444 2.545 ( -0.533 1.534 3.806) 4.138 2.586 ( 2.002 -1.514 -0.523) 2.565 2.627 ( 0.313 -0.627 0.105) 0.708 2.657 ( -3.926 1.152 -1.677) 4.422 2.804 ( -2.079 -0.375 -2.626) 3.370 2.815 ( 1.108 -1.315 -0.237) 1.736 2.913 ( -0.592 0.616 0.523) 1.002 2.949 ( -1.275 -3.637 2.571) 4.633 3.092 ( 1.610 -1.308 1.213) 2.403 3.316 ( 1.596 -0.249 -2.962) 3.374 3.334 ( -0.856 2.702 -0.609) 2.899 3.365 ( -0.943 0.732 0.134) 1.201 3.403 ( 1.276 2.289 0.031) 2.621 3.659 ( 1.126 -4.567 0.620) 4.744 3.722 ( 0.167 0.473 3.455) 3.491 3.770 ( -0.403 -0.051 -2.964) 2.991 3.895 ( -0.000 2.964 0.046) 2.965 4.029 ( -1.091 -1.605 -0.019) 1.941 4.078 ( 0.746 1.030 0.175) 1.284 4.313 ( -0.411 1.591 0.524) 1.725 4.330 ( 0.307 -2.783 -0.538) 2.851 ======================= Grid point 15 (11/114) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.544 ( -1.514 7.025 -0.342) 7.195 0.548 ( 3.377 1.742 -0.650) 3.855 0.597 ( -2.524 1.219 2.899) 4.032 0.657 ( -3.421 -1.463 -1.975) 4.212 0.770 ( 3.989 -0.832 0.234) 4.082 0.849 ( -4.168 1.156 -0.472) 4.351 1.041 ( 8.172 -3.154 -0.878) 8.804 1.103 ( 0.747 4.039 -0.178) 4.111 1.195 ( -8.898 6.079 3.966) 11.483 1.266 ( -3.736 6.995 -1.392) 8.052 1.366 ( 1.897 1.890 0.564) 2.736 1.417 ( -3.709 -0.100 -1.864) 4.152 1.539 ( 2.771 -2.730 -1.488) 4.164 1.607 ( -1.403 8.490 -1.078) 8.673 1.660 ( 5.772 1.092 1.368) 6.032 1.710 ( -2.273 2.118 1.965) 3.676 1.785 ( -3.747 0.268 -0.717) 3.824 1.877 ( 1.248 -0.377 -0.307) 1.340 2.006 ( 0.951 1.999 -1.501) 2.675 2.081 ( 3.242 -0.698 -1.986) 3.865 2.119 ( -0.416 -6.001 3.503) 6.961 2.181 ( -3.517 -3.789 -1.428) 5.363 2.219 ( 0.940 4.220 2.751) 5.125 2.311 ( -0.660 1.580 -0.465) 1.775 2.371 ( 5.295 -4.124 -2.663) 7.220 2.439 ( -2.269 -4.436 0.540) 5.012 2.465 ( -0.182 -3.241 0.445) 3.277 2.530 ( 1.017 1.788 4.051) 4.544 2.587 ( -4.573 1.057 -2.191) 5.180 2.638 ( 3.493 -0.300 0.770) 3.589 2.674 ( -0.245 -5.875 -0.582) 5.909 2.745 ( -3.691 3.123 -1.899) 5.195 2.865 ( 2.636 -1.048 0.444) 2.871 2.897 ( -1.148 -0.693 -0.247) 1.364 3.059 ( 0.137 -6.796 1.192) 6.901 3.149 ( 5.187 -0.608 1.555) 5.449 3.230 ( -3.786 3.040 -0.241) 4.861 3.313 ( -1.110 -0.897 -3.928) 4.179 3.361 ( 0.141 0.722 -0.790) 1.079 3.396 ( 0.390 0.285 2.007) 2.064 3.709 ( 0.961 0.736 3.772) 3.961 3.732 ( -0.494 -0.139 -2.365) 2.420 3.788 ( 3.982 -0.079 -0.693) 4.043 3.854 ( -4.168 -1.710 -0.241) 4.512 4.045 ( 0.756 1.444 -1.735) 2.381 4.052 ( -0.592 -0.009 1.885) 1.976 4.271 ( -0.059 2.951 0.442) 2.984 4.382 ( 0.780 -2.667 -0.363) 2.802 ======================= Grid point 16 (12/114) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.384 ( 0.000 9.627 0.000) 9.627 0.442 ( 0.000 9.627 0.000) 9.627 0.625 ( -0.000 -1.424 -0.000) 1.424 0.664 ( -0.000 -2.299 -0.000) 2.299 0.816 ( 0.000 5.041 0.000) 5.041 0.847 ( -0.000 -5.085 -0.000) 5.085 0.903 ( 0.000 12.391 0.000) 12.391 1.029 ( 0.000 3.836 0.000) 3.836 1.163 ( 0.000 2.915 0.000) 2.915 1.180 ( -0.000 -4.452 -0.000) 4.452 1.320 ( 0.000 2.847 0.000) 2.847 1.411 ( 0.000 1.231 0.000) 1.231 1.438 ( 0.000 6.806 0.000) 6.806 1.591 ( -0.000 -0.537 -0.000) 0.537 1.611 ( 0.000 6.588 0.000) 6.588 1.671 ( 0.000 1.047 0.000) 1.047 1.825 ( -0.000 -4.506 -0.000) 4.506 1.925 ( -0.000 -4.354 -0.000) 4.354 1.942 ( 0.000 4.805 0.000) 4.805 2.048 ( 0.000 4.234 0.000) 4.234 2.159 ( 0.000 2.663 0.000) 2.663 2.220 ( -0.000 -3.977 -0.000) 3.977 2.241 ( -0.000 -3.579 -0.000) 3.579 2.312 ( -0.000 -2.390 -0.000) 2.390 2.445 ( -0.000 -1.734 -0.000) 1.734 2.487 ( 0.000 2.302 0.000) 2.302 2.518 ( -0.000 -4.628 -0.000) 4.628 2.532 ( -0.000 -3.036 -0.000) 3.036 2.575 ( -0.000 -1.790 -0.000) 1.790 2.644 ( 0.000 3.552 0.000) 3.552 2.682 ( -0.000 -1.303 -0.000) 1.303 2.804 ( -0.000 -7.145 -0.000) 7.145 2.843 ( 0.000 2.318 0.000) 2.318 2.970 ( -0.000 -5.720 -0.000) 5.720 3.064 ( 0.000 3.897 0.000) 3.897 3.202 ( 0.000 1.712 0.000) 1.712 3.223 ( -0.000 -5.350 -0.000) 5.350 3.344 ( 0.000 0.708 0.000) 0.708 3.370 ( -0.000 -5.338 -0.000) 5.338 3.401 ( -0.000 -1.369 -0.000) 1.369 3.687 ( 0.000 1.675 0.000) 1.675 3.732 ( -0.000 -0.595 -0.000) 0.595 3.751 ( 0.000 3.713 0.000) 3.713 3.909 ( -0.000 -3.351 -0.000) 3.351 3.990 ( 0.000 3.660 0.000) 3.660 4.072 ( -0.000 -1.289 -0.000) 1.289 4.209 ( 0.000 4.048 0.000) 4.048 4.432 ( -0.000 -2.279 -0.000) 2.279 ======================= Grid point 19 (13/114) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.346 ( 9.687 0.000 -0.072) 9.687 0.383 ( 11.510 0.000 -3.535) 12.040 0.671 ( -0.350 -0.000 -2.813) 2.835 0.819 ( -5.160 -0.000 2.197) 5.608 0.843 ( 12.669 0.000 0.136) 12.670 0.898 ( 2.998 0.000 2.888) 4.163 0.927 ( -5.167 -0.000 -3.652) 6.327 0.964 ( 5.950 0.000 4.268) 7.322 1.010 ( -3.489 -0.000 -2.397) 4.233 1.126 ( 3.506 0.000 0.778) 3.592 1.169 ( -3.326 -0.000 4.323) 5.454 1.369 ( -3.800 -0.000 0.862) 3.896 1.537 ( -1.687 -0.000 -2.496) 3.012 1.570 ( -2.588 -0.000 2.535) 3.623 1.627 ( 2.330 0.000 1.170) 2.607 1.735 ( 4.813 0.000 0.166) 4.816 1.825 ( -4.723 -0.000 0.087) 4.723 1.919 ( -2.147 -0.000 0.345) 2.174 2.038 ( 0.624 0.000 -3.183) 3.243 2.060 ( 9.132 0.000 -4.292) 10.090 2.102 ( -1.898 -0.000 -0.627) 1.999 2.233 ( -1.360 -0.000 3.940) 4.168 2.280 ( 0.252 0.000 -5.778) 5.783 2.286 ( 0.149 0.000 5.302) 5.304 2.467 ( -4.997 -0.000 -2.211) 5.465 2.546 ( 0.186 0.000 2.590) 2.597 2.588 ( 3.611 0.000 1.831) 4.048 2.593 ( -4.442 -0.000 -1.761) 4.779 2.645 ( -0.635 -0.000 0.150) 0.652 2.667 ( 2.457 0.000 1.676) 2.975 2.704 ( 0.013 0.000 0.552) 0.553 2.757 ( -0.259 -0.000 1.037) 1.069 2.935 ( -1.664 -0.000 0.623) 1.776 2.971 ( -2.787 -0.000 1.246) 3.053 3.043 ( -4.946 -0.000 -0.372) 4.960 3.200 ( 2.559 0.000 1.726) 3.087 3.247 ( -4.551 -0.000 -4.779) 6.599 3.394 ( 0.178 0.000 0.817) 0.836 3.470 ( 4.195 0.000 -1.416) 4.427 3.578 ( -0.565 -0.000 -1.116) 1.250 3.723 ( -1.280 -0.000 -3.845) 4.053 3.753 ( 2.592 0.000 7.698) 8.123 3.816 ( 0.010 0.000 -1.634) 1.634 3.923 ( -0.348 -0.000 5.209) 5.220 3.933 ( 0.030 0.000 -2.514) 2.514 4.017 ( 2.172 0.000 -0.355) 2.201 4.121 ( 0.720 0.000 -1.455) 1.624 4.122 ( 0.179 0.000 -2.511) 2.518 ======================= Grid point 20 (14/114) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.449 ( 8.057 -3.607 0.230) 8.831 0.525 ( 6.691 -4.519 -1.854) 8.285 0.664 ( 0.033 0.102 -1.653) 1.657 0.780 ( -3.041 -0.096 -0.478) 3.080 0.803 ( -0.686 2.212 -2.263) 3.238 0.871 ( -3.970 0.362 0.074) 3.987 0.951 ( 0.156 0.504 2.393) 2.451 0.963 ( -1.096 1.586 -0.352) 1.959 1.125 ( 5.790 -2.816 0.893) 6.500 1.165 ( 4.652 -3.723 2.186) 6.347 1.235 ( 7.544 -6.421 1.378) 10.002 1.322 ( -7.837 -0.453 1.283) 7.954 1.485 ( -0.624 1.006 0.111) 1.189 1.620 ( -3.545 -2.712 1.268) 4.640 1.662 ( 3.650 -1.629 -0.636) 4.048 1.766 ( 2.512 -0.119 -0.338) 2.538 1.814 ( -2.971 -2.083 0.617) 3.681 1.913 ( -4.529 -1.826 -1.192) 5.027 2.018 ( 4.812 6.643 -0.393) 8.212 2.023 ( 4.053 1.951 -2.516) 5.154 2.069 ( 1.343 2.542 -2.929) 4.104 2.222 ( -2.446 -0.285 3.020) 3.897 2.320 ( 1.245 -1.604 0.302) 2.052 2.323 ( -1.999 -2.531 0.516) 3.266 2.418 ( -2.815 1.546 -1.472) 3.533 2.527 ( 0.089 1.302 1.950) 2.346 2.565 ( 0.229 1.429 -2.059) 2.517 2.623 ( -0.375 1.478 -0.519) 1.611 2.644 ( 0.346 1.961 0.827) 2.156 2.667 ( 2.235 -1.221 0.676) 2.635 2.671 ( 1.181 1.558 2.174) 2.924 2.768 ( -0.123 -0.447 0.973) 1.078 2.899 ( -0.172 1.949 0.725) 2.087 2.930 ( -4.950 2.854 0.682) 5.755 2.991 ( -2.759 0.036 0.145) 2.763 3.170 ( -4.951 3.711 -3.478) 7.098 3.210 ( 1.474 1.271 0.693) 2.066 3.400 ( 0.845 -0.455 1.315) 1.628 3.459 ( 3.274 3.835 -3.473) 6.122 3.560 ( -0.130 2.108 0.625) 2.202 3.642 ( -0.340 3.438 -0.597) 3.506 3.763 ( 1.753 1.466 6.489) 6.880 3.806 ( 2.860 1.526 -2.597) 4.154 3.906 ( -0.364 -1.624 -1.544) 2.270 4.005 ( -1.137 -2.846 1.042) 3.237 4.052 ( 0.204 -1.066 0.337) 1.137 4.124 ( 0.545 -2.407 -1.306) 2.792 4.221 ( -2.001 -6.999 -0.733) 7.316 ======================= Grid point 21 (15/114) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.536 ( 5.036 -0.004 -4.523) 6.769 0.603 ( 2.295 -1.455 2.829) 3.923 0.678 ( 1.093 -0.967 -0.186) 1.471 0.774 ( -2.307 3.434 -2.122) 4.649 0.792 ( -0.694 -3.428 -1.316) 3.737 0.856 ( 0.058 -2.345 1.091) 2.587 0.917 ( 1.525 1.494 -0.405) 2.173 1.004 ( 1.767 -4.233 1.663) 4.879 1.110 ( -4.405 0.412 0.508) 4.454 1.255 ( -8.321 -0.397 -0.999) 8.390 1.327 ( 2.699 -7.276 0.340) 7.768 1.428 ( 4.314 -4.611 3.437) 7.190 1.543 ( 6.062 -5.099 -1.556) 8.073 1.607 ( -1.499 -1.066 2.935) 3.464 1.716 ( 3.382 -0.197 -1.406) 3.668 1.756 ( 1.449 3.457 1.422) 4.009 1.837 ( -2.320 -2.641 -1.288) 3.743 1.907 ( -6.719 -2.774 0.358) 7.278 1.984 ( -0.096 -0.858 -0.207) 0.887 2.015 ( 3.462 3.361 2.770) 5.564 2.045 ( 6.613 2.504 -8.119) 10.766 2.220 ( -1.220 -0.939 2.358) 2.816 2.255 ( -2.297 5.926 -2.357) 6.778 2.356 ( -2.540 -1.199 5.425) 6.109 2.392 ( 2.084 1.794 -1.772) 3.271 2.519 ( -0.549 3.932 -1.624) 4.290 2.535 ( 1.592 -0.768 -0.875) 1.972 2.560 ( 0.217 4.000 0.874) 4.100 2.590 ( 1.321 1.242 0.657) 1.929 2.656 ( 0.879 -0.205 1.362) 1.634 2.704 ( -1.317 3.617 -2.548) 4.617 2.773 ( -1.846 -1.048 3.192) 3.834 2.816 ( -3.120 4.005 0.437) 5.095 2.897 ( 0.996 -0.769 0.768) 1.474 3.000 ( -2.069 -0.153 0.084) 2.076 3.072 ( -2.383 0.727 -2.168) 3.302 3.194 ( 0.343 0.230 0.113) 0.429 3.411 ( 0.511 1.616 -3.581) 3.962 3.421 ( 2.491 1.184 1.300) 3.049 3.512 ( 1.430 3.161 4.310) 5.533 3.593 ( -2.680 1.404 -3.515) 4.638 3.746 ( 0.226 1.218 2.525) 2.813 3.810 ( 3.884 1.552 -1.074) 4.319 3.940 ( -2.011 -3.010 0.237) 3.627 4.016 ( 1.095 2.217 -0.048) 2.473 4.061 ( -0.177 -1.376 0.403) 1.445 4.198 ( -0.029 -4.676 -1.115) 4.807 4.297 ( -1.776 -3.385 0.453) 3.850 ======================= Grid point 22 (16/114) ======================= q-point: ( 0.62 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.564 ( 4.249 0.057 -2.782) 5.080 0.623 ( -1.221 -0.087 2.072) 2.406 0.661 ( -2.708 2.224 -0.280) 3.516 0.715 ( 1.727 2.288 -1.744) 3.355 0.833 ( 3.203 1.791 -0.138) 3.673 0.888 ( -2.721 -2.850 1.634) 4.265 0.937 ( 2.933 -0.735 -0.517) 3.068 1.092 ( 0.873 -1.279 -0.728) 1.711 1.121 ( -1.600 -7.165 2.229) 7.672 1.205 ( -7.688 -2.142 -1.620) 8.143 1.431 ( 2.526 -1.698 0.386) 3.068 1.491 ( -2.512 -0.034 1.942) 3.175 1.607 ( 0.063 -3.597 0.178) 3.602 1.638 ( -0.266 2.710 -1.233) 2.989 1.711 ( 7.754 1.433 0.676) 7.914 1.807 ( 2.724 -3.594 2.278) 5.053 1.850 ( -1.624 -1.172 -2.443) 3.159 1.900 ( -6.114 -1.116 0.401) 6.228 1.979 ( 2.240 3.533 2.681) 4.968 2.006 ( -1.336 -0.880 -1.776) 2.390 2.033 ( 2.895 1.027 -3.204) 4.439 2.145 ( 0.568 3.690 -1.413) 3.992 2.237 ( 1.087 -1.105 0.035) 1.550 2.344 ( -1.571 0.003 2.200) 2.703 2.372 ( 0.726 2.292 0.229) 2.415 2.440 ( -0.321 3.892 -0.469) 3.934 2.479 ( 0.468 3.007 1.073) 3.227 2.572 ( -0.524 0.546 -2.615) 2.723 2.588 ( -0.514 2.999 1.165) 3.258 2.632 ( 1.644 -1.019 1.144) 2.247 2.662 ( 0.562 1.899 1.074) 2.253 2.755 ( -3.740 0.239 -2.120) 4.306 2.774 ( -0.868 -3.714 0.338) 3.829 2.919 ( 0.289 -0.804 0.528) 1.005 2.936 ( -1.430 3.768 0.150) 4.033 3.088 ( 0.428 -0.430 0.809) 1.011 3.256 ( 0.514 -5.990 -0.709) 6.053 3.381 ( 2.177 2.554 -3.289) 4.699 3.403 ( -0.926 1.810 2.281) 3.055 3.471 ( 0.833 4.380 1.336) 4.654 3.576 ( -1.294 -3.446 -1.664) 4.040 3.730 ( -0.351 0.667 1.896) 2.040 3.797 ( 1.522 2.234 -0.950) 2.865 3.965 ( 0.561 3.734 0.285) 3.787 3.980 ( -1.149 -2.750 -0.016) 2.980 4.085 ( 0.385 -0.711 -0.034) 0.810 4.271 ( -0.018 -3.704 -0.590) 3.751 4.322 ( -0.610 -0.519 0.519) 0.955 ======================= Grid point 23 (17/114) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.580 ( 0.000 1.365 0.000) 1.365 0.607 ( -0.000 -1.634 -0.000) 1.634 0.619 ( 0.000 2.348 0.000) 2.348 0.659 ( 0.000 4.724 0.000) 4.724 0.834 ( 0.000 3.373 0.000) 3.373 0.836 ( 0.000 0.796 0.000) 0.796 1.015 ( -0.000 -4.032 -0.000) 4.032 1.134 ( -0.000 -1.500 -0.000) 1.500 1.152 ( -0.000 -0.450 -0.000) 0.450 1.300 ( -0.000 -7.984 -0.000) 7.984 1.409 ( 0.000 3.619 0.000) 3.619 1.430 ( 0.000 4.747 0.000) 4.747 1.622 ( 0.000 6.721 0.000) 6.721 1.630 ( -0.000 -1.443 -0.000) 1.443 1.690 ( -0.000 -0.288 -0.000) 0.288 1.785 ( 0.000 5.376 0.000) 5.376 1.832 ( 0.000 4.719 0.000) 4.719 1.896 ( 0.000 0.898 0.000) 0.898 1.975 ( -0.000 -5.968 -0.000) 5.968 2.013 ( -0.000 -1.131 -0.000) 1.131 2.085 ( -0.000 -3.953 -0.000) 3.953 2.121 ( 0.000 0.272 0.000) 0.272 2.289 ( -0.000 -0.191 -0.000) 0.191 2.316 ( -0.000 -0.551 -0.000) 0.551 2.346 ( 0.000 0.559 0.000) 0.559 2.387 ( 0.000 1.221 0.000) 1.221 2.443 ( 0.000 1.267 0.000) 1.267 2.548 ( -0.000 -0.329 -0.000) 0.329 2.588 ( -0.000 -2.153 -0.000) 2.153 2.610 ( 0.000 2.872 0.000) 2.872 2.650 ( 0.000 0.615 0.000) 0.615 2.757 ( -0.000 -1.695 -0.000) 1.695 2.868 ( 0.000 2.114 0.000) 2.114 2.882 ( -0.000 -4.034 -0.000) 4.034 2.942 ( -0.000 -3.495 -0.000) 3.495 3.110 ( -0.000 -2.631 -0.000) 2.631 3.322 ( 0.000 6.716 0.000) 6.716 3.329 ( 0.000 0.122 0.000) 0.122 3.357 ( -0.000 -0.321 -0.000) 0.321 3.416 ( 0.000 1.530 0.000) 1.530 3.671 ( -0.000 -6.119 -0.000) 6.119 3.732 ( -0.000 -1.614 -0.000) 1.614 3.758 ( 0.000 2.387 0.000) 2.387 3.895 ( 0.000 4.173 0.000) 4.173 4.019 ( -0.000 -2.025 -0.000) 2.025 4.084 ( 0.000 1.107 0.000) 1.107 4.311 ( 0.000 1.467 0.000) 1.467 4.331 ( -0.000 -3.176 -0.000) 3.176 ======================= Grid point 28 (18/114) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.478 ( 7.510 0.000 0.434) 7.522 0.539 ( 9.412 0.000 -3.545) 10.057 0.645 ( -2.487 -0.000 -3.209) 4.060 0.740 ( -5.153 -0.000 0.396) 5.168 0.802 ( -5.572 -0.000 1.307) 5.723 0.845 ( -3.638 -0.000 -1.718) 4.023 0.977 ( 4.068 0.000 3.742) 5.527 0.987 ( 0.221 0.000 -1.187) 1.207 1.126 ( 3.248 0.000 -0.895) 3.369 1.132 ( -2.151 -0.000 3.125) 3.793 1.255 ( -3.261 -0.000 2.223) 3.947 1.314 ( 14.680 0.000 0.732) 14.698 1.491 ( -3.226 -0.000 -0.901) 3.349 1.571 ( 1.613 0.000 1.326) 2.088 1.653 ( 1.660 0.000 -1.339) 2.132 1.746 ( -5.701 -0.000 1.216) 5.830 1.810 ( 3.161 0.000 0.560) 3.211 1.843 ( -7.258 -0.000 -2.851) 7.798 2.072 ( 3.795 0.000 -0.572) 3.838 2.079 ( 0.342 0.000 -2.543) 2.566 2.177 ( 5.860 0.000 -2.567) 6.398 2.209 ( -2.684 -0.000 1.035) 2.877 2.260 ( -4.250 -0.000 6.596) 7.846 2.282 ( 1.064 0.000 -3.078) 3.257 2.398 ( -3.237 -0.000 -1.374) 3.516 2.513 ( -4.700 -0.000 0.333) 4.712 2.609 ( 6.677 0.000 1.259) 6.795 2.633 ( 1.921 0.000 -0.301) 1.944 2.642 ( 0.442 0.000 1.440) 1.507 2.699 ( 0.792 0.000 1.527) 1.720 2.711 ( 0.811 0.000 0.269) 0.854 2.767 ( 1.255 0.000 0.492) 1.348 2.877 ( -5.963 -0.000 0.984) 6.043 2.953 ( -0.787 -0.000 -1.647) 1.825 2.973 ( -2.787 -0.000 1.010) 2.964 3.163 ( -4.767 -0.000 -3.816) 6.106 3.238 ( 1.922 0.000 1.320) 2.332 3.396 ( -0.009 -0.000 0.431) 0.431 3.526 ( 2.901 0.000 -0.950) 3.052 3.570 ( -0.267 -0.000 -0.835) 0.877 3.691 ( -1.657 -0.000 -2.351) 2.876 3.814 ( 2.916 0.000 8.439) 8.928 3.818 ( 0.386 0.000 -1.009) 1.080 3.920 ( -0.738 -0.000 3.467) 3.544 3.921 ( -0.721 -0.000 -5.300) 5.349 4.048 ( 1.583 0.000 -0.148) 1.590 4.121 ( 0.045 0.000 -0.923) 0.924 4.126 ( 0.218 0.000 -1.036) 1.059 ======================= Grid point 29 (19/114) ======================= q-point: ( 0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.569 ( 6.901 -2.782 0.917) 7.497 0.590 ( 2.170 -0.008 -1.884) 2.874 0.650 ( -1.935 -2.191 -2.076) 3.585 0.719 ( -3.823 -1.127 0.124) 3.987 0.781 ( -0.322 -2.265 -1.335) 2.649 0.817 ( -2.502 0.208 0.719) 2.612 0.967 ( 1.402 1.871 -0.140) 2.342 0.996 ( 2.916 1.137 1.816) 3.618 1.112 ( -0.684 0.956 1.604) 1.989 1.190 ( -4.678 -0.987 -2.953) 5.620 1.204 ( -2.181 -4.640 2.904) 5.892 1.457 ( 8.551 0.215 -1.025) 8.615 1.508 ( 4.227 -3.453 -0.242) 5.463 1.582 ( 1.977 -1.307 2.910) 3.753 1.696 ( -0.292 -2.491 1.257) 2.805 1.737 ( -3.358 -3.839 -0.429) 5.118 1.781 ( -5.747 -1.030 -2.005) 6.174 1.844 ( -0.856 -0.271 -0.616) 1.089 2.034 ( 0.732 5.168 -1.170) 5.349 2.090 ( 4.010 1.284 -1.225) 4.385 2.126 ( 2.132 2.792 -1.197) 3.712 2.201 ( -0.008 0.106 3.394) 3.396 2.259 ( -4.803 -0.796 -1.406) 5.067 2.326 ( -0.306 -2.151 1.838) 2.845 2.406 ( 0.551 -1.631 -1.286) 2.149 2.502 ( -1.716 -1.693 0.388) 2.441 2.589 ( 0.208 4.315 -2.132) 4.818 2.634 ( 2.549 2.345 3.165) 4.692 2.652 ( 0.347 2.677 -1.299) 2.996 2.688 ( 0.808 2.205 0.570) 2.417 2.706 ( 2.505 -0.637 1.052) 2.791 2.778 ( 0.790 0.163 1.100) 1.364 2.829 ( -5.801 0.299 -0.026) 5.809 2.926 ( 1.457 2.399 -0.253) 2.819 2.953 ( -1.914 -0.865 0.106) 2.103 3.096 ( -2.981 3.318 -2.034) 4.902 3.232 ( 0.864 2.044 0.535) 2.282 3.402 ( -0.240 -0.546 -0.016) 0.597 3.497 ( 1.465 3.364 -0.502) 3.703 3.562 ( 0.268 1.836 -0.214) 1.868 3.633 ( -0.502 3.724 -0.164) 3.762 3.788 ( 0.582 2.926 2.060) 3.625 3.848 ( 2.376 -1.272 -0.113) 2.697 3.892 ( -1.134 0.443 -0.840) 1.479 3.987 ( -0.799 -4.916 0.406) 4.997 4.060 ( 0.331 0.329 -0.002) 0.467 4.131 ( 0.369 -2.063 -0.394) 2.133 4.200 ( -0.649 -5.899 -0.296) 5.942 ======================= Grid point 30 (20/114) ======================= q-point: ( 0.62 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.582 ( 0.000 0.591 0.000) 0.591 0.628 ( -0.000 -0.248 -0.000) 0.248 0.672 ( 0.000 0.683 0.000) 0.683 0.740 ( -0.000 -2.724 -0.000) 2.724 0.792 ( -0.000 -1.754 -0.000) 1.754 0.855 ( -0.000 -2.106 -0.000) 2.106 0.961 ( 0.000 0.682 0.000) 0.682 1.000 ( -0.000 -2.775 -0.000) 2.775 1.119 ( -0.000 -0.732 -0.000) 0.732 1.136 ( 0.000 0.747 0.000) 0.747 1.339 ( -0.000 -8.061 -0.000) 8.061 1.482 ( 0.000 0.049 0.000) 0.049 1.528 ( -0.000 -2.409 -0.000) 2.409 1.725 ( -0.000 -2.875 -0.000) 2.875 1.738 ( -0.000 -1.644 -0.000) 1.644 1.761 ( -0.000 -0.054 -0.000) 0.054 1.785 ( -0.000 -3.126 -0.000) 3.126 1.818 ( -0.000 -1.500 -0.000) 1.500 1.982 ( 0.000 0.306 0.000) 0.306 2.059 ( 0.000 3.576 0.000) 3.576 2.098 ( 0.000 2.898 0.000) 2.898 2.215 ( 0.000 1.387 0.000) 1.387 2.235 ( -0.000 -0.293 -0.000) 0.293 2.324 ( 0.000 1.175 0.000) 1.175 2.412 ( 0.000 1.230 0.000) 1.230 2.507 ( 0.000 3.817 0.000) 3.817 2.543 ( -0.000 -3.151 -0.000) 3.151 2.559 ( 0.000 5.296 0.000) 5.296 2.634 ( 0.000 1.647 0.000) 1.647 2.667 ( 0.000 0.994 0.000) 0.994 2.673 ( 0.000 2.269 0.000) 2.269 2.753 ( 0.000 2.663 0.000) 2.663 2.791 ( 0.000 3.004 0.000) 3.004 2.909 ( -0.000 -0.186 -0.000) 0.186 2.982 ( -0.000 -0.066 -0.000) 0.066 3.051 ( -0.000 -2.125 -0.000) 2.125 3.198 ( 0.000 0.754 0.000) 0.754 3.406 ( -0.000 -0.052 -0.000) 0.052 3.448 ( 0.000 3.276 0.000) 3.276 3.533 ( 0.000 0.106 0.000) 0.106 3.560 ( 0.000 4.317 0.000) 4.317 3.751 ( 0.000 1.672 0.000) 1.672 3.848 ( 0.000 2.414 0.000) 2.414 3.917 ( -0.000 -3.556 -0.000) 3.556 4.024 ( 0.000 2.165 0.000) 2.165 4.060 ( -0.000 -1.999 -0.000) 1.999 4.197 ( -0.000 -4.526 -0.000) 4.526 4.284 ( -0.000 -3.520 -0.000) 3.520 ======================= Grid point 39 (21/114) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.568 ( -0.000 -0.000 -0.000) 0.000 0.593 ( 0.000 0.000 0.000) 0.000 0.632 ( 0.000 0.000 0.000) 0.000 0.693 ( 0.000 0.000 0.000) 0.000 0.736 ( 0.000 0.000 0.000) 0.000 0.816 ( 0.000 0.000 -0.000) 0.000 0.992 ( 0.000 0.000 0.000) 0.000 1.032 ( 0.000 0.000 0.000) 0.000 1.117 ( 0.000 0.000 0.000) 0.000 1.146 ( 0.000 0.000 0.000) 0.000 1.173 ( 0.000 0.000 0.000) 0.000 1.461 ( 0.000 0.000 0.000) 0.000 1.550 ( -0.000 -0.000 0.000) 0.000 1.580 ( 0.000 0.000 -0.000) 0.000 1.653 ( 0.000 0.000 0.000) 0.000 1.668 ( 0.000 0.000 0.000) 0.000 1.756 ( -0.000 -0.000 0.000) 0.000 1.829 ( 0.000 0.000 0.000) 0.000 2.091 ( 0.000 0.000 0.000) 0.000 2.122 ( 0.000 0.000 0.000) 0.000 2.170 ( 0.000 0.000 -0.000) 0.000 2.216 ( 0.000 0.000 0.000) 0.000 2.225 ( 0.000 0.000 0.000) 0.000 2.291 ( 0.000 0.000 0.000) 0.000 2.371 ( 0.000 0.000 0.000) 0.000 2.473 ( 0.000 0.000 0.000) 0.000 2.637 ( 0.000 0.000 0.000) 0.000 2.648 ( 0.000 0.000 0.000) 0.000 2.703 ( -0.000 -0.000 0.000) 0.000 2.720 ( 0.000 0.000 0.000) 0.000 2.724 ( 0.000 0.000 0.000) 0.000 2.780 ( 0.000 0.000 0.000) 0.000 2.785 ( -0.000 -0.000 0.000) 0.000 2.930 ( 0.000 0.000 0.000) 0.000 2.970 ( 0.000 0.000 0.000) 0.000 3.117 ( 0.000 0.000 0.000) 0.000 3.256 ( 0.000 0.000 0.000) 0.000 3.396 ( 0.000 0.000 0.000) 0.000 3.548 ( 0.000 0.000 0.000) 0.000 3.567 ( 0.000 0.000 0.000) 0.000 3.675 ( 0.000 0.000 0.000) 0.000 3.821 ( 0.000 0.000 0.000) 0.000 3.852 ( 0.000 0.000 -0.000) 0.000 3.903 ( 0.000 0.000 0.000) 0.000 3.916 ( 0.000 0.000 0.000) 0.000 4.060 ( 0.000 0.000 0.000) 0.000 4.120 ( 0.000 0.000 0.000) 0.000 4.126 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 69 (22/114) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.269 ( -1.291 -0.000 11.994) 12.063 0.285 ( 1.709 0.000 12.724) 12.838 0.600 ( -3.337 -0.000 26.894) 27.100 0.648 ( -1.655 -0.000 -0.409) 1.705 0.861 ( 9.891 0.000 -0.096) 9.891 0.921 ( 1.080 0.000 -1.386) 1.757 0.965 ( 3.324 0.000 -2.934) 4.433 1.017 ( -1.444 -0.000 0.226) 1.462 1.042 ( -2.191 -0.000 2.439) 3.279 1.123 ( -2.272 -0.000 2.906) 3.688 1.396 ( 5.427 0.000 7.637) 9.369 1.397 ( 6.025 0.000 -3.041) 6.749 1.461 ( -3.935 -0.000 1.546) 4.228 1.505 ( 1.393 0.000 4.152) 4.379 1.591 ( -2.612 -0.000 3.308) 4.215 1.687 ( 2.700 0.000 1.961) 3.337 1.759 ( 4.263 0.000 0.377) 4.279 1.856 ( -2.883 -0.000 -5.821) 6.496 1.884 ( -5.274 -0.000 3.477) 6.317 2.084 ( -1.777 -0.000 2.162) 2.799 2.135 ( -0.878 -0.000 0.340) 0.942 2.178 ( 0.313 0.000 -2.095) 2.119 2.223 ( 2.306 0.000 -2.210) 3.194 2.410 ( -1.226 -0.000 -3.772) 3.966 2.428 ( -5.076 -0.000 -0.401) 5.091 2.537 ( 3.615 0.000 -4.746) 5.966 2.543 ( 2.050 0.000 -3.686) 4.217 2.612 ( -2.432 -0.000 0.718) 2.536 2.625 ( 0.148 0.000 -2.861) 2.865 2.730 ( 0.465 0.000 0.817) 0.940 2.740 ( 1.327 0.000 5.881) 6.029 2.805 ( 0.293 0.000 1.868) 1.891 2.902 ( 0.712 0.000 -3.996) 4.059 3.027 ( 2.664 0.000 -1.051) 2.864 3.138 ( 1.753 0.000 2.186) 2.802 3.149 ( 0.075 0.000 0.966) 0.969 3.238 ( -0.295 -0.000 1.174) 1.211 3.317 ( -5.351 -0.000 -0.366) 5.363 3.366 ( -1.301 -0.000 -1.776) 2.201 3.504 ( 0.312 0.000 -7.573) 7.580 3.578 ( 5.961 0.000 -6.150) 8.565 3.793 ( 0.612 0.000 -5.397) 5.431 3.924 ( 1.130 0.000 4.362) 4.506 3.932 ( -4.603 -0.000 5.999) 7.561 4.011 ( 1.196 0.000 1.694) 2.074 4.045 ( 2.633 0.000 1.865) 3.227 4.121 ( -1.504 -0.000 1.519) 2.137 4.391 ( -6.341 -0.000 -2.230) 6.722 ======================= Grid point 70 (23/114) ======================= q-point: ( 0.12 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.327 ( 3.156 -5.844 7.045) 9.682 0.402 ( 4.998 -5.754 9.270) 12.001 0.593 ( -0.649 1.786 2.196) 2.904 0.742 ( -0.123 -7.435 11.812) 13.958 0.839 ( 5.436 6.033 2.838) 8.602 0.878 ( -0.120 2.523 -0.335) 2.548 0.977 ( 0.765 -2.034 -0.924) 2.361 1.023 ( -2.813 -1.264 1.810) 3.576 1.081 ( -2.398 2.254 3.847) 5.062 1.130 ( 1.130 -3.934 -2.585) 4.841 1.381 ( 1.371 3.134 0.002) 3.421 1.401 ( 2.027 0.812 2.732) 3.497 1.433 ( 2.763 -0.850 1.126) 3.103 1.553 ( 6.289 1.386 2.951) 7.084 1.597 ( -2.169 -0.971 2.461) 3.421 1.716 ( 1.681 -1.067 3.028) 3.624 1.760 ( -1.073 2.051 -4.467) 5.031 1.839 ( 4.601 -4.265 -1.293) 6.406 1.983 ( -0.762 -5.560 -2.151) 6.010 2.045 ( -2.994 0.620 2.727) 4.097 2.077 ( -1.844 2.784 -1.396) 3.620 2.190 ( -1.918 -0.256 -1.414) 2.396 2.240 ( 2.630 0.771 -2.271) 3.559 2.379 ( -5.179 0.511 0.700) 5.251 2.434 ( 2.021 -1.529 -4.229) 4.931 2.501 ( 1.485 5.623 -2.662) 6.396 2.533 ( 1.548 1.704 -3.157) 3.907 2.582 ( -1.126 1.774 0.329) 2.127 2.624 ( -0.162 -0.065 -0.819) 0.837 2.685 ( -0.990 2.055 3.823) 4.451 2.740 ( 0.861 1.729 4.347) 4.757 2.825 ( 0.249 -2.032 1.428) 2.496 2.876 ( 0.252 3.022 -2.323) 3.820 3.010 ( 1.555 1.228 -0.163) 1.988 3.113 ( -1.150 2.476 2.513) 3.710 3.185 ( 0.719 -0.516 1.143) 1.445 3.250 ( -2.215 0.550 -1.294) 2.624 3.286 ( -0.840 -0.822 -2.292) 2.576 3.346 ( -1.034 0.715 -1.452) 1.921 3.504 ( 0.169 -0.818 -7.090) 7.139 3.583 ( 5.461 3.315 -3.113) 7.106 3.827 ( 2.387 -2.609 -1.669) 3.910 3.839 ( -2.692 3.670 4.346) 6.293 3.882 ( -1.408 3.036 6.791) 7.571 4.000 ( 1.216 -0.037 2.716) 2.976 4.111 ( 0.920 -0.349 1.019) 1.416 4.130 ( -1.583 -2.252 0.346) 2.774 4.369 ( -6.743 -3.149 -2.735) 7.928 ======================= Grid point 71 (24/114) ======================= q-point: ( 0.25 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.455 ( 1.476 -4.166 2.346) 5.004 0.534 ( 3.929 -3.785 5.268) 7.584 0.553 ( 0.957 1.462 -1.922) 2.598 0.740 ( -1.553 2.631 -0.713) 3.137 0.809 ( 2.370 -0.593 0.910) 2.608 0.918 ( -1.111 1.626 2.693) 3.336 0.972 ( -1.951 0.992 -0.183) 2.197 1.042 ( -3.504 -0.330 0.709) 3.590 1.103 ( 4.820 -6.851 6.517) 10.613 1.183 ( 1.681 -3.954 -3.034) 5.260 1.372 ( -2.646 -2.489 -3.001) 4.712 1.418 ( 5.007 0.648 0.530) 5.076 1.503 ( 5.519 -0.178 1.460) 5.712 1.555 ( 1.818 0.984 -1.726) 2.693 1.611 ( -0.254 -2.551 2.543) 3.611 1.717 ( 2.408 3.329 -7.182) 8.274 1.742 ( -1.288 -0.984 3.069) 3.470 1.949 ( 1.864 -2.652 0.531) 3.285 1.976 ( -2.687 -0.763 1.820) 3.334 2.039 ( -0.847 -1.630 -1.724) 2.519 2.090 ( -0.646 -1.089 -1.541) 1.995 2.157 ( -2.432 1.695 0.225) 2.973 2.254 ( 3.919 -1.048 -3.825) 5.576 2.327 ( -1.663 2.880 1.393) 3.606 2.410 ( -0.897 3.269 -0.342) 3.407 2.426 ( -0.594 2.045 -4.449) 4.932 2.500 ( -0.474 3.107 -0.891) 3.267 2.567 ( 2.658 2.045 0.307) 3.368 2.606 ( -1.881 0.639 1.349) 2.402 2.685 ( 0.748 -1.361 1.531) 2.181 2.710 ( -0.908 0.694 2.076) 2.370 2.808 ( 0.440 3.849 0.120) 3.876 2.879 ( 1.670 -2.600 2.556) 4.010 2.966 ( -1.320 4.407 0.098) 4.601 3.109 ( -0.308 -2.084 3.420) 4.017 3.118 ( -3.881 5.778 -3.065) 7.606 3.212 ( 0.341 0.685 0.805) 1.111 3.321 ( 0.303 -1.931 -1.072) 2.230 3.343 ( -0.444 -1.046 -0.644) 1.306 3.514 ( 0.560 0.329 -1.536) 1.667 3.564 ( 2.516 1.412 -3.754) 4.735 3.766 ( -2.269 2.578 3.464) 4.878 3.852 ( -0.009 0.162 5.025) 5.027 3.917 ( 1.841 -3.853 -2.185) 4.797 3.982 ( 1.157 2.799 1.226) 3.268 4.094 ( -0.496 1.644 1.249) 2.123 4.176 ( -0.544 -3.235 -1.570) 3.636 4.366 ( -2.781 -0.614 -3.064) 4.183 ======================= Grid point 72 (25/114) ======================= q-point: ( 0.38 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.481 ( -1.195 -1.127 -0.454) 1.704 0.591 ( 2.449 -3.361 -0.468) 4.185 0.612 ( 1.411 -2.344 1.843) 3.298 0.728 ( 0.583 -1.019 0.767) 1.402 0.796 ( 1.392 4.537 2.949) 5.588 0.887 ( -5.247 2.968 -2.481) 6.519 0.922 ( 1.564 -2.551 0.448) 3.025 1.089 ( 0.722 -4.047 -1.265) 4.301 1.155 ( -1.011 0.049 -6.526) 6.604 1.291 ( 1.454 -3.179 -3.621) 5.032 1.420 ( 4.681 4.809 -4.474) 8.066 1.444 ( -0.384 -5.024 0.306) 5.048 1.502 ( 1.859 4.560 -2.627) 5.581 1.553 ( 3.188 -3.927 2.147) 5.495 1.685 ( -0.039 -1.110 0.881) 1.418 1.693 ( 4.004 -0.590 -5.197) 6.587 1.747 ( -1.946 -2.640 -0.391) 3.302 1.947 ( -2.322 -0.938 2.375) 3.451 2.004 ( 1.904 3.672 -1.621) 4.442 2.040 ( -2.220 0.638 0.395) 2.343 2.095 ( -5.009 -2.237 1.649) 5.728 2.131 ( 0.398 -2.772 0.793) 2.910 2.257 ( 0.955 2.618 0.391) 2.814 2.337 ( 5.080 -1.041 -3.750) 6.399 2.353 ( -1.907 1.880 1.555) 3.097 2.397 ( 0.411 0.133 -3.459) 3.486 2.430 ( -0.412 4.111 -0.718) 4.194 2.513 ( -0.851 2.817 1.843) 3.472 2.601 ( -0.855 -0.351 0.539) 1.070 2.685 ( 0.941 0.457 2.346) 2.568 2.707 ( -0.969 0.945 1.137) 1.768 2.798 ( -0.475 -0.596 -0.103) 0.769 2.873 ( -1.360 2.724 1.993) 3.639 2.937 ( 1.506 -1.700 3.010) 3.771 2.991 ( -1.562 4.551 -1.421) 5.017 3.119 ( 2.129 2.111 0.959) 3.148 3.233 ( -1.671 -2.296 -0.045) 2.839 3.342 ( -4.161 -2.952 1.046) 5.208 3.369 ( 2.313 -0.489 -0.978) 2.559 3.500 ( 2.159 2.568 4.938) 5.970 3.574 ( -1.684 -3.074 -4.699) 5.862 3.712 ( -0.092 2.697 0.235) 2.709 3.853 ( -1.288 0.190 3.801) 4.018 3.922 ( 2.352 3.694 0.873) 4.465 4.002 ( 0.375 -3.642 -2.323) 4.336 4.063 ( 0.067 1.699 0.233) 1.716 4.223 ( 0.186 -2.407 -3.187) 3.998 4.343 ( -1.000 1.164 -2.926) 3.305 ======================= Grid point 73 (26/114) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.509 ( -0.600 -2.083 0.553) 2.237 0.651 ( -0.464 -1.801 -0.603) 1.955 0.655 ( -0.378 -1.361 0.875) 1.661 0.732 ( -1.412 0.082 2.677) 3.027 0.749 ( -1.748 3.805 2.411) 4.832 0.829 ( 2.390 -2.710 -2.629) 4.468 0.972 ( 0.572 0.824 1.408) 1.729 1.095 ( 0.667 1.816 -2.461) 3.131 1.187 ( -0.384 -4.170 -11.033) 11.801 1.321 ( 3.012 2.259 -5.368) 6.556 1.349 ( -0.241 1.034 -4.471) 4.595 1.426 ( 0.978 3.956 -5.515) 6.858 1.491 ( 1.259 0.140 -0.628) 1.414 1.646 ( 0.801 -0.065 -4.159) 4.236 1.648 ( -1.917 -0.244 4.781) 5.157 1.760 ( -0.890 -1.474 -3.305) 3.727 1.828 ( 0.943 -4.425 -3.042) 5.452 1.894 ( 3.661 4.276 2.689) 6.239 1.964 ( -0.282 -0.134 1.315) 1.351 1.989 ( -5.549 1.170 1.428) 5.848 2.139 ( -1.482 -3.956 2.387) 4.853 2.170 ( -1.321 -1.184 -0.417) 1.822 2.233 ( 0.070 0.701 -0.005) 0.704 2.314 ( -0.045 0.190 2.630) 2.637 2.347 ( 0.291 2.934 -1.430) 3.277 2.384 ( 1.081 0.383 -1.402) 1.811 2.429 ( 3.404 -1.709 -1.161) 3.982 2.509 ( 0.537 -2.816 0.213) 2.874 2.591 ( 0.823 1.337 0.684) 1.713 2.675 ( 0.218 2.491 2.077) 3.250 2.701 ( -1.816 -1.241 2.342) 3.213 2.765 ( -0.884 1.155 -0.867) 1.693 2.860 ( -2.522 -0.825 0.700) 2.744 2.947 ( 0.255 0.960 1.735) 2.000 2.971 ( 2.102 -1.505 0.485) 2.630 3.107 ( 4.089 1.739 2.844) 5.275 3.237 ( -3.587 -1.378 -1.404) 4.091 3.359 ( -1.158 1.222 -0.312) 1.712 3.377 ( -1.453 -0.503 -1.509) 2.154 3.462 ( -1.067 1.033 5.822) 6.009 3.656 ( 0.899 -5.884 0.685) 5.992 3.671 ( 2.847 3.004 -2.213) 4.694 3.820 ( -1.881 1.816 2.553) 3.654 3.897 ( 0.132 0.395 -0.062) 0.421 4.032 ( -0.296 1.267 -0.805) 1.529 4.057 ( 0.849 -1.601 -1.017) 2.078 4.260 ( 0.338 -1.714 -4.275) 4.618 4.310 ( 0.300 1.613 -2.435) 2.936 ======================= Grid point 74 (27/114) ======================= q-point: (-0.38 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.525 ( -1.110 0.046 1.774) 2.094 0.590 ( -4.025 5.440 -1.291) 6.889 0.642 ( 0.079 3.508 0.232) 3.516 0.693 ( -3.702 -1.486 -0.127) 3.991 0.776 ( -0.229 -4.723 3.747) 6.033 0.908 ( -1.559 2.181 1.374) 3.012 0.947 ( 2.581 -5.132 1.068) 5.843 1.046 ( 2.753 5.480 -2.870) 6.771 1.266 ( 3.090 -2.951 -10.508) 11.344 1.292 ( 1.663 1.595 -3.650) 4.316 1.342 ( -5.503 -1.510 -3.903) 6.913 1.361 ( 2.319 4.653 -2.194) 5.643 1.470 ( 0.540 3.602 0.245) 3.650 1.561 ( -7.181 2.954 2.769) 8.244 1.656 ( 0.347 1.098 -3.287) 3.483 1.726 ( 0.828 1.410 -1.649) 2.322 1.802 ( -1.612 2.233 -0.126) 2.757 1.942 ( 1.721 1.080 -0.378) 2.066 1.964 ( -1.091 -0.707 3.582) 3.811 1.989 ( 0.130 -2.818 0.452) 2.857 2.167 ( 2.033 0.173 -1.442) 2.499 2.194 ( -4.252 -3.113 -0.807) 5.331 2.245 ( 3.447 -2.100 -1.210) 4.214 2.313 ( -0.333 -0.518 -0.341) 0.704 2.330 ( -2.386 -0.429 4.653) 5.247 2.396 ( 0.733 -1.641 -4.118) 4.493 2.501 ( 1.637 -3.439 2.365) 4.483 2.571 ( 1.023 -0.785 -2.043) 2.416 2.588 ( 3.048 -0.090 0.126) 3.052 2.630 ( -1.211 -0.223 2.669) 2.940 2.707 ( -0.938 0.213 2.137) 2.343 2.747 ( -0.820 -0.298 -0.507) 1.009 2.863 ( -0.245 -0.876 0.577) 1.078 2.920 ( -0.192 2.030 1.200) 2.366 3.062 ( 2.934 -5.323 -0.818) 6.133 3.116 ( 3.176 0.902 4.415) 5.513 3.246 ( -1.186 -1.251 -1.396) 2.218 3.273 ( -3.871 2.613 -1.073) 4.792 3.367 ( -1.251 0.630 -0.253) 1.424 3.480 ( -0.196 -1.834 4.331) 4.707 3.626 ( 1.909 3.724 -4.789) 6.360 3.761 ( 2.830 -2.010 2.217) 4.118 3.790 ( -2.104 -0.752 3.076) 3.802 3.904 ( -1.399 -2.253 -0.572) 2.713 4.003 ( -0.255 1.726 -0.955) 1.988 4.078 ( 0.129 -0.563 0.100) 0.586 4.252 ( -0.816 1.720 -3.297) 3.807 4.321 ( 2.682 -1.390 -2.530) 3.941 ======================= Grid point 75 (28/114) ======================= q-point: (-0.25 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.444 ( -2.720 6.646 1.992) 7.452 0.463 ( -4.449 5.593 3.247) 7.850 0.624 ( 0.948 -1.630 0.453) 1.940 0.689 ( -3.507 -1.559 -0.170) 3.841 0.837 ( -0.747 -1.590 0.512) 1.829 0.930 ( 0.671 -4.312 4.258) 6.098 0.969 ( 0.698 3.208 -0.861) 3.394 1.022 ( -0.713 0.257 0.763) 1.075 1.157 ( -4.390 10.585 7.516) 13.704 1.265 ( -2.185 2.979 -4.767) 6.031 1.279 ( 4.753 3.730 3.917) 7.201 1.391 ( 2.189 -0.814 -2.889) 3.715 1.401 ( -4.559 -2.321 -6.303) 8.118 1.551 ( -2.453 -2.975 -1.206) 4.040 1.615 ( 1.325 2.765 0.882) 3.191 1.734 ( -1.783 2.774 2.232) 3.982 1.747 ( 0.356 -1.812 -4.721) 5.069 1.891 ( 0.355 5.313 0.606) 5.359 1.978 ( 0.790 -0.963 0.204) 1.263 2.024 ( -2.306 -2.677 2.835) 4.530 2.170 ( 2.023 2.522 0.025) 3.233 2.193 ( -1.387 -0.290 -2.338) 2.734 2.293 ( -3.619 1.045 0.608) 3.816 2.346 ( 4.332 -3.825 -2.107) 6.151 2.366 ( 0.083 -5.365 -0.073) 5.367 2.436 ( -0.348 -2.382 -5.134) 5.671 2.522 ( -1.895 0.040 0.082) 1.898 2.587 ( -0.396 -1.053 0.705) 1.328 2.621 ( 3.547 -1.152 2.566) 4.527 2.667 ( -0.899 -1.363 5.103) 5.358 2.699 ( -1.009 0.487 -1.871) 2.181 2.767 ( 0.216 -3.575 0.093) 3.583 2.877 ( -0.560 2.195 1.343) 2.633 2.911 ( 3.444 -3.239 -1.039) 4.841 3.074 ( 1.033 3.014 2.535) 4.071 3.196 ( 5.417 -2.352 -0.454) 5.923 3.219 ( -2.050 -1.284 0.935) 2.593 3.299 ( -2.283 -3.118 -2.133) 4.414 3.355 ( -1.612 -2.102 -1.493) 3.041 3.508 ( -0.445 -1.071 2.444) 2.705 3.560 ( 0.116 3.827 -6.505) 7.548 3.777 ( 1.508 0.364 3.203) 3.559 3.803 ( 0.207 -0.276 1.555) 1.593 3.958 ( -0.353 -3.140 1.486) 3.491 3.965 ( -2.708 0.882 0.354) 2.870 4.087 ( 0.769 -0.091 0.814) 1.124 4.204 ( -0.798 2.651 -1.462) 3.131 4.369 ( 3.697 -1.223 -2.361) 4.553 ======================= Grid point 76 (29/114) ======================= q-point: (-0.12 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.311 ( -3.660 5.319 7.763) 10.097 0.343 ( -1.831 4.543 9.739) 10.901 0.640 ( -3.814 -0.453 0.851) 3.934 0.738 ( 1.711 -2.201 3.174) 4.225 0.781 ( -6.061 7.859 14.025) 17.182 0.886 ( -0.564 -1.881 -0.287) 1.984 0.951 ( 2.389 2.194 -1.040) 3.407 1.038 ( 3.044 1.292 -0.309) 3.321 1.072 ( -2.310 -3.141 6.064) 7.209 1.162 ( -1.561 5.178 -2.337) 5.892 1.303 ( 2.934 -0.997 1.990) 3.683 1.375 ( 3.228 0.620 2.185) 3.947 1.452 ( -2.525 -3.610 -2.387) 5.010 1.528 ( -5.053 0.872 2.634) 5.765 1.638 ( 2.311 -1.262 -0.343) 2.655 1.664 ( -1.734 2.940 4.608) 5.734 1.787 ( 2.069 3.527 0.421) 4.111 1.799 ( -2.050 -1.850 -3.015) 4.089 2.000 ( -0.903 1.083 -1.936) 2.395 2.062 ( -0.666 -2.337 3.566) 4.315 2.108 ( -1.828 1.000 -0.935) 2.284 2.195 ( 2.201 1.040 -0.735) 2.543 2.245 ( -2.281 1.642 -2.015) 3.458 2.423 ( -0.230 -1.165 -2.385) 2.664 2.439 ( 1.153 -1.446 -2.561) 3.159 2.484 ( -0.120 -4.889 -2.226) 5.373 2.513 ( -0.685 -0.766 -3.577) 3.721 2.615 ( -0.474 -1.716 -0.819) 1.959 2.624 ( -1.447 0.508 1.884) 2.429 2.681 ( 0.579 -1.758 4.228) 4.615 2.714 ( 1.599 -1.042 3.388) 3.889 2.811 ( 1.181 0.855 1.326) 1.971 2.876 ( 0.378 -2.543 -2.980) 3.936 2.977 ( 2.299 -1.078 -0.482) 2.585 3.090 ( 2.763 -3.153 1.656) 4.508 3.180 ( 0.725 2.632 1.449) 3.091 3.259 ( -1.683 0.064 -0.675) 1.814 3.328 ( -0.625 -2.375 -0.121) 2.459 3.387 ( -3.936 -1.048 -2.229) 4.643 3.504 ( 1.540 0.816 -8.261) 8.443 3.531 ( 1.010 -1.449 -2.638) 3.175 3.781 ( 3.508 0.543 -0.934) 3.671 3.847 ( -0.619 -4.427 5.363) 6.982 3.929 ( -3.554 -0.733 3.003) 4.710 3.990 ( -1.000 0.081 3.579) 3.717 4.089 ( 1.751 1.439 0.423) 2.306 4.150 ( -1.131 2.150 0.428) 2.467 4.408 ( 3.262 -0.006 -2.597) 4.170 ======================= Grid point 78 (30/114) ======================= q-point: ( 0.12 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.317 ( 4.440 0.000 9.002) 10.038 0.352 ( 3.411 0.000 11.938) 12.416 0.627 ( -0.814 -0.000 -0.804) 1.144 0.736 ( 13.369 0.000 18.371) 22.721 0.904 ( -2.792 -0.000 -3.320) 4.338 0.939 ( 0.361 0.000 -1.640) 1.680 0.965 ( -5.304 -0.000 -1.058) 5.409 0.992 ( 1.708 0.000 1.694) 2.405 1.067 ( 3.395 0.000 -0.523) 3.436 1.090 ( -2.792 -0.000 7.474) 7.979 1.341 ( -5.970 -0.000 5.263) 7.959 1.412 ( -1.234 -0.000 -1.288) 1.784 1.509 ( 0.674 0.000 0.027) 0.674 1.612 ( 6.218 0.000 3.863) 7.321 1.657 ( 6.689 0.000 -1.825) 6.934 1.704 ( 1.624 0.000 -3.426) 3.791 1.797 ( -2.868 -0.000 3.566) 4.576 1.839 ( 2.988 0.000 -4.126) 5.095 1.871 ( 6.024 0.000 0.595) 6.054 2.029 ( -5.077 -0.000 1.261) 5.231 2.104 ( -2.236 -0.000 -2.098) 3.066 2.164 ( -0.981 -0.000 -3.135) 3.285 2.296 ( 6.486 0.000 1.065) 6.573 2.341 ( -4.829 -0.000 1.454) 5.043 2.413 ( 0.948 0.000 -6.128) 6.201 2.543 ( -1.485 -0.000 -4.487) 4.726 2.556 ( -0.303 -0.000 -3.046) 3.061 2.605 ( 1.756 0.000 -0.517) 1.831 2.624 ( 0.102 0.000 -2.305) 2.307 2.722 ( -1.295 -0.000 0.333) 1.337 2.752 ( -1.148 -0.000 7.315) 7.405 2.808 ( 0.057 0.000 1.564) 1.565 2.910 ( 0.867 0.000 -2.987) 3.110 3.032 ( -1.740 -0.000 -0.149) 1.747 3.120 ( -4.053 -0.000 0.690) 4.112 3.177 ( 2.377 0.000 0.995) 2.577 3.231 ( -5.027 -0.000 -3.137) 5.925 3.266 ( 3.257 0.000 -0.839) 3.363 3.375 ( 2.928 0.000 -2.287) 3.715 3.493 ( 0.135 0.000 -7.292) 7.293 3.670 ( 6.148 0.000 -4.460) 7.595 3.776 ( -1.114 -0.000 -3.644) 3.810 3.877 ( -3.344 -0.000 7.645) 8.345 3.973 ( 3.843 0.000 3.205) 5.004 4.034 ( 0.969 0.000 2.027) 2.247 4.069 ( -0.536 -0.000 2.007) 2.077 4.101 ( -1.323 -0.000 0.942) 1.625 4.216 ( -11.410 -0.000 6.016) 12.899 ======================= Grid point 79 (31/114) ======================= q-point: ( 0.25 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.406 ( 5.031 -3.502 5.169) 8.018 0.465 ( 2.462 -6.849 5.254) 8.976 0.620 ( 2.257 1.193 0.441) 2.591 0.761 ( -0.092 3.945 1.276) 4.147 0.843 ( -3.329 4.726 -0.287) 5.788 0.921 ( -0.177 -1.442 0.277) 1.479 0.980 ( -0.052 -1.436 -0.012) 1.437 1.035 ( 4.054 -0.540 7.125) 8.215 1.055 ( 2.500 -0.533 9.441) 9.781 1.140 ( 1.207 -3.329 -3.598) 5.048 1.304 ( -5.419 -0.568 3.254) 6.346 1.423 ( -2.547 -1.960 -0.422) 3.241 1.512 ( 2.300 -1.505 -0.078) 2.750 1.605 ( 0.205 2.961 0.681) 3.045 1.664 ( 7.575 2.545 0.077) 7.991 1.723 ( 0.404 0.442 2.687) 2.753 1.771 ( 3.454 0.241 -3.435) 4.878 1.897 ( 2.556 -3.504 1.307) 4.530 1.946 ( -5.192 -0.459 -1.284) 5.368 2.022 ( 1.324 -3.039 -0.423) 3.342 2.037 ( -2.370 2.820 -1.317) 3.912 2.174 ( 0.836 -0.465 -3.285) 3.422 2.309 ( 4.948 2.167 -1.282) 5.552 2.317 ( -2.449 0.027 0.725) 2.554 2.432 ( -1.400 -0.186 -3.307) 3.596 2.510 ( 0.153 3.981 -4.347) 5.897 2.531 ( -0.235 0.109 -2.356) 2.371 2.600 ( 2.439 1.571 -0.247) 2.912 2.617 ( -0.433 0.500 -1.040) 1.232 2.670 ( -1.277 2.262 1.656) 3.081 2.753 ( -0.138 1.681 5.392) 5.650 2.822 ( -0.712 -2.101 1.623) 2.748 2.879 ( 0.440 2.515 -1.026) 2.752 3.014 ( -0.958 0.821 -0.438) 1.336 3.064 ( -5.457 0.576 2.735) 6.132 3.164 ( -4.585 3.120 -3.859) 6.756 3.215 ( 0.167 -1.236 1.643) 2.063 3.300 ( 1.925 -0.506 -3.562) 4.080 3.372 ( 4.214 2.156 -1.198) 4.883 3.493 ( 0.004 -0.528 -6.580) 6.601 3.656 ( 3.768 4.017 -1.383) 5.679 3.789 ( -2.798 0.495 0.398) 2.869 3.861 ( 2.058 -1.929 2.963) 4.091 3.896 ( 0.252 4.817 5.694) 7.462 4.028 ( 1.670 0.329 2.144) 2.738 4.101 ( -2.324 -2.456 0.893) 3.497 4.123 ( 0.368 0.240 1.579) 1.639 4.259 ( -5.669 -7.579 -0.827) 9.501 ======================= Grid point 80 (32/114) ======================= q-point: ( 0.38 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.467 ( 0.125 -0.438 2.132) 2.180 0.569 ( 2.667 -1.597 -2.620) 4.065 0.624 ( 4.688 0.510 4.366) 6.426 0.732 ( 1.381 -0.673 -1.775) 2.348 0.799 ( -3.438 -2.638 -2.375) 4.942 0.896 ( -3.055 3.325 2.139) 4.997 0.952 ( 1.332 3.165 2.397) 4.188 1.015 ( -1.251 -2.778 0.316) 3.063 1.161 ( 0.212 0.211 -0.454) 0.544 1.231 ( 2.024 -3.506 -2.597) 4.810 1.325 ( 0.492 -6.383 5.389) 8.368 1.443 ( -0.101 -2.810 -2.914) 4.050 1.543 ( -2.078 0.541 -0.252) 2.162 1.611 ( 5.230 -0.610 -1.143) 5.388 1.673 ( 6.086 1.513 1.034) 6.355 1.718 ( -1.567 0.615 3.156) 3.577 1.769 ( 5.964 3.351 -6.444) 9.398 1.894 ( -5.979 -0.290 0.323) 5.995 1.972 ( 0.724 -2.860 1.158) 3.170 2.010 ( -2.197 -3.138 -0.865) 3.927 2.072 ( -1.857 -1.168 3.415) 4.059 2.161 ( 1.996 3.671 -4.093) 5.849 2.292 ( -2.053 1.212 1.102) 2.626 2.332 ( 4.487 -1.290 -2.680) 5.384 2.399 ( 0.543 2.257 -2.384) 3.327 2.434 ( 1.727 3.367 -2.471) 4.519 2.493 ( -0.013 3.447 -0.963) 3.579 2.577 ( -1.118 3.832 0.791) 4.069 2.600 ( 0.506 1.097 -0.071) 1.210 2.665 ( -2.245 -2.611 -1.685) 3.834 2.713 ( -0.604 2.425 3.065) 3.955 2.812 ( 0.750 0.856 1.510) 1.891 2.906 ( 0.404 -2.015 0.380) 2.090 2.932 ( -3.167 3.960 3.126) 5.957 3.046 ( -4.122 4.571 -2.195) 6.535 3.097 ( -1.554 -4.831 2.795) 5.794 3.216 ( -1.241 0.727 1.936) 2.412 3.300 ( 1.077 0.737 -3.476) 3.713 3.387 ( 3.885 0.109 -0.677) 3.945 3.503 ( -0.781 -1.753 -5.055) 5.407 3.597 ( 0.973 4.748 1.827) 5.179 3.758 ( 1.101 1.623 0.989) 2.196 3.852 ( -1.045 0.953 5.202) 5.391 3.935 ( 0.634 -3.723 -1.549) 4.082 4.006 ( 1.469 3.225 1.411) 3.815 4.088 ( -0.614 1.143 1.197) 1.765 4.168 ( -0.018 -3.464 -1.422) 3.744 4.316 ( -2.702 -2.727 -2.510) 4.587 ======================= Grid point 81 (33/114) ======================= q-point: ( 0.50 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.477 ( 1.154 -1.482 -0.338) 1.908 0.620 ( 2.019 -2.547 -1.309) 3.504 0.653 ( 3.118 0.479 2.549) 4.056 0.732 ( -3.255 3.594 1.681) 5.132 0.797 ( 2.582 -2.549 -2.139) 4.212 0.860 ( 0.810 4.888 0.818) 5.022 0.935 ( 0.023 -4.388 -0.929) 4.486 1.093 ( -3.415 -0.588 -5.213) 6.260 1.115 ( 0.988 -2.164 1.058) 2.604 1.265 ( -4.342 -2.585 -4.522) 6.781 1.417 ( -0.755 -2.001 -1.677) 2.717 1.476 ( 2.493 1.680 -8.003) 8.549 1.527 ( -0.142 5.109 -2.613) 5.740 1.611 ( 4.775 -3.600 2.926) 6.658 1.672 ( -2.606 1.873 1.520) 3.551 1.737 ( 1.901 -1.212 -3.383) 4.066 1.797 ( 9.159 -0.949 -3.815) 9.967 1.881 ( -4.850 -2.873 0.422) 5.653 2.010 ( -0.987 1.047 0.756) 1.626 2.034 ( 0.922 4.383 3.219) 5.515 2.054 ( -0.925 -2.856 2.087) 3.657 2.124 ( -1.140 -1.527 -1.039) 2.171 2.250 ( -1.370 1.688 0.433) 2.217 2.349 ( 1.196 2.268 0.802) 2.686 2.384 ( 1.182 0.161 -0.362) 1.247 2.418 ( -0.187 2.834 -2.417) 3.730 2.457 ( 5.464 0.153 -3.450) 6.464 2.497 ( -0.985 2.720 1.284) 3.165 2.590 ( -0.551 -1.183 -0.314) 1.342 2.663 ( -3.683 0.418 1.247) 3.911 2.704 ( 0.358 -1.582 1.383) 2.131 2.785 ( -1.090 3.472 1.600) 3.975 2.847 ( -2.779 1.237 1.836) 3.553 2.942 ( -1.481 -1.052 1.304) 2.236 2.973 ( -0.268 1.102 -0.311) 1.176 3.155 ( -0.891 0.709 4.629) 4.767 3.205 ( 1.043 -1.790 -1.199) 2.393 3.308 ( 0.222 -1.820 -1.113) 2.145 3.404 ( 2.031 0.926 -1.736) 2.828 3.508 ( -2.124 3.900 2.465) 5.079 3.556 ( 0.779 -4.411 -0.546) 4.513 3.743 ( 3.122 2.361 -0.373) 3.932 3.830 ( -2.227 0.966 4.086) 4.753 3.945 ( 0.653 3.278 -0.339) 3.360 3.997 ( -0.679 -2.410 -0.964) 2.683 4.072 ( 0.862 0.778 0.011) 1.162 4.221 ( 0.355 -2.516 -3.391) 4.237 4.321 ( -1.100 -0.062 -2.651) 2.871 ======================= Grid point 82 (34/114) ======================= q-point: (-0.38 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.522 ( 2.149 -0.709 0.102) 2.265 0.632 ( -2.304 0.244 -1.047) 2.543 0.646 ( -1.233 2.285 0.541) 2.652 0.696 ( -0.117 -0.501 2.721) 2.769 0.774 ( 2.857 4.241 1.715) 5.394 0.886 ( 3.555 -3.912 -1.922) 5.624 0.949 ( -2.616 3.245 1.934) 4.594 1.089 ( -0.197 -4.832 -5.516) 7.335 1.195 ( 2.497 -1.546 -5.558) 6.287 1.249 ( -7.518 -1.653 -2.886) 8.220 1.362 ( 0.590 4.112 -7.109) 8.234 1.434 ( 0.352 2.137 -3.199) 3.863 1.514 ( 2.091 -0.067 -5.244) 5.646 1.607 ( -2.086 3.950 0.009) 4.467 1.675 ( 2.252 0.568 0.005) 2.323 1.743 ( -0.363 0.056 -1.384) 1.432 1.837 ( 0.519 2.800 -1.262) 3.115 1.907 ( -2.440 -2.573 0.815) 3.638 1.978 ( -0.604 2.622 0.835) 2.817 2.005 ( 8.416 -0.845 1.140) 8.535 2.091 ( -3.566 -3.362 0.111) 4.902 2.154 ( -1.099 -1.633 0.454) 2.021 2.239 ( 1.155 -0.760 -0.583) 1.500 2.312 ( -1.575 1.130 2.062) 2.830 2.358 ( 2.106 3.433 -0.956) 4.140 2.394 ( 0.282 0.213 -1.199) 1.250 2.467 ( 0.642 -1.306 3.128) 3.450 2.518 ( 0.865 -2.797 -2.308) 3.729 2.632 ( -3.326 0.656 0.490) 3.425 2.634 ( 1.489 -1.311 0.065) 1.985 2.683 ( -1.193 1.552 5.517) 5.854 2.763 ( -0.857 0.488 -0.890) 1.329 2.829 ( 0.726 -1.462 1.111) 1.974 2.942 ( -1.311 0.695 1.661) 2.228 2.985 ( -0.733 -3.558 -0.257) 3.642 3.123 ( -2.844 -0.341 1.863) 3.417 3.236 ( 3.578 1.437 -0.145) 3.858 3.347 ( 0.055 1.045 -0.565) 1.189 3.362 ( 0.317 2.010 -1.449) 2.498 3.462 ( -0.281 -0.076 4.810) 4.818 3.674 ( 0.816 -6.851 0.814) 6.948 3.709 ( 1.425 3.184 -1.822) 3.935 3.794 ( -1.304 1.319 2.650) 3.235 3.900 ( 0.097 2.076 0.134) 2.082 4.015 ( -1.135 -0.519 -1.027) 1.616 4.071 ( 0.676 0.102 -0.833) 1.077 4.253 ( -0.001 -0.814 -4.753) 4.822 4.314 ( 0.588 -0.380 -2.113) 2.226 ======================= Grid point 83 (35/114) ======================= q-point: (-0.25 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.524 ( -0.374 1.563 0.315) 1.638 0.545 ( -0.723 5.697 -0.256) 5.749 0.614 ( -2.907 1.745 0.376) 3.411 0.679 ( 1.335 0.947 2.457) 2.953 0.803 ( 2.276 -2.050 0.807) 3.168 0.861 ( -3.274 -0.397 3.336) 4.691 1.003 ( 4.085 -3.364 -2.133) 5.706 1.072 ( 1.047 5.761 -2.550) 6.386 1.195 ( -9.188 -1.527 -2.946) 9.769 1.272 ( 0.215 -1.323 -6.614) 6.749 1.341 ( 2.540 -0.367 -3.217) 4.116 1.387 ( 1.865 4.156 2.415) 5.156 1.471 ( 0.070 6.532 -3.574) 7.447 1.514 ( 0.127 0.839 1.054) 1.354 1.671 ( 1.368 1.118 -5.270) 5.558 1.731 ( -0.757 0.476 -0.887) 1.260 1.773 ( -1.151 3.322 2.029) 4.059 1.936 ( -0.633 -1.695 2.921) 3.436 1.958 ( 0.961 -0.049 -1.224) 1.557 2.046 ( 3.883 3.326 -0.389) 5.127 2.119 ( -4.486 -3.271 -1.507) 5.753 2.186 ( 1.306 -2.920 -1.225) 3.426 2.264 ( -3.103 -0.537 0.569) 3.200 2.308 ( -0.004 -0.117 -0.360) 0.379 2.343 ( 4.856 -1.468 1.656) 5.336 2.402 ( 0.785 -1.219 -3.484) 3.773 2.500 ( -2.519 -1.338 1.517) 3.230 2.550 ( -3.696 -0.798 0.145) 3.784 2.623 ( 2.687 -2.423 1.661) 3.981 2.654 ( 1.089 -0.664 2.199) 2.542 2.693 ( -3.422 -2.522 2.709) 5.040 2.720 ( 1.947 2.756 0.074) 3.375 2.891 ( 2.946 -2.465 1.053) 3.983 2.911 ( -1.198 1.816 1.434) 2.606 3.062 ( -2.456 -5.688 -1.056) 6.286 3.159 ( -1.018 -5.099 -1.317) 5.364 3.192 ( -0.359 3.966 1.102) 4.132 3.295 ( 4.192 3.224 0.477) 5.310 3.362 ( 0.435 0.732 0.707) 1.107 3.481 ( -0.814 -1.367 3.633) 3.966 3.630 ( -0.648 4.276 -4.737) 6.414 3.772 ( -0.775 -0.489 2.406) 2.575 3.815 ( 3.321 -3.804 1.398) 5.240 3.874 ( -2.306 -0.870 1.657) 2.970 3.996 ( -0.048 1.991 -2.122) 2.911 4.078 ( -0.306 -0.872 0.310) 0.974 4.236 ( -0.471 1.685 -3.596) 3.999 4.350 ( 1.553 -2.329 -2.698) 3.888 ======================= Grid point 84 (36/114) ======================= q-point: (-0.12 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.428 ( 0.557 5.858 2.801) 6.517 0.460 ( 2.714 7.069 4.414) 8.764 0.590 ( -3.871 -1.753 -0.526) 4.282 0.712 ( 4.510 -2.435 2.982) 5.929 0.808 ( -2.494 -1.137 -1.490) 3.120 0.935 ( -1.532 0.104 4.120) 4.397 0.971 ( 0.371 0.446 4.177) 4.217 1.040 ( 3.047 4.063 0.180) 5.081 1.131 ( -4.924 3.634 -0.939) 6.192 1.167 ( -2.226 2.969 1.198) 3.899 1.330 ( 2.333 1.814 -1.754) 3.436 1.401 ( 4.265 -0.999 0.425) 4.401 1.432 ( 1.326 1.578 1.053) 2.315 1.524 ( 0.804 -0.179 -1.613) 1.811 1.649 ( -1.427 1.593 -1.845) 2.824 1.697 ( 0.191 0.228 0.768) 0.824 1.751 ( 0.051 -0.238 -2.204) 2.218 1.908 ( 2.294 5.281 -0.983) 5.841 1.987 ( 0.074 -1.655 2.169) 2.730 2.027 ( 1.641 -0.435 0.680) 1.829 2.127 ( -3.414 0.357 -3.402) 4.833 2.207 ( -1.663 1.046 1.032) 2.219 2.237 ( -1.443 -0.044 -2.047) 2.505 2.343 ( -1.167 -5.452 1.023) 5.669 2.428 ( 1.008 -0.992 -3.748) 4.006 2.434 ( 2.155 -1.588 -1.743) 3.194 2.483 ( -0.475 -1.520 -0.533) 1.679 2.560 ( -2.223 -2.234 0.344) 3.170 2.641 ( -2.803 0.577 2.759) 3.975 2.672 ( 0.568 0.105 2.810) 2.869 2.699 ( 1.875 -1.304 2.045) 3.066 2.787 ( 2.034 -4.976 -0.736) 5.426 2.867 ( -0.568 2.057 1.365) 2.533 2.960 ( 2.287 -3.090 -0.189) 3.849 3.094 ( 1.042 1.408 2.630) 3.160 3.175 ( -2.929 -3.043 -1.519) 4.489 3.231 ( -2.663 -3.792 -0.408) 4.651 3.286 ( 2.925 0.986 -1.718) 3.532 3.358 ( 0.669 0.408 1.059) 1.317 3.502 ( -0.252 -1.811 2.061) 2.755 3.553 ( 0.621 3.175 -7.697) 8.349 3.787 ( -0.683 -1.853 4.514) 4.927 3.833 ( 2.000 1.341 1.896) 3.064 3.913 ( -2.177 -0.027 0.387) 2.211 3.968 ( 0.583 -1.132 0.509) 1.371 4.096 ( 0.116 -1.030 1.145) 1.545 4.189 ( -0.768 2.760 -1.737) 3.350 4.396 ( 0.098 -1.750 -3.314) 3.749 ======================= Grid point 87 (37/114) ======================= q-point: ( 0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.412 ( 6.091 0.000 4.728) 7.711 0.436 ( 5.427 0.000 8.069) 9.724 0.622 ( 0.210 0.000 -0.476) 0.520 0.833 ( -6.130 -0.000 -1.523) 6.316 0.869 ( -5.204 -0.000 -1.591) 5.441 0.876 ( -1.831 -0.000 0.378) 1.870 0.963 ( 5.289 0.000 2.370) 5.796 1.061 ( -2.647 -0.000 7.463) 7.919 1.087 ( 2.923 0.000 3.718) 4.729 1.134 ( 13.186 0.000 4.438) 13.913 1.271 ( -4.469 -0.000 4.151) 6.099 1.379 ( -3.911 -0.000 0.247) 3.919 1.501 ( -0.720 -0.000 0.295) 0.778 1.589 ( -5.777 -0.000 -1.618) 5.999 1.707 ( 0.837 0.000 4.308) 4.388 1.768 ( 2.287 0.000 2.806) 3.619 1.804 ( 5.998 0.000 -2.367) 6.448 1.856 ( -2.220 -0.000 -3.791) 4.393 1.979 ( -0.761 -0.000 0.938) 1.208 1.984 ( 6.254 0.000 -1.941) 6.548 2.081 ( 0.950 0.000 -0.868) 1.287 2.149 ( -0.357 -0.000 -4.076) 4.091 2.289 ( -2.112 -0.000 0.779) 2.251 2.393 ( -2.248 -0.000 -4.967) 5.452 2.399 ( 4.534 0.000 3.906) 5.984 2.509 ( -1.774 -0.000 -4.721) 5.044 2.526 ( -1.647 -0.000 -3.904) 4.238 2.622 ( 0.485 0.000 -1.933) 1.993 2.644 ( 2.979 0.000 -2.366) 3.805 2.703 ( -0.808 -0.000 -0.704) 1.072 2.738 ( -1.595 -0.000 6.711) 6.897 2.817 ( 0.391 0.000 4.206) 4.224 2.915 ( 0.332 0.000 -2.121) 2.147 2.985 ( -4.233 -0.000 0.284) 4.243 3.038 ( -5.936 -0.000 -0.179) 5.939 3.158 ( -3.648 -0.000 -3.342) 4.948 3.204 ( 1.000 0.000 -0.965) 1.390 3.312 ( 2.551 0.000 -3.317) 4.184 3.434 ( 4.720 0.000 -1.977) 5.117 3.492 ( 1.369 0.000 -5.617) 5.782 3.720 ( 0.581 0.000 -1.921) 2.007 3.760 ( -0.101 -0.000 -3.364) 3.366 3.876 ( 1.733 0.000 6.246) 6.482 4.010 ( -6.479 -0.000 5.212) 8.315 4.029 ( 0.772 0.000 1.497) 1.685 4.042 ( 0.907 0.000 5.234) 5.311 4.091 ( 0.390 0.000 -1.264) 1.323 4.139 ( -1.038 -0.000 3.033) 3.206 ======================= Grid point 88 (38/114) ======================= q-point: ( 0.38 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.481 ( 3.832 0.471 3.988) 5.551 0.527 ( 5.090 -5.612 0.128) 7.577 0.647 ( 1.099 -1.959 1.707) 2.821 0.741 ( -3.072 2.824 -1.874) 4.574 0.783 ( -2.019 3.706 0.567) 4.258 0.885 ( -3.006 -2.434 0.086) 3.869 0.988 ( 1.025 2.087 0.469) 2.372 1.029 ( -1.044 2.002 5.898) 6.315 1.135 ( 0.734 -3.262 -1.630) 3.720 1.216 ( -2.866 1.788 1.771) 3.814 1.283 ( 7.910 -2.195 5.689) 9.987 1.373 ( -1.888 -4.000 1.010) 4.537 1.487 ( -2.589 -0.818 1.085) 2.924 1.612 ( 1.790 -3.477 -1.368) 4.143 1.696 ( -2.655 0.260 2.716) 3.807 1.781 ( 5.307 1.866 1.572) 5.840 1.849 ( 3.548 -0.510 0.740) 3.660 1.860 ( -3.442 -1.053 -4.221) 5.548 1.933 ( 1.106 0.789 1.422) 1.966 2.005 ( -0.093 4.131 -1.393) 4.360 2.053 ( 2.097 -0.429 -0.556) 2.211 2.195 ( 1.379 -1.204 -3.454) 3.909 2.276 ( -2.474 -0.042 0.775) 2.593 2.359 ( 1.383 0.674 -3.132) 3.489 2.416 ( -2.015 -0.589 1.058) 2.351 2.490 ( 0.045 2.221 -4.375) 4.907 2.530 ( 0.462 -0.573 -2.722) 2.820 2.610 ( 0.112 1.607 -1.479) 2.187 2.634 ( 1.829 2.317 -2.886) 4.128 2.661 ( 0.091 2.626 0.532) 2.681 2.755 ( -0.452 0.908 4.877) 4.981 2.823 ( 0.261 -0.785 3.140) 3.247 2.886 ( 0.685 1.499 -0.947) 1.901 2.960 ( -7.562 1.801 1.245) 7.872 2.990 ( -2.548 -2.813 0.889) 3.898 3.098 ( -2.464 3.525 -2.245) 4.852 3.213 ( -0.465 -0.187 -1.120) 1.227 3.327 ( 1.903 0.002 -4.244) 4.651 3.443 ( 4.747 2.159 -0.571) 5.246 3.490 ( 0.940 0.842 -4.583) 4.754 3.681 ( -0.376 3.695 0.551) 3.754 3.768 ( 0.085 -0.825 -1.871) 2.047 3.892 ( -1.720 2.422 4.050) 5.023 3.904 ( 2.447 0.745 3.676) 4.478 4.052 ( 0.830 0.976 2.323) 2.653 4.064 ( -2.493 -3.132 1.208) 4.181 4.132 ( 0.600 -0.121 1.591) 1.704 4.203 ( -1.676 -7.042 -1.086) 7.320 ======================= Grid point 89 (39/114) ======================= q-point: ( 0.50 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.486 ( 2.276 0.962 0.704) 2.570 0.605 ( 2.808 -0.956 -2.781) 4.066 0.699 ( 4.043 0.245 4.298) 5.906 0.737 ( -2.336 -1.807 -2.449) 3.837 0.762 ( 0.974 -3.446 -1.153) 3.763 0.869 ( 0.042 2.278 1.073) 2.518 0.976 ( -0.887 3.248 3.945) 5.187 1.006 ( 1.351 -4.156 -1.471) 4.611 1.130 ( -3.800 3.131 1.291) 5.090 1.182 ( -4.398 -2.458 -4.026) 6.449 1.347 ( -1.402 -3.624 0.390) 3.905 1.466 ( 1.063 -3.005 -3.160) 4.488 1.540 ( 3.260 -3.557 2.158) 5.285 1.651 ( -0.916 -0.170 0.669) 1.147 1.668 ( 1.104 2.896 -1.200) 3.323 1.775 ( 3.568 1.484 0.206) 3.870 1.830 ( -2.473 1.139 -1.038) 2.914 1.868 ( 4.861 0.886 -3.203) 5.889 1.970 ( -1.246 -4.001 1.350) 4.402 1.997 ( 1.823 -1.649 3.580) 4.343 2.066 ( 1.190 -0.323 0.340) 1.279 2.162 ( -0.541 3.658 -4.350) 5.709 2.256 ( -2.789 0.054 1.136) 3.012 2.392 ( 3.500 -0.251 0.119) 3.511 2.415 ( -0.074 1.179 -0.778) 1.414 2.437 ( -0.159 1.696 -3.250) 3.670 2.503 ( 1.329 2.249 -2.090) 3.345 2.559 ( -1.635 3.523 -0.055) 3.884 2.595 ( -0.539 3.042 -3.713) 4.830 2.641 ( 0.379 -0.857 -0.072) 0.940 2.706 ( -0.003 3.146 1.787) 3.618 2.830 ( -0.287 0.106 2.656) 2.674 2.853 ( -5.882 3.695 1.986) 7.225 2.903 ( -1.229 -1.674 0.225) 2.089 3.013 ( -0.097 2.836 0.076) 2.839 3.081 ( -0.987 -6.669 3.596) 7.641 3.193 ( -1.125 1.150 -0.375) 1.652 3.333 ( 2.802 0.958 -3.253) 4.399 3.439 ( 2.537 1.735 -1.421) 3.386 3.486 ( -0.186 -1.039 -2.058) 2.313 3.598 ( -0.739 4.599 1.679) 4.951 3.784 ( 0.916 -0.107 0.275) 0.962 3.850 ( 0.532 1.925 3.866) 4.351 3.930 ( -1.029 -1.803 -0.204) 2.086 4.025 ( 0.635 2.885 0.751) 3.048 4.078 ( -0.849 -0.526 0.866) 1.322 4.173 ( 0.881 -2.973 -1.038) 3.270 4.280 ( -1.517 -3.248 -2.183) 4.198 ======================= Grid point 90 (40/114) ======================= q-point: ( 0.62 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.518 ( 4.068 -1.941 -1.194) 4.663 0.649 ( 0.429 -0.577 -0.632) 0.957 0.674 ( -1.461 4.173 1.561) 4.689 0.711 ( 2.780 0.915 2.954) 4.158 0.846 ( 2.198 -2.611 -1.504) 3.730 0.890 ( 3.127 2.667 -0.811) 4.189 0.922 ( -1.581 -2.983 -0.114) 3.378 1.025 ( -2.800 1.446 -2.508) 4.028 1.143 ( 0.345 -5.094 -1.688) 5.378 1.169 ( -4.888 -1.813 -1.113) 5.331 1.397 ( -1.050 -2.363 -3.829) 4.620 1.480 ( -1.167 3.769 -7.350) 8.342 1.511 ( 0.280 2.062 -4.148) 4.641 1.632 ( -1.697 -0.168 -0.187) 1.716 1.693 ( 3.885 0.270 -0.291) 3.906 1.776 ( 3.923 1.618 -3.419) 5.450 1.826 ( -2.783 -3.311 0.509) 4.355 1.889 ( 1.947 0.560 -0.537) 2.096 2.006 ( -2.750 1.127 1.588) 3.370 2.029 ( 1.804 -1.883 1.577) 3.047 2.096 ( 3.787 1.812 2.878) 5.090 2.116 ( 2.156 -0.802 -0.140) 2.305 2.237 ( 0.269 0.026 -0.337) 0.432 2.366 ( -0.711 4.689 -0.799) 4.810 2.378 ( -2.608 -0.424 0.956) 2.810 2.413 ( 0.511 0.894 -1.158) 1.550 2.486 ( -1.995 2.348 0.137) 3.084 2.500 ( 0.800 1.898 -3.316) 3.904 2.573 ( 0.779 -2.026 -0.812) 2.317 2.649 ( 1.599 0.162 0.053) 1.608 2.688 ( -3.158 -0.178 1.081) 3.343 2.778 ( 0.266 1.935 2.730) 3.357 2.806 ( -2.160 -1.102 3.244) 4.050 2.932 ( -0.434 -1.729 0.700) 1.916 2.966 ( -0.174 2.785 0.204) 2.797 3.111 ( -3.698 1.273 1.720) 4.273 3.249 ( 2.622 -5.118 1.187) 5.872 3.335 ( 2.733 0.786 -1.342) 3.145 3.419 ( 0.630 1.648 -3.126) 3.590 3.484 ( -1.328 2.045 3.803) 4.518 3.570 ( 0.746 -3.332 -0.162) 3.418 3.765 ( -1.314 2.430 1.611) 3.198 3.824 ( 1.331 2.140 2.731) 3.716 3.943 ( -0.602 0.716 -1.551) 1.811 3.984 ( -0.618 0.196 -0.192) 0.676 4.082 ( 0.318 0.123 -0.327) 0.472 4.226 ( 1.084 -2.138 -3.315) 4.091 4.302 ( -0.806 -0.943 -2.483) 2.776 ======================= Grid point 91 (41/114) ======================= q-point: (-0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.555 ( 0.245 3.355 -0.517) 3.404 0.607 ( 1.306 -2.295 -0.152) 2.645 0.637 ( 0.220 4.367 0.988) 4.483 0.705 ( -0.234 1.739 3.512) 3.926 0.831 ( 0.462 2.126 -0.461) 2.224 0.866 ( -0.154 2.248 1.962) 2.988 0.963 ( -0.161 -3.224 -2.631) 4.164 1.094 ( 2.994 -6.110 -5.208) 8.569 1.119 ( -4.732 0.013 -2.093) 5.174 1.247 ( 3.105 -1.282 -3.702) 4.999 1.342 ( -0.878 2.246 -4.701) 5.283 1.427 ( -0.345 1.034 -4.723) 4.847 1.523 ( 0.090 -0.990 -9.134) 9.188 1.597 ( 0.932 4.190 0.425) 4.313 1.691 ( -0.914 0.400 4.356) 4.469 1.750 ( 1.522 3.768 -4.581) 6.124 1.837 ( -0.098 2.895 1.190) 3.132 1.901 ( 0.187 -2.823 -0.001) 2.829 1.948 ( -2.251 0.802 -2.394) 3.383 2.069 ( 0.959 -0.283 2.002) 2.238 2.124 ( 5.762 -0.944 1.279) 5.977 2.143 ( -0.099 -0.667 1.704) 1.832 2.261 ( -0.689 2.541 -0.519) 2.683 2.294 ( 0.998 -1.584 -0.204) 1.883 2.370 ( -1.112 0.133 0.258) 1.149 2.389 ( -0.761 0.798 -2.218) 2.477 2.456 ( -4.049 -0.968 0.240) 4.170 2.491 ( -1.582 -1.331 0.142) 2.072 2.606 ( 1.834 -1.530 1.886) 3.043 2.645 ( -1.612 -0.166 0.590) 1.725 2.672 ( -0.086 1.067 3.198) 3.373 2.786 ( 4.000 0.490 1.832) 4.427 2.868 ( 1.914 -4.068 -0.231) 4.501 2.905 ( -3.228 0.740 1.718) 3.731 2.962 ( -1.423 -1.419 1.059) 2.272 3.078 ( -2.475 -1.369 -0.972) 2.991 3.283 ( 2.043 3.058 0.178) 3.682 3.354 ( 0.554 -0.307 -0.089) 0.640 3.391 ( 2.960 2.031 0.306) 3.602 3.461 ( -0.932 -0.144 3.961) 4.072 3.674 ( -1.029 -5.283 0.626) 5.419 3.691 ( -2.590 2.022 -0.996) 3.433 3.805 ( 1.636 0.925 2.110) 2.825 3.900 ( -0.049 2.516 0.243) 2.528 4.004 ( 0.145 -1.352 -1.194) 1.810 4.072 ( -0.269 0.826 -1.159) 1.448 4.249 ( 0.587 0.190 -4.490) 4.532 4.317 ( 0.230 -1.770 -2.325) 2.931 ======================= Grid point 92 (42/114) ======================= q-point: (-0.12 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.505 ( -1.453 1.739 -1.155) 2.544 0.558 ( 1.559 3.504 -0.274) 3.845 0.594 ( 0.213 4.343 2.208) 4.876 0.717 ( 2.165 -0.751 3.190) 3.928 0.783 ( -2.244 -0.716 -0.121) 2.359 0.881 ( 2.769 -0.753 3.280) 4.359 0.996 ( -6.363 -2.578 -3.413) 7.667 1.084 ( 1.037 2.510 -1.760) 3.236 1.132 ( 3.401 2.450 -4.518) 6.162 1.272 ( 1.049 2.440 -3.643) 4.508 1.355 ( 1.669 -2.949 -0.732) 3.467 1.455 ( 5.306 -0.330 0.599) 5.350 1.463 ( -0.719 4.089 -3.089) 5.175 1.524 ( 0.568 2.539 -1.251) 2.887 1.669 ( 0.386 1.394 -5.524) 5.710 1.702 ( -1.831 1.710 0.456) 2.546 1.771 ( -0.901 2.493 1.921) 3.274 1.949 ( 0.778 -0.834 3.299) 3.491 1.978 ( 1.917 -2.926 -3.683) 5.080 2.066 ( -2.039 -0.694 0.527) 2.218 2.096 ( 3.252 4.965 -1.780) 6.196 2.193 ( -6.117 0.800 1.751) 6.413 2.221 ( 2.963 -3.743 0.327) 4.785 2.304 ( -0.008 1.797 -1.138) 2.127 2.394 ( -2.033 -2.204 -1.242) 3.246 2.410 ( 1.421 -2.556 -2.516) 3.858 2.439 ( -2.836 -1.882 0.074) 3.405 2.513 ( -0.457 -2.122 1.547) 2.665 2.624 ( -2.438 0.071 0.535) 2.497 2.662 ( 0.772 -0.242 3.778) 3.864 2.694 ( 2.263 -3.788 1.593) 4.691 2.776 ( 3.434 2.906 0.707) 4.553 2.889 ( -1.651 -0.751 2.561) 3.138 2.926 ( 0.405 -0.384 1.790) 1.875 3.017 ( -2.073 -7.078 -2.421) 7.763 3.113 ( -1.587 -2.889 -1.032) 3.454 3.230 ( 1.970 3.728 0.766) 4.285 3.341 ( 1.481 1.856 -0.691) 2.473 3.385 ( 0.621 1.572 2.716) 3.199 3.468 ( -0.559 -1.506 3.853) 4.174 3.602 ( -1.303 3.266 -5.097) 6.192 3.746 ( -3.213 -2.311 0.877) 4.054 3.854 ( 0.294 -1.951 3.433) 3.959 3.875 ( 2.968 -1.145 1.252) 3.418 3.997 ( 0.629 2.608 -2.660) 3.778 4.069 ( -0.769 -1.396 0.261) 1.615 4.226 ( -0.015 1.999 -3.345) 3.897 4.357 ( -0.026 -2.220 -2.958) 3.698 ======================= Grid point 96 (43/114) ======================= q-point: ( 0.38 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.516 ( 6.646 0.000 1.584) 6.832 0.541 ( 6.649 0.000 4.163) 7.845 0.624 ( -0.377 -0.000 1.498) 1.545 0.730 ( -5.353 -0.000 -0.325) 5.363 0.824 ( -3.943 -0.000 -0.063) 3.944 0.826 ( -0.818 -0.000 0.403) 0.912 1.029 ( 3.292 0.000 1.233) 3.515 1.037 ( -1.618 -0.000 5.136) 5.385 1.108 ( 0.630 0.000 -1.474) 1.603 1.209 ( -4.560 -0.000 3.359) 5.664 1.262 ( -9.128 -0.000 -0.238) 9.131 1.379 ( 12.053 0.000 2.912) 12.400 1.494 ( -0.325 -0.000 2.431) 2.453 1.569 ( 4.356 0.000 -0.271) 4.364 1.686 ( -1.283 -0.000 3.523) 3.749 1.782 ( -6.736 -0.000 -1.661) 6.938 1.843 ( -1.483 -0.000 5.845) 6.030 1.846 ( 4.456 0.000 2.087) 4.921 2.002 ( 4.322 0.000 -4.014) 5.899 2.007 ( -0.150 -0.000 -3.508) 3.511 2.127 ( -1.789 -0.000 -3.387) 3.830 2.163 ( 6.963 0.000 1.100) 7.050 2.274 ( -0.356 -0.000 -0.556) 0.660 2.354 ( -0.807 -0.000 -2.973) 3.081 2.360 ( -8.354 -0.000 2.491) 8.718 2.479 ( -0.991 -0.000 -2.854) 3.022 2.556 ( 3.763 0.000 -5.274) 6.479 2.647 ( 3.430 0.000 -1.857) 3.901 2.667 ( 0.357 0.000 -3.977) 3.994 2.698 ( 0.379 0.000 -1.316) 1.369 2.739 ( 0.280 0.000 5.632) 5.639 2.828 ( -0.302 -0.000 5.951) 5.958 2.889 ( -8.095 -0.000 0.568) 8.115 2.913 ( -0.367 -0.000 -1.974) 2.008 2.971 ( -2.081 -0.000 -1.125) 2.366 3.123 ( 0.017 0.000 0.140) 0.141 3.206 ( -0.170 -0.000 -3.332) 3.336 3.326 ( 0.393 0.000 -5.634) 5.648 3.500 ( 3.862 0.000 -1.612) 4.185 3.517 ( 2.397 0.000 -2.825) 3.705 3.709 ( -0.809 -0.000 0.088) 0.814 3.758 ( 0.358 0.000 -3.525) 3.543 3.885 ( -4.202 -0.000 3.306) 5.347 3.965 ( 1.437 0.000 4.935) 5.140 4.005 ( -2.666 -0.000 3.094) 4.084 4.066 ( 0.224 0.000 1.776) 1.790 4.114 ( 2.256 0.000 0.170) 2.262 4.141 ( 0.283 0.000 2.336) 2.353 ======================= Grid point 97 (44/114) ======================= q-point: ( 0.50 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.544 ( 3.411 2.772 1.711) 4.716 0.606 ( 4.722 -2.255 -1.594) 5.470 0.662 ( 0.896 -3.198 2.811) 4.351 0.697 ( -0.824 -0.734 -0.713) 1.314 0.785 ( 0.400 2.107 2.521) 3.310 0.847 ( -1.534 -3.423 0.828) 3.841 0.990 ( -0.405 3.479 0.826) 3.599 1.042 ( -0.258 1.234 3.137) 3.381 1.111 ( -3.487 -0.861 -3.509) 5.021 1.155 ( -3.207 1.973 1.978) 4.253 1.252 ( -3.960 -4.646 1.409) 6.265 1.445 ( 4.475 -0.278 -1.681) 4.788 1.520 ( 2.477 -2.093 2.133) 3.882 1.641 ( 2.860 -0.819 2.449) 3.854 1.692 ( 1.789 -1.417 -0.028) 2.283 1.763 ( -7.672 -3.539 1.084) 8.518 1.814 ( -1.818 0.697 4.738) 5.123 1.885 ( 1.882 0.058 3.747) 4.194 1.971 ( 3.937 2.212 -4.919) 6.677 2.038 ( 2.621 1.675 -1.640) 3.516 2.084 ( 2.498 1.070 -2.181) 3.485 2.198 ( 1.088 1.402 -1.439) 2.285 2.226 ( -4.594 1.140 -0.546) 4.765 2.340 ( -5.265 -3.248 -0.246) 6.191 2.403 ( 3.906 -2.897 -0.531) 4.892 2.492 ( 0.354 -0.389 -3.247) 3.290 2.538 ( 1.022 2.651 -2.215) 3.603 2.610 ( -0.466 4.005 -3.530) 5.359 2.650 ( 0.913 2.725 -4.088) 4.997 2.677 ( 1.736 2.263 -0.141) 2.856 2.759 ( -0.318 0.604 4.149) 4.205 2.822 ( -4.488 0.670 3.819) 5.931 2.837 ( -3.439 -0.707 1.144) 3.693 2.902 ( 0.706 1.687 -1.598) 2.428 2.959 ( -1.426 -2.684 1.098) 3.231 3.093 ( 1.865 3.310 0.925) 3.910 3.202 ( -0.332 0.328 -2.799) 2.838 3.337 ( 0.558 -1.261 -4.793) 4.987 3.502 ( 1.077 2.308 -1.545) 2.979 3.505 ( 2.966 2.380 -1.361) 4.039 3.666 ( -1.138 3.561 0.409) 3.761 3.766 ( -0.536 -0.947 -2.179) 2.436 3.867 ( -1.640 -1.154 2.825) 3.465 3.938 ( 0.814 2.780 3.170) 4.295 4.030 ( -1.658 -3.203 2.095) 4.171 4.065 ( 0.224 0.960 1.140) 1.507 4.145 ( 0.648 -0.921 1.451) 1.836 4.195 ( 0.446 -4.843 -0.379) 4.878 ======================= Grid point 98 (45/114) ======================= q-point: (-0.38 -0.62 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.533 ( 3.302 0.481 -0.780) 3.427 0.641 ( 1.819 -0.665 -1.295) 2.330 0.701 ( -3.515 0.312 1.232) 3.738 0.764 ( 1.714 -5.154 -1.882) 5.748 0.769 ( 3.659 1.600 4.469) 5.993 0.893 ( 1.071 -0.408 1.024) 1.537 0.957 ( -0.765 -0.022 0.453) 0.889 1.006 ( -3.198 -0.101 0.363) 3.220 1.085 ( -1.192 -0.138 -3.583) 3.779 1.124 ( -0.061 0.007 0.276) 0.283 1.324 ( -0.623 -4.469 -0.270) 4.520 1.473 ( -0.878 -0.150 -5.853) 5.920 1.542 ( -0.128 -0.116 4.121) 4.125 1.652 ( 0.870 1.561 -3.584) 4.004 1.726 ( -1.309 -1.407 -1.567) 2.479 1.764 ( -1.752 -0.592 1.909) 2.658 1.816 ( 1.995 0.189 -0.862) 2.181 1.868 ( -1.289 -0.521 2.840) 3.162 2.003 ( 1.362 -0.411 2.234) 2.648 2.009 ( -0.337 0.078 -1.315) 1.360 2.125 ( 6.039 -1.172 -0.428) 6.166 2.175 ( 2.805 2.004 -0.821) 3.544 2.217 ( -1.261 -2.604 -2.453) 3.793 2.323 ( -7.869 0.532 1.017) 7.952 2.441 ( 0.699 2.716 -2.573) 3.806 2.470 ( 3.338 4.049 0.608) 5.283 2.521 ( 1.212 -0.784 -1.890) 2.378 2.524 ( -1.521 2.991 -1.554) 3.698 2.596 ( 1.071 3.340 -4.438) 5.657 2.673 ( 2.885 -0.245 -0.542) 2.946 2.708 ( -0.242 4.324 -0.257) 4.339 2.741 ( -6.799 1.136 4.149) 8.046 2.839 ( 0.095 0.872 2.710) 2.848 2.892 ( -0.688 -1.400 -0.290) 1.587 3.022 ( 0.814 -0.069 2.630) 2.754 3.078 ( -0.237 -1.648 0.831) 1.861 3.192 ( 1.149 -0.728 -0.122) 1.366 3.362 ( 1.601 -0.596 -2.467) 3.001 3.444 ( -0.908 2.514 -3.926) 4.749 3.497 ( 0.871 0.945 2.930) 3.199 3.590 ( -0.284 3.299 -0.481) 3.346 3.775 ( -1.772 -0.318 1.540) 2.369 3.882 ( 1.974 2.168 2.060) 3.583 3.905 ( -1.829 -1.419 0.239) 2.327 4.027 ( -0.298 2.948 -0.173) 2.968 4.068 ( -0.467 -1.640 0.782) 1.876 4.191 ( 1.581 -2.734 -0.320) 3.175 4.263 ( -0.293 -2.697 -2.091) 3.425 ======================= Grid point 99 (46/114) ======================= q-point: (-0.25 -0.62 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.582 ( 3.488 -2.145 -1.677) 4.425 0.614 ( -2.733 2.944 1.496) 4.287 0.681 ( -0.158 -0.142 1.047) 1.068 0.757 ( 1.701 2.998 3.995) 5.276 0.849 ( -0.608 -0.356 -2.660) 2.752 0.878 ( -4.229 -1.439 1.683) 4.774 0.928 ( 1.680 2.264 1.339) 3.121 1.012 ( -0.652 -3.190 -5.700) 6.564 1.102 ( 2.802 -0.983 -0.749) 3.062 1.197 ( 4.151 -5.391 -3.528) 7.664 1.374 ( -1.323 -0.290 -5.252) 5.424 1.439 ( -1.960 0.007 -3.949) 4.409 1.509 ( -0.166 3.737 -5.475) 6.631 1.627 ( 1.194 -0.358 -2.575) 2.861 1.710 ( -0.910 2.450 0.760) 2.721 1.780 ( -3.281 -4.333 0.679) 5.478 1.840 ( 2.951 1.749 -2.603) 4.306 1.900 ( 0.650 -2.621 0.732) 2.798 1.948 ( -3.528 3.253 0.257) 4.806 2.059 ( 1.775 -2.518 1.293) 3.341 2.149 ( 3.091 1.973 4.518) 5.819 2.178 ( 1.289 2.132 1.384) 2.850 2.261 ( -5.138 -2.371 1.850) 5.953 2.275 ( 2.044 -2.382 -4.131) 5.188 2.372 ( -0.907 4.234 1.035) 4.453 2.414 ( -1.133 3.010 -3.877) 5.037 2.437 ( -0.255 2.489 -1.061) 2.717 2.523 ( 1.642 2.824 -1.832) 3.745 2.602 ( -1.000 -0.516 -1.140) 1.602 2.650 ( 1.044 1.737 3.791) 4.299 2.665 ( 0.570 -0.850 0.267) 1.057 2.765 ( -2.330 -4.964 0.088) 5.484 2.829 ( 3.501 0.863 3.488) 5.017 2.922 ( -0.815 -1.353 1.132) 1.943 2.979 ( 1.475 4.211 1.079) 4.590 3.065 ( -2.050 1.196 0.169) 2.379 3.276 ( 0.420 -4.616 1.551) 4.888 3.363 ( 0.660 1.256 -1.515) 2.076 3.416 ( -0.559 -0.303 -2.601) 2.677 3.477 ( -0.682 1.536 5.272) 5.533 3.581 ( 1.113 -2.262 -2.022) 3.232 3.736 ( -2.097 3.041 2.831) 4.654 3.842 ( -0.432 2.032 2.519) 3.265 3.931 ( -0.376 0.092 -2.207) 2.241 3.983 ( 0.649 0.365 -0.302) 0.803 4.082 ( -0.153 0.025 -0.484) 0.508 4.245 ( 2.083 -1.548 -2.673) 3.725 4.287 ( -0.630 -1.157 -2.773) 3.070 ======================= Grid point 100 (47/114) ======================= q-point: (-0.12 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.531 ( -1.985 3.040 0.140) 3.633 0.648 ( 1.529 1.462 1.033) 2.354 0.653 ( 1.102 2.961 -0.402) 3.185 0.711 ( 0.935 -0.198 4.201) 4.309 0.780 ( -2.742 3.269 1.087) 4.402 0.881 ( -6.733 -2.983 -3.317) 8.076 0.930 ( 4.099 1.016 1.307) 4.420 1.090 ( 0.209 -3.239 -2.277) 3.965 1.178 ( 6.017 -1.757 -8.871) 10.863 1.276 ( 1.853 -0.789 -4.958) 5.351 1.338 ( 1.251 0.112 -3.045) 3.294 1.418 ( 0.912 -0.597 -4.765) 4.888 1.499 ( -1.212 -0.841 -5.328) 5.529 1.623 ( 1.957 3.055 -1.070) 3.783 1.674 ( -1.792 -0.414 3.564) 4.010 1.762 ( 1.051 6.525 -4.062) 7.757 1.834 ( -1.024 4.200 0.801) 4.397 1.880 ( -0.984 -5.553 -2.192) 6.050 1.946 ( 1.242 -1.145 0.969) 1.948 2.082 ( -2.601 0.465 1.541) 3.059 2.146 ( -1.376 1.405 5.052) 5.421 2.174 ( 0.520 -2.130 0.738) 2.313 2.228 ( 0.490 3.417 -1.324) 3.697 2.320 ( 0.334 -0.475 -0.299) 0.653 2.337 ( -1.561 -1.529 1.351) 2.569 2.373 ( 0.763 -0.956 -4.580) 4.740 2.408 ( -0.701 0.865 -0.958) 1.469 2.500 ( 0.667 0.891 1.316) 1.723 2.598 ( -1.408 -1.235 0.127) 1.877 2.654 ( 1.286 -1.165 2.955) 3.427 2.698 ( 1.683 0.380 1.832) 2.516 2.812 ( -4.283 -2.403 -0.509) 4.937 2.858 ( 2.725 0.522 1.749) 3.280 2.921 ( 2.328 -0.793 0.656) 2.545 2.951 ( -0.305 0.276 2.352) 2.388 3.060 ( 0.825 -1.817 -0.454) 2.046 3.287 ( -1.763 1.621 -0.548) 2.457 3.363 ( 0.589 -0.239 -0.270) 0.691 3.408 ( -1.633 1.126 0.247) 1.999 3.461 ( 0.300 0.028 5.351) 5.359 3.655 ( -0.932 0.402 0.456) 1.113 3.656 ( -0.906 -0.731 -1.879) 2.210 3.828 ( 0.439 -0.975 2.314) 2.549 3.899 ( -0.224 1.492 0.086) 1.511 4.017 ( 1.570 -1.692 -0.924) 2.486 4.062 ( -0.646 1.637 -1.373) 2.232 4.255 ( 0.955 1.291 -4.005) 4.315 4.314 ( -0.094 -2.325 -2.657) 3.532 ======================= Grid point 105 (48/114) ======================= q-point: (-0.50 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.592 ( -0.927 -0.000 2.663) 2.820 0.633 ( 4.602 0.000 0.325) 4.613 0.642 ( 4.643 0.000 1.527) 4.888 0.696 ( 0.636 0.000 2.855) 2.925 0.765 ( -2.920 -0.000 1.388) 3.233 0.836 ( 1.868 0.000 2.270) 2.940 1.012 ( -8.069 -0.000 -1.732) 8.253 1.034 ( 0.411 0.000 3.412) 3.437 1.108 ( 2.348 0.000 -3.325) 4.071 1.141 ( -4.606 -0.000 1.487) 4.840 1.188 ( 0.880 0.000 1.764) 1.971 1.487 ( 3.594 0.000 -4.345) 5.639 1.506 ( 1.190 0.000 4.938) 5.079 1.616 ( -14.115 -0.000 3.066) 14.444 1.686 ( 5.991 0.000 1.628) 6.208 1.698 ( 1.852 0.000 2.941) 3.475 1.841 ( 1.470 0.000 5.543) 5.735 1.878 ( -1.302 -0.000 3.736) 3.957 2.026 ( 4.184 0.000 -5.847) 7.190 2.037 ( -0.734 -0.000 -4.983) 5.037 2.127 ( 3.604 0.000 -0.875) 3.708 2.209 ( -7.349 -0.000 -0.199) 7.352 2.258 ( 1.327 0.000 2.340) 2.690 2.270 ( 0.814 0.000 -2.347) 2.484 2.373 ( 3.076 0.000 -0.070) 3.077 2.478 ( 1.451 0.000 -0.627) 1.581 2.572 ( -0.276 -0.000 -5.880) 5.886 2.649 ( -1.459 -0.000 -4.956) 5.167 2.656 ( -3.997 -0.000 -5.033) 6.427 2.709 ( -0.323 -0.000 -0.807) 0.869 2.750 ( -0.366 -0.000 5.337) 5.349 2.800 ( 0.107 0.000 0.783) 0.790 2.823 ( -1.717 -0.000 6.218) 6.451 2.910 ( 0.641 0.000 -2.176) 2.268 2.959 ( 0.513 0.000 -0.335) 0.613 3.164 ( 4.613 0.000 3.522) 5.804 3.191 ( -0.724 -0.000 -4.701) 4.757 3.312 ( -0.589 -0.000 -7.305) 7.329 3.540 ( 1.461 0.000 -1.135) 1.850 3.540 ( 0.886 0.000 -2.059) 2.242 3.709 ( 0.295 0.000 -1.229) 1.264 3.756 ( 0.073 0.000 -3.917) 3.918 3.813 ( -4.260 -0.000 4.109) 5.918 3.967 ( -2.795 -0.000 3.007) 4.105 4.007 ( 2.012 0.000 4.192) 4.650 4.065 ( -0.325 -0.000 0.404) 0.519 4.144 ( 1.268 0.000 1.439) 1.918 4.153 ( 0.829 0.000 2.731) 2.854 ======================= Grid point 106 (49/114) ======================= q-point: (-0.38 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.561 ( -2.268 1.039 2.699) 3.675 0.643 ( -1.015 0.314 0.443) 1.151 0.680 ( 0.334 0.186 -1.272) 1.328 0.724 ( 3.934 -2.021 2.059) 4.879 0.798 ( 1.930 -2.506 2.594) 4.091 0.863 ( 3.535 -0.950 3.090) 4.790 0.951 ( -7.943 -0.829 -2.217) 8.288 0.994 ( 0.600 3.771 1.359) 4.053 1.095 ( -0.144 0.884 -0.399) 0.981 1.139 ( 0.982 -0.597 -1.367) 1.785 1.250 ( 2.780 -3.732 2.349) 5.213 1.478 ( -1.880 2.131 -3.009) 4.138 1.539 ( -4.175 -2.682 2.737) 5.668 1.560 ( -7.238 -4.882 5.036) 10.079 1.680 ( 1.328 1.627 0.218) 2.111 1.772 ( 3.539 -2.374 1.511) 4.521 1.817 ( -0.723 0.505 0.087) 0.886 1.902 ( -0.193 0.699 2.721) 2.816 2.014 ( -0.269 0.868 -2.268) 2.443 2.042 ( 2.603 3.035 -1.403) 4.237 2.126 ( -1.011 -0.431 -2.228) 2.484 2.164 ( 1.736 -0.819 -1.839) 2.658 2.235 ( 0.462 0.575 2.448) 2.557 2.284 ( 0.459 0.566 -2.614) 2.713 2.457 ( 1.884 -2.513 0.775) 3.235 2.495 ( 0.534 -0.106 -2.255) 2.320 2.563 ( 2.602 0.120 -2.431) 3.563 2.580 ( -2.250 3.425 -4.326) 5.959 2.622 ( -3.548 0.670 -4.422) 5.709 2.664 ( -1.908 2.523 -0.671) 3.234 2.751 ( -1.859 0.604 5.728) 6.052 2.792 ( 1.437 2.353 2.807) 3.934 2.831 ( 0.506 -0.336 0.309) 0.681 2.905 ( 0.089 2.462 -1.734) 3.013 2.959 ( 1.120 -2.466 1.160) 2.947 3.134 ( 2.002 3.601 -1.046) 4.251 3.208 ( 2.273 0.418 -0.591) 2.385 3.334 ( 0.092 -2.478 -4.166) 4.848 3.504 ( -0.133 4.024 -2.498) 4.738 3.530 ( 0.339 1.459 -0.095) 1.501 3.649 ( -1.422 4.036 -1.216) 4.449 3.738 ( -2.197 -1.151 -1.329) 2.813 3.863 ( 0.388 -2.929 2.347) 3.773 3.934 ( -1.390 2.170 2.318) 3.466 4.026 ( 0.397 -1.929 2.121) 2.894 4.065 ( -0.407 1.052 1.148) 1.609 4.157 ( 0.697 -1.717 1.741) 2.543 4.209 ( 1.295 -3.440 0.405) 3.698 ======================= Grid point 107 (50/114) ======================= q-point: (-0.25 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.560 ( -0.701 -2.613 -0.543) 2.759 0.631 ( -3.387 3.001 1.658) 4.819 0.636 ( -3.836 -1.903 0.171) 4.286 0.790 ( 1.106 -1.482 -1.525) 2.397 0.845 ( 4.758 0.407 3.184) 5.739 0.874 ( -3.492 1.071 3.079) 4.777 0.946 ( -2.080 -2.860 -3.282) 4.824 0.969 ( 2.068 1.566 3.309) 4.204 1.102 ( 3.562 -1.840 -0.687) 4.068 1.174 ( 5.373 -1.443 -5.462) 7.796 1.331 ( 1.214 -2.791 -0.207) 3.051 1.417 ( -3.702 0.697 -0.994) 3.896 1.533 ( -8.969 -2.255 -0.779) 9.281 1.630 ( 1.666 -3.171 4.414) 5.685 1.660 ( -0.488 0.575 -3.132) 3.222 1.776 ( -1.767 4.501 1.284) 5.002 1.829 ( -4.318 -0.226 -6.633) 7.918 1.860 ( 2.963 -3.164 -0.259) 4.342 1.980 ( -0.855 1.689 3.490) 3.970 2.044 ( 1.796 -0.973 1.715) 2.667 2.166 ( -1.941 -2.516 -2.030) 3.771 2.210 ( -2.473 0.821 0.477) 2.649 2.222 ( 3.969 0.715 1.993) 4.498 2.268 ( 4.445 0.093 -2.501) 5.102 2.426 ( -2.272 2.823 -1.647) 3.980 2.483 ( -1.140 4.454 -4.872) 6.699 2.521 ( 2.178 5.534 1.983) 6.269 2.533 ( -1.150 -0.650 -0.168) 1.332 2.605 ( 1.273 -0.186 -3.057) 3.317 2.666 ( -1.613 -3.020 0.382) 3.445 2.706 ( -0.494 4.022 0.804) 4.132 2.732 ( 3.544 4.327 1.091) 5.699 2.845 ( 0.302 -1.021 1.382) 1.745 2.884 ( -0.266 -1.224 0.618) 1.396 3.040 ( 0.411 -3.312 3.837) 5.085 3.080 ( 1.320 3.824 -2.495) 4.753 3.219 ( 1.643 -0.656 1.887) 2.587 3.372 ( -0.220 -2.065 -2.079) 2.938 3.413 ( -1.730 4.292 -3.460) 5.778 3.508 ( -0.186 1.515 3.489) 3.809 3.585 ( -0.224 1.374 -2.942) 3.255 3.750 ( -1.376 -0.546 1.505) 2.111 3.860 ( -3.029 1.272 2.279) 3.998 3.923 ( 1.930 -0.382 0.167) 1.975 4.021 ( -0.518 2.820 -0.000) 2.867 4.066 ( 0.033 -1.542 0.696) 1.692 4.214 ( 1.045 -3.100 0.309) 3.286 4.266 ( 1.570 -1.573 -2.291) 3.192 ======================= Grid point 108 (51/114) ======================= q-point: (-0.12 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.558 ( -3.289 1.985 1.990) 4.326 0.630 ( 1.612 -3.815 -1.034) 4.268 0.653 ( -3.327 -2.851 -0.758) 4.447 0.751 ( -2.996 3.792 2.132) 5.282 0.806 ( -4.492 2.585 2.732) 5.858 0.870 ( 3.516 2.678 0.671) 4.470 0.945 ( -0.161 -0.093 1.739) 1.749 1.009 ( 2.110 -4.981 -3.962) 6.705 1.191 ( 7.062 -1.613 -4.380) 8.465 1.262 ( 4.549 -3.000 -7.238) 9.060 1.342 ( -0.579 -0.122 -4.924) 4.959 1.411 ( -2.047 -0.222 -3.225) 3.827 1.480 ( -1.972 0.649 -2.057) 2.923 1.642 ( -0.114 -0.156 -3.861) 3.866 1.683 ( -3.329 1.258 2.506) 4.353 1.734 ( -2.495 -5.786 2.555) 6.799 1.822 ( -1.839 -1.080 -4.178) 4.691 1.915 ( 1.050 1.344 -0.032) 1.706 1.941 ( 1.428 1.283 1.473) 2.419 2.060 ( -5.121 1.789 1.974) 5.773 2.133 ( 0.569 -1.855 0.135) 1.945 2.199 ( 2.660 1.888 2.045) 3.850 2.238 ( -0.623 0.151 0.905) 1.109 2.315 ( 1.011 -0.908 -1.944) 2.372 2.350 ( -1.521 2.640 3.168) 4.396 2.396 ( 0.207 3.399 -5.053) 6.093 2.463 ( 2.537 3.782 0.137) 4.556 2.536 ( 1.215 -0.373 -0.270) 1.300 2.580 ( -0.320 2.132 -2.151) 3.045 2.650 ( -1.373 0.540 2.535) 2.933 2.707 ( 1.634 -0.669 3.322) 3.762 2.739 ( 0.089 -2.200 -2.051) 3.009 2.871 ( 0.535 -0.865 1.180) 1.558 2.917 ( -0.041 -1.863 1.557) 2.428 3.012 ( 2.908 5.192 -0.723) 5.994 3.064 ( 1.872 0.156 3.261) 3.763 3.268 ( -1.513 -2.502 1.120) 3.131 3.340 ( -3.220 0.532 -2.094) 3.878 3.395 ( -1.678 -1.117 -1.169) 2.330 3.477 ( -0.487 1.826 5.262) 5.591 3.601 ( 2.087 -2.307 -4.355) 5.352 3.727 ( 0.612 2.769 3.013) 4.138 3.822 ( -2.307 0.724 2.942) 3.808 3.921 ( -0.567 1.678 -1.993) 2.666 3.998 ( 1.005 -0.957 -0.313) 1.423 4.078 ( -0.133 0.268 -0.278) 0.408 4.268 ( -0.341 -2.456 -2.014) 3.194 4.283 ( 2.331 0.755 -3.409) 4.198 ======================= Grid point 114 (52/114) ======================= q-point: (-0.38 -0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.540 ( -5.922 -0.000 5.905) 8.363 0.613 ( -7.394 -0.000 1.906) 7.635 0.689 ( 1.584 0.000 -2.111) 2.639 0.750 ( 4.844 0.000 4.528) 6.631 0.803 ( 5.897 0.000 1.656) 6.125 0.883 ( -6.445 -0.000 -4.284) 7.739 0.902 ( 6.013 0.000 3.596) 7.006 1.051 ( 0.254 0.000 3.988) 3.997 1.096 ( -0.100 -0.000 -0.666) 0.673 1.120 ( -0.637 -0.000 -2.652) 2.727 1.243 ( 2.522 0.000 1.544) 2.957 1.365 ( -16.314 -0.000 6.684) 17.630 1.511 ( 0.678 0.000 -3.110) 3.183 1.543 ( 2.242 0.000 5.124) 5.593 1.727 ( -0.079 -0.000 -5.154) 5.154 1.729 ( 0.371 0.000 4.822) 4.837 1.835 ( -4.563 -0.000 2.531) 5.217 1.881 ( 1.766 0.000 2.039) 2.698 2.038 ( 2.356 0.000 0.479) 2.404 2.098 ( 4.379 0.000 -8.133) 9.237 2.105 ( -2.717 -0.000 0.174) 2.723 2.165 ( 0.618 0.000 -0.557) 0.832 2.258 ( -3.207 -0.000 4.109) 5.212 2.308 ( 4.227 0.000 -2.661) 4.995 2.435 ( 4.528 0.000 2.354) 5.103 2.499 ( -6.403 -0.000 -7.641) 9.969 2.525 ( 4.488 0.000 0.214) 4.493 2.603 ( -0.090 -0.000 -2.834) 2.835 2.608 ( -2.517 -0.000 -6.287) 6.772 2.695 ( -0.809 -0.000 -1.043) 1.320 2.743 ( -1.982 -0.000 7.260) 7.526 2.798 ( -2.345 -0.000 4.701) 5.253 2.844 ( 3.674 0.000 -1.810) 4.096 2.915 ( 0.443 0.000 -3.446) 3.475 2.995 ( 3.910 0.000 1.630) 4.236 3.171 ( -0.834 -0.000 -4.184) 4.266 3.257 ( 5.961 0.000 4.274) 7.335 3.291 ( -0.417 -0.000 -7.971) 7.981 3.537 ( -1.654 -0.000 -0.338) 1.688 3.538 ( -0.389 -0.000 -3.138) 3.162 3.662 ( -5.177 -0.000 -4.986) 7.187 3.749 ( 0.205 0.000 -4.848) 4.852 3.820 ( 3.334 0.000 6.903) 7.665 3.934 ( -2.071 -0.000 2.848) 3.522 4.031 ( 0.183 0.000 4.032) 4.036 4.057 ( -0.916 -0.000 0.629) 1.111 4.156 ( 0.048 0.000 1.616) 1.616 4.179 ( 2.010 0.000 3.824) 4.320 ======================= Grid point 115 (53/114) ======================= q-point: (-0.25 -0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.492 ( -6.857 -0.879 4.911) 8.480 0.568 ( -7.789 -1.390 1.006) 7.976 0.678 ( -0.520 2.549 0.434) 2.638 0.779 ( 1.513 0.388 -0.636) 1.687 0.836 ( -0.360 -0.620 0.538) 0.897 0.871 ( 1.123 -2.319 -0.919) 2.735 0.944 ( 4.436 1.987 2.965) 5.693 1.031 ( 4.702 1.608 4.521) 6.718 1.099 ( 0.440 -0.283 -0.558) 0.764 1.146 ( 0.414 -3.748 -2.707) 4.642 1.265 ( -15.306 -6.790 8.128) 18.613 1.346 ( 3.432 -1.949 2.136) 4.488 1.448 ( -1.960 3.033 -2.369) 4.319 1.621 ( 2.999 -2.487 2.010) 4.385 1.689 ( 0.134 1.292 -2.225) 2.577 1.768 ( -4.359 -1.057 -2.992) 5.392 1.792 ( -2.109 -2.493 1.188) 3.475 1.874 ( -2.791 4.366 0.135) 5.184 2.016 ( 0.466 2.832 1.435) 3.209 2.063 ( 1.706 1.805 0.341) 2.507 2.132 ( -1.036 -0.982 -1.101) 1.803 2.181 ( -0.306 -1.562 -0.789) 1.776 2.227 ( 2.299 -1.088 1.796) 3.114 2.346 ( 5.077 1.628 -3.779) 6.535 2.437 ( -2.889 1.247 -4.320) 5.345 2.490 ( 0.237 -1.003 1.478) 1.802 2.556 ( -1.665 2.452 -6.229) 6.898 2.585 ( 2.604 -1.776 -1.020) 3.313 2.624 ( 3.159 -0.750 -0.563) 3.295 2.641 ( -0.926 3.783 -0.096) 3.896 2.724 ( -2.893 0.235 6.273) 6.912 2.796 ( -1.018 -0.166 2.867) 3.047 2.859 ( 1.917 1.111 -2.360) 3.237 2.914 ( 1.834 2.198 -0.998) 3.031 2.992 ( 2.891 0.389 0.783) 3.021 3.143 ( 0.466 2.101 -2.991) 3.685 3.261 ( 3.459 1.702 -0.295) 3.866 3.327 ( -0.553 -1.787 -1.017) 2.129 3.494 ( -0.449 4.450 -4.421) 6.289 3.517 ( -1.875 0.109 0.454) 1.932 3.605 ( -3.533 2.077 -3.771) 5.569 3.718 ( 0.039 -0.654 -0.765) 1.007 3.867 ( -1.017 1.242 3.460) 3.815 3.930 ( 0.854 -0.689 1.969) 2.254 4.039 ( 0.662 -1.649 2.218) 2.842 4.054 ( -1.352 1.068 1.149) 2.071 4.167 ( 0.022 -2.113 1.721) 2.725 4.242 ( 3.270 -3.139 1.358) 4.731 ======================= Grid point 116 (54/114) ======================= q-point: (-0.12 -0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.503 ( -5.093 -4.861 2.041) 7.331 0.554 ( -6.489 -3.232 0.267) 7.254 0.612 ( 0.030 2.528 0.572) 2.592 0.759 ( -4.375 0.606 -1.278) 4.597 0.840 ( -0.734 1.201 2.169) 2.586 0.908 ( 2.171 1.815 2.592) 3.838 0.946 ( 1.926 -2.872 -2.161) 4.077 1.012 ( 1.915 4.081 3.383) 5.636 1.173 ( 5.269 -4.511 0.093) 6.937 1.238 ( 2.737 -4.831 -4.843) 7.367 1.295 ( -7.751 -6.239 4.787) 11.042 1.385 ( -0.409 0.433 -3.174) 3.229 1.426 ( 0.251 -1.482 -0.387) 1.552 1.622 ( -3.678 1.790 -1.122) 4.242 1.668 ( -5.538 1.426 -5.003) 7.598 1.711 ( 0.675 2.024 1.573) 2.651 1.775 ( -1.697 -1.747 -2.595) 3.558 1.882 ( 0.642 -4.482 0.167) 4.531 1.975 ( -0.564 1.658 2.402) 2.973 2.071 ( -1.853 1.966 0.775) 2.810 2.117 ( 0.988 -1.274 2.608) 3.066 2.218 ( 0.346 -1.542 -0.883) 1.810 2.274 ( 3.217 0.599 0.070) 3.273 2.327 ( 2.164 2.204 -3.549) 4.705 2.381 ( -2.456 2.966 0.184) 3.856 2.456 ( -1.042 3.568 -5.163) 6.362 2.523 ( 0.617 -0.027 0.987) 1.164 2.556 ( 1.971 3.362 1.310) 4.111 2.611 ( -0.178 1.156 -1.417) 1.837 2.664 ( 0.183 -0.898 3.706) 3.817 2.702 ( 0.324 2.208 -2.091) 3.058 2.772 ( 0.355 1.611 1.451) 2.197 2.866 ( 2.543 2.015 -0.743) 3.328 2.881 ( -0.354 -2.178 1.299) 2.561 3.053 ( 0.954 -3.095 2.811) 4.289 3.118 ( 4.039 2.424 -1.707) 5.010 3.237 ( -0.058 1.954 2.416) 3.108 3.337 ( -2.872 -0.515 -1.764) 3.409 3.392 ( -1.358 4.359 -3.351) 5.664 3.507 ( -0.332 0.889 2.901) 3.052 3.572 ( -0.480 -1.370 -4.752) 4.969 3.748 ( 0.982 -1.069 1.280) 1.936 3.821 ( -2.451 1.227 2.902) 3.992 3.947 ( 1.102 0.434 0.276) 1.216 4.005 ( -1.866 2.069 0.915) 2.933 4.073 ( 0.724 -0.833 0.559) 1.237 4.216 ( -0.520 -2.894 -0.607) 3.003 4.308 ( 4.012 -0.554 -1.760) 4.416 ======================= Grid point 123 (55/114) ======================= q-point: (-0.25 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.437 ( -8.462 -0.000 7.346) 11.206 0.478 ( -10.183 -0.000 3.910) 10.908 0.692 ( -0.650 -0.000 -0.221) 0.686 0.806 ( -2.923 -0.000 -4.679) 5.517 0.827 ( 4.068 0.000 2.688) 4.876 0.893 ( 4.578 0.000 1.228) 4.739 0.991 ( 3.096 0.000 1.792) 3.578 1.030 ( -20.308 -0.000 12.656) 23.929 1.094 ( -2.549 -0.000 -2.332) 3.455 1.096 ( 6.832 0.000 4.759) 8.326 1.121 ( 2.043 0.000 0.186) 2.052 1.353 ( 2.962 0.000 0.285) 2.976 1.521 ( 2.034 0.000 -1.276) 2.401 1.580 ( 1.213 0.000 3.594) 3.793 1.685 ( -2.910 -0.000 -11.248) 11.618 1.704 ( -4.919 -0.000 6.403) 8.074 1.759 ( -4.834 -0.000 2.082) 5.263 1.910 ( 1.406 0.000 1.310) 1.922 2.072 ( 0.919 0.000 1.954) 2.160 2.087 ( -0.010 -0.000 -2.457) 2.457 2.108 ( -4.670 -0.000 -0.599) 4.708 2.161 ( -0.101 -0.000 -1.047) 1.052 2.230 ( 1.190 0.000 0.325) 1.234 2.371 ( 4.121 0.000 -0.686) 4.177 2.430 ( -0.073 -0.000 -7.543) 7.543 2.508 ( 3.683 0.000 2.297) 4.341 2.547 ( -2.923 -0.000 -7.126) 7.703 2.608 ( 4.869 0.000 1.139) 5.000 2.613 ( 1.476 0.000 -2.580) 2.972 2.688 ( 0.349 0.000 -0.758) 0.835 2.710 ( -3.810 -0.000 8.315) 9.147 2.781 ( -0.468 -0.000 3.034) 3.070 2.894 ( 2.832 0.000 -2.753) 3.949 2.919 ( 1.357 0.000 -3.413) 3.673 3.065 ( 4.285 0.000 1.655) 4.594 3.154 ( -0.874 -0.000 -2.099) 2.273 3.274 ( -0.167 -0.000 -6.569) 6.571 3.342 ( 3.633 0.000 3.660) 5.157 3.491 ( -4.199 -0.000 0.103) 4.200 3.520 ( -1.102 -0.000 -5.608) 5.716 3.576 ( -3.775 -0.000 -5.945) 7.042 3.751 ( 1.334 0.000 -5.932) 6.080 3.898 ( 4.883 0.000 6.160) 7.860 3.916 ( -0.803 -0.000 3.132) 3.233 4.026 ( -1.764 -0.000 4.143) 4.503 4.037 ( -2.013 -0.000 1.379) 2.441 4.153 ( -0.730 -0.000 1.457) 1.630 4.235 ( 4.666 0.000 5.616) 7.302 ======================= Grid point 124 (56/114) ======================= q-point: (-0.12 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.390 ( -7.048 -2.363 7.016) 10.222 0.433 ( -9.408 -3.208 3.270) 10.464 0.668 ( -0.869 2.313 0.397) 2.503 0.752 ( -2.470 2.749 -2.345) 4.377 0.850 ( 0.407 -0.060 2.515) 2.548 0.908 ( 2.013 -0.141 -1.540) 2.539 0.971 ( -9.819 -6.082 11.795) 16.509 1.005 ( -1.574 0.011 1.401) 2.107 1.104 ( -3.159 0.332 4.360) 5.395 1.156 ( 1.328 -5.476 -2.012) 5.983 1.180 ( 9.389 -1.798 4.160) 10.426 1.395 ( -1.441 -1.860 -0.383) 2.384 1.460 ( 4.318 3.622 -3.674) 6.728 1.609 ( -4.501 0.177 2.024) 4.938 1.646 ( -4.926 1.489 -9.776) 11.048 1.709 ( -3.065 -1.595 4.427) 5.616 1.762 ( 0.151 -4.328 2.765) 5.138 1.835 ( -2.295 5.131 -0.627) 5.656 2.018 ( -0.748 3.158 -0.828) 3.350 2.081 ( -3.202 -0.008 4.146) 5.239 2.103 ( 2.648 -0.996 0.671) 2.907 2.178 ( -0.269 -1.788 -2.094) 2.767 2.268 ( 0.807 -2.450 -0.434) 2.615 2.393 ( 3.213 2.460 -6.373) 7.550 2.422 ( 1.066 1.284 -1.058) 1.976 2.496 ( -0.761 2.219 -4.113) 4.735 2.537 ( 0.555 0.401 -1.075) 1.275 2.604 ( 0.191 1.415 -1.161) 1.840 2.643 ( 0.469 2.554 1.726) 3.118 2.673 ( 2.609 -1.492 -0.534) 3.053 2.686 ( -2.481 0.396 6.735) 7.189 2.793 ( 0.431 -0.445 1.863) 1.963 2.873 ( 0.721 2.231 -2.521) 3.443 2.946 ( 2.137 0.480 -1.206) 2.500 3.043 ( 3.135 3.015 0.828) 4.428 3.155 ( 1.689 -0.528 -0.306) 1.796 3.291 ( -0.165 -1.929 -2.869) 3.461 3.315 ( -0.080 4.594 1.941) 4.988 3.457 ( -3.852 2.104 -2.051) 4.845 3.500 ( 0.496 -0.244 -5.694) 5.721 3.549 ( -2.389 0.591 -3.109) 3.965 3.735 ( 2.357 -0.285 -1.275) 2.695 3.853 ( -1.223 3.819 4.576) 6.084 3.948 ( 0.241 -0.387 2.539) 2.580 4.022 ( -2.939 0.701 2.981) 4.244 4.061 ( 1.672 -2.107 0.470) 2.731 4.163 ( -0.742 -2.109 0.941) 2.426 4.320 ( 6.302 -2.466 1.450) 6.921 ======================= Grid point 132 (57/114) ======================= q-point: (-0.12 -0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.323 ( -7.432 -0.000 9.952) 12.421 0.330 ( -9.148 -0.000 7.826) 12.038 0.674 ( -1.537 -0.000 -0.020) 1.537 0.724 ( -13.712 -0.000 16.988) 21.831 0.797 ( -4.160 -0.000 2.608) 4.910 0.885 ( 3.149 0.000 1.366) 3.432 0.944 ( 1.291 0.000 -2.453) 2.772 1.018 ( 0.908 0.000 0.304) 0.957 1.065 ( -1.084 -0.000 0.122) 1.090 1.139 ( -0.042 -0.000 0.866) 0.867 1.245 ( 10.065 0.000 5.268) 11.361 1.360 ( -0.926 -0.000 1.535) 1.793 1.542 ( -1.506 -0.000 -4.872) 5.099 1.559 ( -5.756 -0.000 3.074) 6.525 1.635 ( -3.963 -0.000 5.930) 7.132 1.644 ( 1.436 0.000 -3.628) 3.902 1.720 ( -0.074 -0.000 1.682) 1.683 1.906 ( -1.991 -0.000 -2.649) 3.314 1.981 ( -7.759 -0.000 1.017) 7.825 2.083 ( 0.575 0.000 2.560) 2.623 2.121 ( 1.839 0.000 0.422) 1.886 2.167 ( 0.953 0.000 -1.361) 1.661 2.230 ( -1.199 -0.000 -2.047) 2.373 2.423 ( 1.941 0.000 -0.226) 1.954 2.470 ( 5.600 0.000 -6.951) 8.926 2.482 ( -3.120 -0.000 -3.965) 5.045 2.541 ( -0.271 -0.000 -1.543) 1.566 2.626 ( 0.578 0.000 -2.751) 2.811 2.652 ( -2.286 -0.000 1.672) 2.832 2.694 ( 2.802 0.000 6.411) 6.996 2.707 ( 1.906 0.000 0.283) 1.927 2.790 ( 0.852 0.000 2.545) 2.683 2.903 ( 0.182 0.000 -4.139) 4.143 2.969 ( 4.540 0.000 -2.050) 4.981 3.123 ( 2.776 0.000 1.346) 3.085 3.134 ( -1.277 -0.000 0.597) 1.409 3.259 ( -1.260 -0.000 -2.091) 2.441 3.370 ( -0.875 -0.000 2.437) 2.589 3.417 ( -4.858 -0.000 -0.833) 4.929 3.500 ( 0.994 0.000 -8.337) 8.396 3.541 ( 0.200 0.000 -6.163) 6.166 3.772 ( 2.586 0.000 -6.294) 6.805 3.916 ( -0.264 -0.000 4.033) 4.042 3.974 ( 1.542 0.000 4.357) 4.622 3.999 ( -0.644 -0.000 4.173) 4.223 4.008 ( -1.469 -0.000 1.784) 2.311 4.140 ( -1.200 -0.000 1.430) 1.867 4.346 ( 8.000 0.000 3.860) 8.883 ======================= Grid point 133 (58/114) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.498 ( -1.727 -0.000 9.572) 9.727 0.527 ( 2.594 0.000 9.861) 10.196 0.707 ( -3.419 -0.000 5.322) 6.325 0.816 ( 5.147 0.000 -3.644) 6.307 0.869 ( -0.537 -0.000 -2.835) 2.886 0.907 ( 2.365 0.000 -0.595) 2.438 0.979 ( -2.516 -0.000 -2.223) 3.358 1.026 ( -2.661 -0.000 2.907) 3.941 1.219 ( -1.399 -0.000 19.680) 19.730 1.275 ( 2.771 0.000 9.064) 9.478 1.305 ( 3.667 0.000 -2.401) 4.384 1.417 ( 3.055 0.000 -2.648) 4.043 1.576 ( -7.504 -0.000 4.648) 8.827 1.648 ( -1.391 -0.000 5.794) 5.958 1.680 ( -2.898 -0.000 -5.786) 6.471 1.692 ( -1.019 -0.000 6.173) 6.257 1.729 ( 6.138 0.000 -0.610) 6.168 1.823 ( 1.180 0.000 4.625) 4.773 1.939 ( -0.639 -0.000 2.134) 2.227 2.068 ( 0.328 0.000 -5.817) 5.827 2.098 ( -0.087 -0.000 -8.152) 8.153 2.148 ( -4.371 -0.000 -0.348) 4.385 2.168 ( 0.766 0.000 0.423) 0.875 2.305 ( 0.022 0.000 -4.534) 4.535 2.438 ( 7.123 0.000 -2.875) 7.681 2.445 ( -0.095 -0.000 -1.660) 1.662 2.461 ( -3.552 -0.000 -0.200) 3.557 2.556 ( 0.682 0.000 -3.306) 3.375 2.608 ( -2.848 -0.000 0.027) 2.849 2.748 ( -0.902 -0.000 0.143) 0.913 2.793 ( 3.276 0.000 -5.020) 5.994 2.823 ( -1.280 -0.000 -0.119) 1.285 2.932 ( 0.453 0.000 9.836) 9.846 3.041 ( 3.313 0.000 2.859) 4.376 3.168 ( -1.830 -0.000 0.292) 1.853 3.197 ( 1.510 0.000 2.910) 3.279 3.276 ( 0.326 0.000 2.605) 2.625 3.284 ( -4.555 -0.000 -2.554) 5.222 3.333 ( -1.474 -0.000 -7.363) 7.509 3.341 ( -4.945 -0.000 -0.191) 4.949 3.453 ( 9.145 0.000 -5.087) 10.464 3.638 ( 2.069 0.000 -8.933) 9.169 4.025 ( 0.808 0.000 4.183) 4.261 4.031 ( -2.629 -0.000 3.124) 4.083 4.052 ( -0.265 -0.000 2.090) 2.107 4.082 ( 2.114 0.000 1.344) 2.505 4.159 ( -0.548 -0.000 2.212) 2.279 4.323 ( -2.668 -0.000 -4.013) 4.819 ======================= Grid point 134 (59/114) ======================= q-point: ( 0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.499 ( -0.078 -0.899 7.900) 7.951 0.584 ( 1.582 -2.123 7.506) 7.959 0.666 ( -1.686 2.162 4.268) 5.072 0.805 ( -1.523 4.625 0.082) 4.870 0.847 ( 3.070 1.280 -1.561) 3.675 0.892 ( -1.802 1.859 -1.465) 2.975 0.955 ( 2.044 -1.712 -1.975) 3.317 1.068 ( -2.553 -2.844 -3.376) 5.099 1.200 ( 1.019 5.836 8.156) 10.080 1.266 ( -0.165 1.594 11.096) 11.211 1.350 ( 3.767 -1.015 3.982) 5.575 1.429 ( -0.610 -1.144 -0.541) 1.405 1.510 ( -1.915 1.149 2.813) 3.592 1.572 ( -2.933 5.388 -2.800) 6.743 1.657 ( 2.955 2.468 2.583) 4.636 1.688 ( 3.065 -0.181 0.264) 3.082 1.760 ( -0.095 0.095 1.679) 1.684 1.902 ( 3.079 -2.951 6.208) 7.532 1.963 ( 0.552 -2.629 -0.157) 2.691 2.018 ( -2.519 1.228 -3.043) 4.136 2.100 ( -4.133 -0.366 -2.282) 4.735 2.147 ( -0.071 -2.690 -4.225) 5.009 2.169 ( 1.868 1.391 -0.893) 2.494 2.308 ( 0.813 0.166 -5.678) 5.739 2.406 ( -2.150 2.789 -1.341) 3.769 2.434 ( -1.384 0.337 -0.390) 1.477 2.487 ( 2.158 -0.550 -1.055) 2.465 2.565 ( 0.773 0.023 -1.401) 1.600 2.602 ( -0.584 -1.428 -0.456) 1.609 2.727 ( -2.339 0.854 -0.338) 2.513 2.792 ( 2.675 1.979 -1.223) 3.545 2.823 ( 0.275 -0.077 -0.669) 0.727 2.906 ( -0.727 1.692 6.425) 6.684 3.054 ( 0.384 1.815 3.709) 4.147 3.138 ( -2.721 1.953 -2.126) 3.967 3.211 ( -3.014 1.078 2.520) 4.074 3.251 ( 2.433 -1.828 0.896) 3.172 3.267 ( -1.216 1.096 0.581) 1.738 3.300 ( -2.837 -1.265 -3.653) 4.795 3.358 ( 0.001 -2.351 -3.619) 4.316 3.516 ( 7.292 0.370 -2.884) 7.850 3.677 ( 2.105 -3.139 -8.926) 9.693 3.969 ( -0.879 3.461 5.027) 6.166 4.004 ( -1.607 2.649 4.150) 5.179 4.051 ( 0.538 0.433 1.474) 1.628 4.124 ( 1.511 -0.610 0.068) 1.631 4.153 ( -0.335 0.281 2.168) 2.212 4.295 ( -3.510 -0.188 -4.237) 5.506 ======================= Grid point 135 (60/114) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.536 ( 0.337 -2.422 3.235) 4.055 0.578 ( -3.528 2.734 4.563) 6.383 0.651 ( 4.403 1.213 4.198) 6.203 0.726 ( -1.237 1.781 1.242) 2.499 0.811 ( -1.164 0.365 -0.135) 1.228 0.918 ( 1.619 -1.872 -1.441) 2.864 0.973 ( -1.812 0.927 -2.323) 3.089 1.059 ( 0.427 2.187 -4.352) 4.890 1.093 ( -0.628 4.979 3.959) 6.393 1.200 ( 2.073 4.359 1.110) 4.953 1.386 ( -2.687 3.344 -7.834) 8.932 1.428 ( -3.447 -1.532 1.431) 4.035 1.511 ( 5.442 -0.876 3.867) 6.734 1.520 ( 3.921 2.254 2.108) 4.990 1.622 ( 3.090 2.158 0.544) 3.808 1.692 ( -0.283 0.256 2.678) 2.705 1.784 ( 0.417 -0.902 1.585) 1.871 1.961 ( 1.899 -0.407 0.396) 1.982 1.987 ( -1.862 -1.577 0.775) 2.560 1.997 ( -1.473 -1.608 -1.881) 2.880 2.092 ( -2.630 0.154 0.583) 2.699 2.170 ( 0.528 -1.579 -2.149) 2.718 2.185 ( 1.853 -0.903 -1.227) 2.399 2.294 ( 1.218 1.392 -5.512) 5.814 2.341 ( -0.934 2.518 -1.372) 3.016 2.414 ( -1.264 0.717 -0.059) 1.454 2.487 ( -0.827 0.232 1.348) 1.598 2.570 ( 1.660 1.511 -0.190) 2.252 2.616 ( -1.429 -0.663 -0.013) 1.575 2.706 ( -1.121 -0.459 -0.409) 1.278 2.768 ( -0.544 1.403 1.776) 2.328 2.812 ( 0.684 1.248 2.456) 2.838 2.909 ( -1.384 -1.584 -0.134) 2.108 3.020 ( 0.880 1.889 4.887) 5.312 3.041 ( -2.946 5.146 -3.687) 6.982 3.166 ( -0.365 2.574 -0.114) 2.603 3.241 ( -0.553 -0.260 1.971) 2.064 3.300 ( 2.043 -1.063 -2.034) 3.073 3.363 ( -4.526 -5.590 3.198) 7.871 3.404 ( 0.810 -4.256 -3.270) 5.428 3.550 ( 5.765 1.074 -0.467) 5.883 3.732 ( -0.612 -1.825 -6.654) 6.927 3.918 ( 1.102 2.133 3.559) 4.293 3.958 ( -1.814 1.024 3.329) 3.927 4.020 ( 1.288 3.828 1.285) 4.239 4.110 ( 0.161 2.378 0.342) 2.408 4.154 ( -0.016 -0.191 0.156) 0.247 4.272 ( -1.744 0.191 -5.433) 5.709 ======================= Grid point 136 (61/114) ======================= q-point: ( 0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.514 ( -1.413 0.959 3.378) 3.785 0.604 ( 1.077 -4.241 1.369) 4.585 0.661 ( 1.007 0.375 1.983) 2.255 0.727 ( 1.129 -0.996 0.200) 1.519 0.811 ( -1.127 0.073 -1.365) 1.772 0.902 ( -2.032 2.012 0.551) 2.913 0.919 ( -2.330 2.322 1.380) 3.567 1.015 ( 1.653 1.500 -3.017) 3.754 1.084 ( 4.270 -0.764 -1.923) 4.745 1.167 ( 0.303 1.123 -4.388) 4.540 1.286 ( -0.529 4.507 -8.103) 9.288 1.375 ( 0.422 5.862 -4.941) 7.678 1.448 ( -1.029 2.600 -3.720) 4.653 1.610 ( 6.280 -0.663 -1.769) 6.558 1.653 ( 1.599 -1.800 3.792) 4.491 1.719 ( -1.232 -3.429 4.036) 5.437 1.760 ( -2.887 1.002 1.556) 3.429 1.938 ( 1.676 1.954 -0.618) 2.648 2.019 ( 0.745 -1.281 0.597) 1.598 2.033 ( -4.307 0.748 -1.053) 4.496 2.083 ( 0.546 -4.531 -1.500) 4.803 2.164 ( -3.279 0.539 0.008) 3.323 2.231 ( 3.911 -0.362 -1.002) 4.054 2.279 ( 1.668 1.597 -3.298) 4.026 2.312 ( 0.918 0.305 -1.167) 1.516 2.393 ( 0.185 0.592 1.128) 1.287 2.483 ( -0.611 0.126 4.175) 4.221 2.538 ( -0.549 1.444 0.304) 1.575 2.617 ( -1.646 -0.603 0.963) 2.000 2.703 ( 0.144 0.199 -1.427) 1.448 2.741 ( -2.281 0.454 2.237) 3.227 2.820 ( 0.353 0.257 2.460) 2.498 2.888 ( -2.191 1.224 -0.185) 2.517 2.940 ( -1.097 2.771 -3.302) 4.448 3.025 ( 0.535 0.008 4.350) 4.383 3.150 ( 4.211 0.585 2.287) 4.827 3.238 ( -2.075 -0.251 -0.356) 2.120 3.334 ( 0.617 -1.330 -2.038) 2.511 3.376 ( -4.038 -0.998 0.455) 4.185 3.536 ( 0.073 -8.647 2.200) 8.923 3.568 ( 3.687 1.165 1.928) 4.321 3.705 ( -1.909 2.487 -1.696) 3.565 3.903 ( 0.333 1.557 0.619) 1.708 3.948 ( -0.009 3.615 1.080) 3.773 3.968 ( 1.077 -1.498 0.089) 1.847 4.061 ( 0.765 3.067 -0.306) 3.176 4.156 ( -0.450 -0.389 -2.380) 2.453 4.248 ( -0.122 1.105 -5.443) 5.555 ======================= Grid point 137 (62/114) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.534 ( -0.852 -3.138 1.763) 3.698 0.643 ( -1.115 0.819 0.725) 1.562 0.685 ( -0.898 -1.379 1.143) 2.004 0.731 ( 1.028 2.145 -1.366) 2.743 0.796 ( -1.075 -1.363 1.358) 2.204 0.878 ( 0.581 -1.967 4.327) 4.789 0.929 ( -2.133 -4.614 -6.927) 8.592 1.001 ( 2.368 2.034 -0.734) 3.207 1.074 ( 1.202 5.750 -1.547) 6.075 1.171 ( 2.681 -1.424 -6.883) 7.523 1.246 ( -1.205 1.027 -7.260) 7.431 1.262 ( 3.426 3.364 -4.411) 6.520 1.420 ( -3.590 -1.224 -5.453) 6.642 1.628 ( 0.519 1.553 -0.035) 1.638 1.689 ( 5.872 0.674 -0.967) 5.989 1.741 ( -1.025 -3.812 -3.585) 5.332 1.777 ( -4.202 -0.573 4.891) 6.473 1.930 ( 3.129 1.059 0.216) 3.310 1.994 ( -3.122 -1.009 0.953) 3.416 2.029 ( -0.335 0.930 1.647) 1.921 2.138 ( -2.446 -0.647 -0.871) 2.676 2.143 ( -1.758 -2.212 -1.832) 3.367 2.237 ( 0.979 1.292 -0.056) 1.622 2.254 ( 0.936 1.316 -3.800) 4.130 2.315 ( 0.500 0.398 -0.502) 0.812 2.430 ( 3.583 -2.037 2.330) 4.734 2.479 ( 0.763 0.279 3.857) 3.942 2.535 ( -1.012 -1.543 1.264) 2.237 2.603 ( 0.189 0.997 0.594) 1.175 2.690 ( -2.069 1.269 0.290) 2.445 2.728 ( 1.106 0.440 -1.071) 1.601 2.790 ( -0.315 1.420 2.436) 2.837 2.872 ( -1.486 -0.108 0.842) 1.712 2.934 ( 1.880 -1.853 -2.525) 3.653 3.018 ( -0.977 0.881 4.403) 4.595 3.192 ( 3.651 -0.438 4.123) 5.524 3.227 ( -1.237 -0.736 -0.629) 1.571 3.328 ( -2.383 1.493 -1.842) 3.362 3.364 ( -2.334 -0.503 -0.155) 2.393 3.567 ( -0.893 0.267 3.722) 3.837 3.632 ( 2.306 3.800 -0.838) 4.524 3.699 ( 0.709 -6.791 2.763) 7.366 3.865 ( -1.826 1.742 0.580) 2.589 3.890 ( 0.320 2.319 0.411) 2.376 4.012 ( -0.519 -1.812 -1.432) 2.367 4.030 ( 2.151 0.951 -0.761) 2.472 4.156 ( -1.145 -0.539 -5.008) 5.166 4.234 ( 1.320 0.193 -4.052) 4.266 ======================= Grid point 138 (63/114) ======================= q-point: (-0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.581 ( -1.645 -0.385 2.115) 2.707 0.600 ( -1.564 0.188 3.835) 4.147 0.654 ( 0.812 3.707 0.377) 3.814 0.701 ( -3.598 -1.568 0.867) 4.019 0.848 ( -2.369 -2.539 2.858) 4.498 0.902 ( 0.100 1.951 -4.693) 5.083 0.971 ( 2.077 2.184 -2.783) 4.102 0.999 ( 0.041 -3.272 2.926) 4.390 1.057 ( 2.753 -5.602 -6.387) 8.931 1.190 ( 0.973 -0.729 -5.182) 5.323 1.232 ( 0.750 -1.858 -3.646) 4.160 1.305 ( 1.444 -3.363 -1.483) 3.949 1.428 ( -0.356 -2.076 -6.635) 6.961 1.596 ( -0.181 1.947 0.103) 1.958 1.687 ( -5.262 5.585 6.531) 10.076 1.706 ( 1.508 0.933 0.554) 1.858 1.802 ( -0.525 -1.900 0.061) 1.972 1.946 ( -0.452 0.055 -0.757) 0.884 1.999 ( 3.346 -1.998 1.422) 4.149 2.038 ( -1.203 -1.230 1.562) 2.324 2.110 ( -0.966 1.806 -2.004) 2.865 2.160 ( -3.515 -1.739 -2.360) 4.577 2.226 ( 0.458 -0.215 -1.200) 1.302 2.254 ( 0.331 -1.240 -3.974) 4.176 2.318 ( 0.694 -0.418 -1.234) 1.476 2.428 ( -1.300 2.246 2.286) 3.458 2.531 ( 0.670 -2.303 -0.919) 2.568 2.558 ( 1.644 -1.124 0.988) 2.223 2.626 ( 4.497 -1.384 2.913) 5.534 2.644 ( -0.975 1.297 -0.029) 1.623 2.714 ( -0.008 1.603 1.211) 2.009 2.813 ( 2.516 -2.945 1.531) 4.165 2.855 ( -1.285 0.928 0.762) 1.759 2.973 ( -0.636 1.993 2.173) 3.016 3.026 ( 2.791 -4.153 -0.690) 5.051 3.214 ( -2.890 -2.305 2.442) 4.430 3.249 ( -0.625 1.956 0.707) 2.172 3.253 ( 0.523 1.848 -0.274) 1.940 3.348 ( -0.766 0.977 -0.596) 1.377 3.539 ( -1.496 3.068 1.108) 3.589 3.583 ( 1.166 2.388 1.124) 2.885 3.765 ( 1.427 1.888 -3.096) 3.897 3.841 ( -1.401 -1.242 2.307) 2.971 3.911 ( -0.100 -4.961 2.063) 5.374 4.018 ( -0.415 -0.278 2.396) 2.448 4.055 ( 0.784 -1.503 -2.256) 2.821 4.152 ( -0.948 -0.516 -5.249) 5.359 4.257 ( 1.818 -1.494 -3.489) 4.208 ======================= Grid point 139 (64/114) ======================= q-point: (-0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( -2.478 2.103 5.763) 6.617 0.559 ( -0.756 1.951 3.959) 4.478 0.684 ( 0.555 -3.514 6.371) 7.297 0.710 ( -0.930 -1.152 1.498) 2.106 0.821 ( -3.578 -0.342 -1.552) 3.915 0.886 ( 2.961 1.774 -3.140) 4.666 0.952 ( 0.133 -0.066 -3.785) 3.787 1.104 ( -0.178 -6.018 5.052) 7.860 1.137 ( 0.615 -1.268 -7.448) 7.580 1.220 ( -3.581 -3.686 0.404) 5.155 1.299 ( 2.986 -3.430 -2.791) 5.336 1.396 ( 4.970 -3.975 2.859) 6.977 1.460 ( -0.508 1.968 3.527) 4.071 1.513 ( -1.888 2.202 3.060) 4.216 1.611 ( -2.393 -0.759 1.902) 3.149 1.694 ( -1.983 -0.501 -0.971) 2.264 1.802 ( -0.888 0.435 4.099) 4.217 1.937 ( 0.823 1.422 2.070) 2.643 1.990 ( -2.405 3.550 1.380) 4.505 2.069 ( 1.354 -0.640 -2.036) 2.527 2.110 ( 0.344 -2.910 -2.849) 4.087 2.134 ( -3.662 1.056 -3.048) 4.880 2.256 ( 2.396 -1.767 -3.569) 4.647 2.282 ( -0.489 0.075 -4.379) 4.407 2.338 ( 1.428 -1.075 -1.717) 2.479 2.390 ( 0.157 -0.350 1.103) 1.167 2.531 ( -1.241 1.129 0.526) 1.758 2.579 ( -0.298 -0.257 -0.827) 0.916 2.644 ( 0.541 -0.043 -2.046) 2.116 2.699 ( 0.978 -1.850 -1.570) 2.616 2.712 ( 2.425 -2.339 4.623) 5.721 2.819 ( -0.816 1.147 3.428) 3.706 2.914 ( 0.831 1.759 0.334) 1.974 2.928 ( 2.557 -4.122 3.930) 6.243 3.115 ( -0.534 -2.052 -0.753) 2.250 3.178 ( 4.130 1.104 -0.207) 4.280 3.254 ( 0.333 0.677 -0.209) 0.783 3.266 ( -3.312 -4.849 0.034) 5.872 3.321 ( 1.225 1.896 0.398) 2.292 3.449 ( -1.713 4.959 -1.578) 5.479 3.544 ( -2.637 2.149 0.097) 3.403 3.710 ( 2.115 4.239 -6.600) 8.124 3.885 ( -0.017 -3.617 4.333) 5.645 4.005 ( 0.081 -3.633 2.541) 4.434 4.023 ( -2.284 -1.718 4.027) 4.938 4.084 ( 1.364 -0.833 -1.271) 2.042 4.152 ( -0.432 -0.402 -2.756) 2.818 4.298 ( 1.636 -1.807 -4.100) 4.770 ======================= Grid point 140 (65/114) ======================= q-point: (-0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.494 ( -1.128 1.030 8.338) 8.477 0.547 ( -0.059 1.635 8.143) 8.305 0.707 ( -3.394 -1.831 5.514) 6.729 0.770 ( 5.318 -1.244 0.579) 5.492 0.832 ( -1.593 -2.963 -2.426) 4.147 0.897 ( 1.811 -1.026 -1.248) 2.427 0.950 ( -1.136 -0.693 -2.214) 2.583 1.109 ( -1.407 3.178 -3.460) 4.904 1.191 ( -0.577 -3.773 5.788) 6.934 1.269 ( -2.511 -1.293 10.488) 10.862 1.292 ( 0.987 3.102 4.353) 5.436 1.393 ( 3.065 1.345 2.996) 4.492 1.535 ( 4.681 -6.556 5.439) 9.720 1.582 ( -1.386 -4.785 1.276) 5.142 1.626 ( -0.427 -2.558 0.124) 2.596 1.695 ( -4.076 -1.728 -4.037) 5.992 1.787 ( -2.120 1.887 4.725) 5.512 1.868 ( -0.845 4.677 5.958) 7.622 1.950 ( 0.429 0.437 -2.206) 2.290 2.067 ( -2.730 1.248 -4.205) 5.167 2.098 ( 2.941 -0.544 -5.922) 6.634 2.151 ( -1.528 -1.412 1.485) 2.556 2.218 ( -3.497 2.883 -1.102) 4.664 2.304 ( 0.898 -1.264 -6.676) 6.854 2.374 ( 6.692 -0.176 -2.284) 7.073 2.434 ( 0.594 -2.028 -1.408) 2.539 2.489 ( -2.365 1.250 0.536) 2.728 2.573 ( -0.351 0.899 -2.696) 2.863 2.625 ( -2.236 0.098 -0.346) 2.265 2.745 ( 2.777 0.049 1.431) 3.124 2.755 ( -0.368 -2.603 -3.424) 4.317 2.831 ( -0.932 -1.099 1.332) 1.963 2.884 ( 1.823 -0.585 5.530) 5.852 3.027 ( 1.866 -0.977 4.467) 4.939 3.133 ( 3.081 -1.963 1.680) 4.021 3.210 ( 2.183 1.771 -0.389) 2.838 3.264 ( -4.505 -3.638 0.093) 5.791 3.300 ( 1.157 0.344 0.351) 1.257 3.331 ( 0.921 -1.799 -5.226) 5.603 3.360 ( -2.229 1.620 -1.449) 3.113 3.468 ( -1.527 3.830 -2.857) 5.017 3.655 ( 2.222 2.842 -8.150) 8.912 3.963 ( 0.548 -4.076 4.597) 6.168 4.024 ( -1.450 -1.311 4.528) 4.932 4.056 ( -1.468 -0.840 2.162) 2.745 4.095 ( 1.974 1.123 -0.222) 2.281 4.156 ( -0.404 -0.528 0.571) 0.876 4.329 ( 0.206 -0.963 -4.519) 4.625 ======================= Grid point 142 (66/114) ======================= q-point: ( 0.12 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.497 ( -0.421 -0.000 7.653) 7.665 0.588 ( 2.453 0.000 9.723) 10.028 0.668 ( -2.286 -0.000 3.400) 4.097 0.853 ( 0.385 0.000 -5.342) 5.356 0.854 ( -1.068 -0.000 -0.950) 1.429 0.918 ( -4.650 -0.000 -1.797) 4.985 0.949 ( 2.794 0.000 1.627) 3.233 1.014 ( 1.247 0.000 -1.924) 2.293 1.271 ( 3.806 0.000 18.675) 19.059 1.309 ( -1.898 -0.000 10.917) 11.081 1.368 ( 2.990 0.000 -1.570) 3.377 1.384 ( -5.503 -0.000 -1.431) 5.686 1.522 ( 0.890 0.000 1.697) 1.916 1.577 ( -4.702 -0.000 -8.264) 9.508 1.686 ( 4.209 0.000 4.280) 6.003 1.727 ( 2.908 0.000 6.375) 7.007 1.826 ( 3.590 0.000 1.385) 3.847 1.841 ( 0.101 0.000 -0.252) 0.271 1.954 ( 1.658 0.000 5.345) 5.597 2.056 ( -4.270 -0.000 -0.872) 4.358 2.062 ( -1.321 -0.000 -1.375) 1.907 2.070 ( -0.721 -0.000 -5.113) 5.164 2.232 ( 6.800 0.000 -6.346) 9.301 2.296 ( -0.777 -0.000 -3.905) 3.981 2.400 ( -4.407 -0.000 0.046) 4.407 2.427 ( -0.850 -0.000 -2.400) 2.546 2.507 ( 2.246 0.000 -0.744) 2.366 2.566 ( 0.904 0.000 -3.209) 3.334 2.587 ( -0.057 -0.000 -0.211) 0.218 2.719 ( -2.411 -0.000 -0.981) 2.603 2.807 ( -0.583 -0.000 -1.137) 1.278 2.839 ( 2.804 0.000 -2.573) 3.805 2.939 ( -1.137 -0.000 8.736) 8.810 3.057 ( -1.871 -0.000 3.107) 3.627 3.113 ( -4.052 -0.000 -1.903) 4.476 3.187 ( -7.568 -0.000 -0.676) 7.598 3.216 ( 0.144 0.000 2.234) 2.238 3.266 ( -2.185 -0.000 -1.843) 2.859 3.327 ( 3.223 0.000 -1.941) 3.762 3.343 ( 4.212 0.000 -3.815) 5.683 3.584 ( 7.852 0.000 -3.307) 8.521 3.652 ( 1.565 0.000 -8.008) 8.159 3.998 ( -2.110 -0.000 3.674) 4.237 4.040 ( 0.826 0.000 2.189) 2.340 4.062 ( 0.689 0.000 1.361) 1.525 4.107 ( 0.481 0.000 1.453) 1.530 4.155 ( -0.678 -0.000 3.748) 3.808 4.249 ( -5.508 -0.000 -1.371) 5.677 ======================= Grid point 143 (67/114) ======================= q-point: ( 0.25 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.515 ( 0.702 -1.129 4.457) 4.651 0.587 ( -1.171 1.380 6.070) 6.334 0.680 ( 0.883 -1.465 2.716) 3.209 0.790 ( -1.414 4.651 2.016) 5.263 0.837 ( -1.865 3.837 0.989) 4.379 0.877 ( -0.373 -3.000 -2.740) 4.080 0.975 ( -0.021 0.317 -0.910) 0.964 1.050 ( 2.128 -1.747 -3.965) 4.828 1.209 ( -2.448 6.283 8.154) 10.580 1.288 ( -0.637 3.436 4.294) 5.536 1.367 ( -3.293 -1.043 1.764) 3.879 1.390 ( -0.293 -0.403 -0.166) 0.525 1.527 ( -0.389 0.284 0.657) 0.815 1.558 ( 4.083 -1.415 2.124) 4.816 1.695 ( 3.364 2.607 1.584) 4.541 1.770 ( 3.837 -1.507 2.064) 4.610 1.776 ( 2.733 4.664 0.593) 5.438 1.912 ( -5.339 -3.495 -0.450) 6.397 1.961 ( -0.188 -0.273 1.315) 1.356 2.001 ( 1.425 2.678 2.468) 3.911 2.055 ( 0.380 -2.579 0.017) 2.607 2.119 ( -0.512 -1.920 -2.631) 3.297 2.245 ( 5.073 2.179 -3.728) 6.662 2.302 ( 0.209 -0.411 -5.475) 5.494 2.360 ( -2.461 0.761 -2.292) 3.448 2.422 ( -0.037 0.623 0.363) 0.722 2.501 ( 0.290 1.173 -1.559) 1.973 2.577 ( -0.224 -1.167 -1.839) 2.189 2.595 ( -0.506 -0.575 -0.551) 0.944 2.686 ( -2.766 0.899 0.091) 2.910 2.822 ( 1.049 3.061 -0.732) 3.318 2.830 ( 0.476 -1.576 -0.701) 1.789 2.893 ( -1.207 2.416 3.955) 4.789 3.043 ( -2.860 1.256 2.346) 3.907 3.084 ( -2.573 2.205 -2.213) 4.047 3.147 ( -5.814 -3.464 3.569) 7.652 3.222 ( -3.035 -1.583 -1.725) 3.833 3.247 ( -0.838 0.205 -1.735) 1.938 3.343 ( 5.241 0.823 -0.789) 5.363 3.383 ( 3.666 -0.670 -1.929) 4.196 3.617 ( 5.651 1.260 -1.927) 6.101 3.685 ( 0.699 -2.293 -7.298) 7.681 3.963 ( -0.490 2.226 4.136) 4.722 3.992 ( -0.784 3.414 2.847) 4.514 4.067 ( 0.858 0.441 1.000) 1.389 4.136 ( -0.273 0.252 1.566) 1.609 4.155 ( 0.253 -0.184 2.410) 2.430 4.223 ( -4.348 -2.027 -2.538) 5.427 ======================= Grid point 144 (68/114) ======================= q-point: ( 0.38 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.545 ( 0.241 0.012 1.185) 1.209 0.556 ( -0.001 0.484 4.174) 4.202 0.700 ( 0.735 0.418 0.399) 0.935 0.729 ( 0.214 0.474 2.716) 2.765 0.786 ( -0.145 0.863 2.900) 3.029 0.915 ( -3.613 3.803 -1.079) 5.355 0.942 ( 1.363 -3.152 -1.819) 3.886 1.087 ( 0.255 5.752 3.610) 6.795 1.101 ( 2.824 -0.911 -1.996) 3.577 1.203 ( -1.909 4.140 0.680) 4.610 1.324 ( -2.701 0.835 -7.579) 8.090 1.372 ( -3.724 1.285 -5.383) 6.671 1.568 ( 1.232 3.039 0.833) 3.384 1.606 ( 5.498 -2.750 6.119) 8.674 1.687 ( 3.275 1.875 -1.747) 4.158 1.710 ( 3.780 3.119 1.556) 5.142 1.780 ( -0.920 2.195 1.967) 3.088 1.901 ( -5.877 -2.070 0.631) 6.263 1.988 ( 1.283 -2.201 -0.190) 2.555 2.020 ( 1.410 -2.767 2.574) 4.033 2.075 ( 0.460 3.335 -2.879) 4.430 2.131 ( -2.221 -2.094 0.432) 3.083 2.261 ( 4.326 0.509 -3.060) 5.323 2.301 ( 1.237 -0.489 -2.624) 2.941 2.346 ( 2.265 0.994 -1.265) 2.779 2.403 ( -0.259 1.123 -0.180) 1.166 2.479 ( -0.523 0.486 1.164) 1.366 2.571 ( -1.413 1.898 -1.602) 2.857 2.590 ( -2.614 -0.242 -0.205) 2.633 2.675 ( -2.039 -2.261 1.125) 3.246 2.753 ( -1.854 3.241 0.772) 3.813 2.836 ( 1.645 0.858 1.389) 2.318 2.886 ( -0.810 -0.206 -1.312) 1.556 2.988 ( -2.577 4.064 -3.234) 5.798 3.012 ( -3.623 0.096 3.449) 5.003 3.178 ( 1.775 -1.321 2.613) 3.423 3.231 ( -1.527 -0.401 -1.831) 2.418 3.266 ( -3.096 -4.472 1.262) 5.583 3.361 ( 2.102 0.977 -0.388) 2.351 3.438 ( 3.717 -3.337 0.154) 4.998 3.624 ( 2.645 2.012 0.863) 3.433 3.709 ( 0.157 -0.855 -5.737) 5.803 3.936 ( -1.421 0.672 2.056) 2.588 3.945 ( 1.265 1.922 2.597) 3.470 4.038 ( 0.430 3.463 0.782) 3.576 4.112 ( -0.138 1.962 1.434) 2.434 4.148 ( -0.422 0.347 -0.266) 0.607 4.237 ( -1.521 -1.453 -4.457) 4.928 ======================= Grid point 145 (69/114) ======================= q-point: ( 0.50 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.510 ( 0.319 0.719 3.544) 3.630 0.625 ( 1.746 -4.562 0.936) 4.974 0.681 ( 1.331 3.167 -0.407) 3.459 0.745 ( -1.421 -0.626 0.012) 1.553 0.795 ( 2.516 -0.711 3.382) 4.275 0.846 ( -3.107 -0.941 -3.630) 4.870 0.930 ( 0.994 5.758 1.245) 5.974 1.039 ( 1.171 0.006 0.276) 1.203 1.131 ( -0.707 1.432 0.947) 1.856 1.160 ( 1.801 -2.102 -5.226) 5.914 1.261 ( -0.762 4.093 -8.869) 9.798 1.335 ( -3.299 -1.063 -6.495) 7.362 1.431 ( -0.073 8.913 -4.666) 10.061 1.660 ( -0.988 0.599 -2.214) 2.497 1.708 ( 1.290 2.029 0.520) 2.460 1.720 ( 0.020 -3.295 5.238) 6.188 1.745 ( 5.459 0.685 -1.040) 5.599 1.916 ( -3.147 -3.371 2.955) 5.477 1.994 ( -0.977 3.821 -3.211) 5.085 2.045 ( 2.386 -1.765 -0.112) 2.970 2.078 ( -0.805 -1.885 -1.827) 2.745 2.130 ( -0.591 0.141 2.917) 2.979 2.250 ( -0.635 1.317 -0.397) 1.515 2.322 ( 2.393 2.069 -3.627) 4.813 2.339 ( 3.039 1.835 -0.784) 3.636 2.415 ( 1.470 -2.222 1.281) 2.956 2.484 ( 0.486 -0.761 3.672) 3.782 2.524 ( -0.906 1.520 0.735) 1.916 2.576 ( -3.122 -2.204 -0.365) 3.838 2.681 ( -2.949 0.848 -0.091) 3.070 2.731 ( 0.169 -2.026 1.259) 2.391 2.829 ( 0.527 2.211 1.325) 2.631 2.859 ( -1.868 0.952 0.237) 2.110 2.919 ( -0.367 0.856 -3.884) 3.994 3.001 ( -3.414 -1.183 3.785) 5.233 3.205 ( -2.511 0.520 -0.312) 2.583 3.242 ( 6.062 -0.670 3.083) 6.834 3.316 ( -2.016 -2.931 1.225) 3.763 3.346 ( 0.504 1.620 -1.728) 2.421 3.558 ( 1.546 -6.865 1.556) 7.207 3.585 ( -1.405 1.876 3.386) 4.118 3.718 ( 3.543 1.422 -2.529) 4.579 3.897 ( -1.119 2.516 1.673) 3.222 3.937 ( -0.970 1.523 -0.161) 1.813 3.983 ( 0.377 1.022 0.206) 1.109 4.076 ( 0.661 2.211 0.533) 2.369 4.140 ( -0.414 0.074 -3.995) 4.017 4.238 ( -0.199 -0.088 -4.451) 4.456 ======================= Grid point 146 (70/114) ======================= q-point: (-0.38 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( 1.783 -2.441 1.789) 3.513 0.621 ( -1.827 2.040 0.528) 2.788 0.672 ( -0.707 2.549 1.928) 3.273 0.742 ( -0.049 -0.694 1.279) 1.456 0.806 ( 2.378 2.750 0.851) 3.734 0.887 ( -1.687 -4.303 -6.297) 7.811 0.905 ( 2.057 -3.210 0.200) 3.818 1.006 ( -0.894 1.059 1.786) 2.261 1.106 ( 2.033 4.637 -4.629) 6.860 1.179 ( -3.644 -0.052 -4.269) 5.613 1.199 ( 0.616 0.236 -6.641) 6.674 1.311 ( 2.187 1.604 -4.185) 4.987 1.364 ( -0.696 -2.679 -6.307) 6.888 1.635 ( 0.426 2.275 -3.354) 4.075 1.697 ( -3.772 -1.554 4.196) 5.852 1.746 ( 0.204 -0.821 1.683) 1.884 1.780 ( 5.267 1.466 -3.090) 6.280 1.923 ( -3.669 1.228 -3.177) 5.006 1.965 ( -1.250 -2.703 3.433) 4.545 2.065 ( 4.537 1.280 2.039) 5.136 2.098 ( -1.299 -1.841 1.035) 2.480 2.130 ( -0.653 0.495 -1.709) 1.896 2.226 ( -0.711 0.422 -0.635) 1.043 2.281 ( 2.325 2.872 -4.042) 5.477 2.330 ( 1.291 1.130 -0.134) 1.721 2.432 ( -3.028 -0.223 1.923) 3.594 2.501 ( -0.841 -0.715 0.863) 1.401 2.535 ( 1.393 -2.064 1.754) 3.046 2.634 ( 3.019 -2.354 0.197) 3.834 2.652 ( -2.218 -0.294 1.628) 2.767 2.745 ( 0.747 1.036 -0.444) 1.352 2.804 ( 0.610 0.601 4.005) 4.096 2.836 ( -1.660 -0.791 0.155) 1.845 2.943 ( -0.215 -3.458 -3.073) 4.631 3.001 ( -1.798 -0.257 4.367) 4.730 3.165 ( -3.715 0.638 1.220) 3.962 3.286 ( 1.064 1.093 1.892) 2.430 3.312 ( 3.700 2.271 -0.702) 4.397 3.346 ( 0.519 -1.028 0.110) 1.157 3.542 ( -2.344 0.689 2.139) 3.247 3.684 ( 3.246 3.533 0.100) 4.799 3.715 ( 0.388 -6.076 2.315) 6.513 3.838 ( -1.374 2.080 1.418) 2.868 3.893 ( 0.146 1.879 -0.554) 1.965 3.998 ( -1.006 -1.603 -0.602) 1.986 4.049 ( 0.140 0.942 -0.418) 1.040 4.136 ( 0.304 -0.212 -5.826) 5.837 4.242 ( 0.487 -0.822 -4.192) 4.299 ======================= Grid point 147 (71/114) ======================= q-point: (-0.25 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.566 ( -0.902 2.956 3.016) 4.318 0.587 ( -1.978 -1.956 4.580) 5.358 0.641 ( -1.090 1.242 1.455) 2.202 0.711 ( 3.825 0.814 0.125) 3.913 0.797 ( -3.834 0.553 0.078) 3.874 0.924 ( 3.378 -1.235 -3.850) 5.269 0.958 ( -2.088 -2.836 -0.029) 3.522 1.013 ( 0.400 3.019 -1.820) 3.548 1.095 ( 2.037 -5.001 -3.283) 6.320 1.145 ( -4.392 -0.801 -2.561) 5.147 1.239 ( 3.205 -4.408 -5.909) 8.039 1.353 ( 2.711 -3.923 -2.285) 5.288 1.421 ( 0.818 -3.396 -5.004) 6.103 1.588 ( -0.598 3.191 -1.671) 3.651 1.635 ( -2.794 4.919 7.777) 9.617 1.731 ( 0.926 3.436 1.854) 4.013 1.798 ( -0.009 0.010 0.951) 0.951 1.914 ( -2.554 -3.685 -2.315) 5.046 2.020 ( 0.258 -3.593 4.101) 5.459 2.060 ( 0.564 3.927 0.849) 4.057 2.086 ( -1.388 0.340 -1.595) 2.142 2.130 ( 1.809 -0.126 -3.095) 3.587 2.231 ( 0.296 -1.194 -2.651) 2.923 2.270 ( 2.212 -0.224 -5.081) 5.547 2.331 ( 0.579 -0.207 -0.295) 0.682 2.401 ( -1.912 0.675 1.884) 2.768 2.520 ( -1.235 -1.379 0.708) 1.982 2.555 ( -2.503 -0.776 -0.382) 2.648 2.651 ( 1.341 0.648 -0.151) 1.497 2.677 ( 0.037 -1.196 0.186) 1.211 2.734 ( 3.544 0.859 4.287) 5.628 2.811 ( -2.560 -1.082 5.104) 5.812 2.893 ( 4.826 -3.415 -0.822) 5.969 2.959 ( -0.876 2.460 1.631) 3.078 3.022 ( -2.924 -4.902 -0.704) 5.752 3.152 ( -4.270 -2.852 0.364) 5.147 3.241 ( 1.176 2.697 0.731) 3.032 3.308 ( 2.382 2.379 0.330) 3.383 3.365 ( 3.700 0.590 0.812) 3.834 3.511 ( -1.981 1.734 -0.162) 2.637 3.590 ( -1.075 6.106 1.243) 6.323 3.779 ( 0.300 1.012 -3.772) 3.916 3.844 ( 1.708 -1.380 2.514) 3.338 3.908 ( -0.610 -4.942 2.009) 5.370 3.999 ( -1.993 -0.011 2.386) 3.110 4.062 ( 0.235 -2.106 -1.701) 2.717 4.143 ( 0.871 -0.379 -4.266) 4.371 4.268 ( 0.552 -1.936 -4.765) 5.172 ======================= Grid point 148 (72/114) ======================= q-point: (-0.12 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.529 ( -0.667 2.202 5.789) 6.229 0.582 ( 2.827 0.853 5.084) 5.879 0.637 ( -4.758 -2.976 4.886) 7.441 0.763 ( -2.953 -1.636 -2.002) 3.925 0.778 ( 4.582 -2.007 3.232) 5.955 0.912 ( 0.161 2.800 -2.573) 3.806 0.958 ( 2.599 -0.037 -4.873) 5.523 1.083 ( -1.592 -5.915 -1.120) 6.227 1.128 ( -3.428 -0.345 -1.395) 3.717 1.167 ( -0.030 -5.453 4.019) 6.774 1.379 ( 6.701 -3.823 -4.437) 8.899 1.437 ( -0.761 2.497 4.430) 5.142 1.478 ( 2.072 -0.663 4.005) 4.558 1.486 ( -2.564 -3.356 0.914) 4.322 1.593 ( 0.098 -0.555 1.126) 1.259 1.688 ( 1.099 1.730 -0.916) 2.245 1.784 ( -1.739 0.543 3.675) 4.102 1.938 ( -0.189 1.950 3.079) 3.649 1.985 ( 1.079 2.498 -0.506) 2.768 2.055 ( -4.133 -0.310 -2.974) 5.101 2.098 ( 2.350 -2.046 2.249) 3.843 2.129 ( 0.954 1.028 -5.285) 5.468 2.234 ( -3.462 1.564 -0.748) 3.872 2.283 ( 1.416 -0.936 -7.427) 7.619 2.352 ( 0.050 -3.225 0.126) 3.228 2.422 ( 2.079 -1.418 -1.200) 2.788 2.504 ( -2.182 1.241 2.176) 3.322 2.555 ( -0.843 -0.919 -0.117) 1.253 2.638 ( -1.142 1.246 -1.121) 2.028 2.704 ( 1.067 -2.421 -2.218) 3.453 2.760 ( 1.336 0.083 3.470) 3.719 2.813 ( -0.891 -0.641 3.350) 3.525 2.910 ( 0.132 2.070 2.590) 3.318 2.989 ( 2.869 -3.593 2.494) 5.231 3.088 ( -2.415 -4.977 -2.450) 6.050 3.184 ( -2.098 -2.986 -0.393) 3.671 3.238 ( 0.267 -1.423 1.751) 2.272 3.272 ( 1.192 2.687 -0.076) 2.941 3.382 ( 4.005 1.277 0.206) 4.209 3.420 ( -1.783 6.640 -1.681) 7.078 3.502 ( -1.278 1.831 -1.048) 2.467 3.733 ( 1.934 3.813 -7.765) 8.864 3.899 ( 0.644 -3.481 4.735) 5.912 3.986 ( -2.814 -1.589 4.207) 5.305 4.006 ( 0.034 -3.763 1.876) 4.205 4.103 ( 0.935 -1.662 -0.590) 1.996 4.150 ( 0.431 -0.066 -1.156) 1.236 4.300 ( -0.426 -1.611 -5.396) 5.647 ======================= Grid point 151 (73/114) ======================= q-point: ( 0.25 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.512 ( 1.139 0.000 4.660) 4.797 0.628 ( 0.990 0.000 8.078) 8.138 0.651 ( -0.476 -0.000 2.118) 2.171 0.814 ( -4.017 -0.000 -0.083) 4.018 0.829 ( -1.731 -0.000 -3.919) 4.284 0.869 ( -0.838 -0.000 2.254) 2.405 0.985 ( 1.588 0.000 -0.803) 1.779 1.055 ( 3.930 0.000 -1.709) 4.286 1.226 ( -7.852 -0.000 5.916) 9.831 1.330 ( -3.185 -0.000 2.091) 3.811 1.349 ( 0.504 0.000 2.788) 2.833 1.363 ( -2.824 -0.000 0.423) 2.856 1.531 ( 1.657 0.000 2.188) 2.745 1.570 ( 3.476 0.000 6.080) 7.003 1.754 ( -0.625 -0.000 -0.142) 0.641 1.780 ( 1.291 0.000 -0.100) 1.295 1.832 ( 3.489 0.000 2.359) 4.212 1.847 ( 0.902 0.000 3.909) 4.012 1.965 ( -0.429 -0.000 -1.321) 1.389 2.031 ( 0.194 0.000 1.779) 1.789 2.062 ( 0.735 0.000 -4.831) 4.887 2.106 ( 6.043 0.000 4.019) 7.258 2.268 ( -1.714 -0.000 -4.395) 4.717 2.331 ( -4.044 -0.000 -0.934) 4.151 2.331 ( 6.961 0.000 -8.002) 10.606 2.424 ( 0.504 0.000 -0.598) 0.782 2.501 ( -4.115 -0.000 0.193) 4.119 2.564 ( 0.297 0.000 -3.506) 3.519 2.588 ( -0.087 -0.000 -1.742) 1.744 2.677 ( -2.192 -0.000 -1.726) 2.790 2.803 ( 0.211 0.000 -0.203) 0.293 2.866 ( 1.188 0.000 -1.733) 2.101 2.939 ( -0.224 -0.000 5.938) 5.942 3.013 ( -4.507 -0.000 2.831) 5.322 3.032 ( -6.829 -0.000 -0.335) 6.837 3.107 ( -0.674 -0.000 -1.726) 1.853 3.204 ( -2.021 -0.000 0.133) 2.025 3.226 ( -2.179 -0.000 -4.229) 4.758 3.393 ( 5.008 0.000 -1.594) 5.256 3.415 ( 4.913 0.000 -0.937) 5.002 3.663 ( 1.487 0.000 -5.964) 6.146 3.667 ( 3.385 0.000 -2.156) 4.014 3.988 ( 0.314 0.000 3.450) 3.464 4.056 ( 0.853 0.000 -1.435) 1.670 4.070 ( -0.173 -0.000 1.963) 1.970 4.082 ( -4.462 -0.000 2.207) 4.978 4.153 ( -0.304 -0.000 4.649) 4.659 4.187 ( -1.617 -0.000 0.878) 1.840 ======================= Grid point 152 (74/114) ======================= q-point: ( 0.38 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.537 ( 1.570 -0.903 1.270) 2.212 0.597 ( 1.397 2.345 5.467) 6.111 0.681 ( -0.816 -1.414 0.800) 1.818 0.752 ( -2.446 2.924 2.134) 4.369 0.842 ( 1.212 2.521 4.513) 5.310 0.864 ( -0.745 -4.441 -0.417) 4.522 0.968 ( 0.068 3.040 -2.459) 3.911 1.093 ( 2.256 -1.226 -1.066) 2.780 1.160 ( -4.257 2.130 4.940) 6.860 1.257 ( -3.443 3.834 1.518) 5.372 1.319 ( -3.977 1.286 -1.524) 4.449 1.344 ( -3.155 -0.180 -6.606) 7.323 1.576 ( 4.054 -1.130 9.116) 10.041 1.624 ( 3.647 -1.737 2.965) 5.011 1.720 ( 0.164 1.098 -1.695) 2.026 1.798 ( -2.201 -0.178 -0.473) 2.258 1.824 ( 2.753 1.645 3.356) 4.642 1.874 ( 2.976 3.602 -0.220) 4.678 1.953 ( 0.544 -1.468 1.073) 1.898 2.043 ( 2.902 2.296 2.271) 4.342 2.061 ( -1.189 -3.435 1.854) 4.081 2.130 ( 1.511 2.684 -2.608) 4.036 2.283 ( 2.508 -2.346 -1.697) 3.830 2.291 ( -1.955 0.819 -3.277) 3.902 2.370 ( 4.046 0.084 -4.521) 6.067 2.418 ( -1.321 0.462 0.643) 1.540 2.488 ( -1.909 -0.870 -1.606) 2.642 2.548 ( -1.987 0.134 -2.392) 3.113 2.575 ( -1.470 0.822 -2.950) 3.397 2.660 ( -0.269 0.671 -0.685) 0.996 2.809 ( -1.544 3.446 0.599) 3.823 2.848 ( 1.576 -1.304 -1.233) 2.388 2.893 ( -0.037 2.299 1.637) 2.823 2.974 ( -5.928 0.698 1.133) 6.076 3.053 ( -2.047 1.746 -1.635) 3.149 3.084 ( -2.052 -4.670 4.308) 6.677 3.182 ( -2.247 0.285 -0.662) 2.360 3.238 ( 0.585 -2.244 -3.498) 4.197 3.412 ( 3.708 1.757 -1.077) 4.242 3.447 ( 4.356 -0.134 -0.222) 4.363 3.670 ( 0.131 1.362 -1.411) 1.965 3.685 ( 2.231 -1.416 -4.764) 5.448 3.968 ( -0.122 3.310 1.925) 3.831 3.986 ( -0.370 1.644 3.807) 4.163 4.068 ( -1.100 0.230 0.384) 1.187 4.122 ( -1.850 -0.728 1.500) 2.491 4.165 ( 0.445 -0.358 1.697) 1.790 4.178 ( -0.616 -1.345 -0.613) 1.602 ======================= Grid point 153 (75/114) ======================= q-point: ( 0.50 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.559 ( 1.380 2.360 3.849) 4.722 0.582 ( 2.287 -1.250 1.813) 3.175 0.696 ( -0.471 -1.385 -2.122) 2.578 0.725 ( 0.067 -0.701 1.308) 1.485 0.825 ( 2.704 1.122 5.000) 5.794 0.879 ( -0.653 5.705 -0.526) 5.766 0.950 ( 0.220 -4.845 -1.787) 5.169 1.079 ( -1.551 4.787 4.978) 7.078 1.124 ( -2.716 -1.141 -1.975) 3.546 1.163 ( -2.027 2.868 1.793) 3.943 1.292 ( -0.208 0.346 -6.915) 6.927 1.307 ( -1.767 1.059 -8.181) 8.436 1.574 ( -0.184 5.534 -0.168) 5.539 1.662 ( -1.255 1.167 -0.366) 1.752 1.695 ( 2.457 0.222 4.056) 4.747 1.778 ( 0.622 2.482 1.037) 2.761 1.805 ( 3.314 1.199 -1.023) 3.670 1.850 ( 1.213 -0.670 1.026) 1.724 2.015 ( -0.763 -4.163 0.771) 4.302 2.041 ( -0.214 1.853 -2.048) 2.770 2.049 ( 1.348 1.714 -0.721) 2.297 2.129 ( 1.188 -1.473 3.700) 4.156 2.267 ( -1.796 -0.158 -1.539) 2.370 2.354 ( 4.169 0.198 -2.217) 4.726 2.385 ( 1.631 0.229 -1.216) 2.047 2.402 ( 0.139 0.168 -0.754) 0.784 2.477 ( 0.465 -0.531 0.608) 0.931 2.522 ( -4.045 0.714 -1.927) 4.537 2.550 ( -1.216 0.786 -1.529) 2.106 2.653 ( -1.156 -0.936 0.402) 1.541 2.724 ( -1.668 3.055 1.085) 3.646 2.861 ( 1.123 0.712 0.177) 1.341 2.874 ( -0.967 1.442 -0.353) 1.772 2.939 ( -4.983 -1.968 2.356) 5.852 2.974 ( 1.376 4.534 -3.066) 5.644 3.164 ( -4.260 -2.575 -2.378) 5.517 3.200 ( -0.806 -5.928 6.071) 8.524 3.288 ( 3.922 -1.310 -0.641) 4.184 3.391 ( 1.744 2.439 -0.425) 3.028 3.495 ( 2.892 -2.207 0.635) 3.693 3.621 ( -1.688 2.974 0.864) 3.527 3.733 ( 2.499 -1.991 -4.312) 5.367 3.921 ( -0.488 1.820 1.847) 2.639 3.962 ( 0.005 1.813 2.878) 3.401 4.031 ( -1.218 2.796 -0.235) 3.059 4.102 ( -1.287 1.069 1.416) 2.192 4.156 ( 1.537 1.175 -0.845) 2.110 4.213 ( -0.792 -1.852 -3.347) 3.906 ======================= Grid point 154 (76/114) ======================= q-point: ( 0.62 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.539 ( 2.495 0.118 3.572) 4.358 0.654 ( 1.075 -1.898 0.485) 2.234 0.696 ( 0.423 3.010 -0.273) 3.051 0.734 ( 1.292 -1.107 -0.597) 1.803 0.807 ( -0.651 -0.134 -3.136) 3.206 0.862 ( 3.809 -1.810 3.011) 5.182 0.944 ( 1.131 6.416 -0.447) 6.530 1.041 ( -1.943 1.889 2.758) 3.866 1.085 ( -3.081 -3.213 -0.951) 4.551 1.143 ( -4.359 -0.552 -2.219) 4.922 1.244 ( 0.558 2.930 -9.801) 10.245 1.303 ( 0.833 0.037 -7.448) 7.494 1.431 ( 0.949 7.078 -1.674) 7.335 1.625 ( -2.131 -0.234 -1.984) 2.921 1.705 ( -1.259 3.010 0.827) 3.366 1.738 ( 2.102 -0.157 1.447) 2.557 1.844 ( 5.779 0.579 -3.003) 6.538 1.893 ( -0.880 -3.972 4.023) 5.722 1.948 ( -3.415 4.047 -5.533) 7.658 2.063 ( 0.374 -1.789 1.694) 2.492 2.109 ( 4.426 -1.832 -2.029) 5.202 2.146 ( 1.742 0.821 2.029) 2.798 2.235 ( -0.959 2.062 0.590) 2.349 2.336 ( -0.407 1.323 -1.917) 2.364 2.373 ( 0.347 1.981 -1.038) 2.263 2.404 ( -1.194 0.702 0.066) 1.387 2.475 ( -4.755 -1.107 1.864) 5.226 2.521 ( 0.807 0.521 1.347) 1.655 2.573 ( 3.434 -5.265 0.858) 6.344 2.641 ( -1.403 0.409 -0.434) 1.524 2.721 ( -1.645 -2.417 1.875) 3.473 2.825 ( -1.492 1.214 1.882) 2.691 2.860 ( 2.246 1.916 -1.164) 3.173 2.906 ( -1.541 1.014 -3.349) 3.823 2.970 ( -0.401 -1.847 3.734) 4.185 3.153 ( -3.621 0.232 0.301) 3.641 3.294 ( 0.254 -3.131 2.365) 3.932 3.326 ( 1.998 0.015 0.043) 1.999 3.375 ( 3.481 0.869 0.745) 3.664 3.542 ( -2.376 0.583 -0.905) 2.609 3.596 ( 0.780 -4.279 4.808) 6.483 3.767 ( 2.422 0.848 -2.022) 3.267 3.885 ( -0.397 2.710 1.938) 3.356 3.919 ( -1.400 2.002 -0.102) 2.445 3.980 ( -0.799 1.115 0.379) 1.423 4.071 ( -0.867 1.518 -0.721) 1.891 4.149 ( 2.156 0.996 -3.424) 4.167 4.225 ( -0.599 -0.742 -4.214) 4.320 ======================= Grid point 155 (77/114) ======================= q-point: (-0.25 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.574 ( -0.419 3.152 2.060) 3.789 0.608 ( 2.035 -2.330 0.253) 3.104 0.671 ( -0.004 4.896 2.364) 5.437 0.744 ( 0.444 -1.583 -0.121) 1.649 0.821 ( -2.071 5.598 -0.726) 6.013 0.880 ( 2.880 -3.089 -2.096) 4.714 0.939 ( 1.961 -0.646 -2.655) 3.363 0.993 ( -1.758 -3.921 1.982) 4.733 1.067 ( -3.411 0.927 -1.806) 3.969 1.149 ( 0.566 3.469 -5.977) 6.934 1.204 ( 1.060 -2.572 -6.717) 7.270 1.295 ( -1.071 -1.371 -8.509) 8.685 1.402 ( 4.218 -0.107 0.756) 4.286 1.624 ( -0.887 2.102 -6.152) 6.561 1.655 ( -2.327 -1.320 3.706) 4.571 1.773 ( 2.500 -0.998 2.095) 3.411 1.842 ( 2.962 2.788 -1.713) 4.414 1.846 ( -4.687 2.358 -4.581) 6.965 1.969 ( 0.959 -3.519 5.444) 6.553 2.087 ( -0.019 0.094 0.212) 0.233 2.125 ( 0.995 2.868 -1.434) 3.357 2.145 ( 3.656 -0.021 0.229) 3.663 2.225 ( 0.707 -0.313 -2.987) 3.086 2.301 ( 0.476 1.940 -3.031) 3.630 2.336 ( -1.464 1.028 -0.252) 1.807 2.379 ( -2.879 -0.273 2.427) 3.775 2.478 ( -2.300 -2.058 1.793) 3.569 2.528 ( -0.559 -0.300 0.957) 1.148 2.638 ( -1.371 -1.492 1.371) 2.446 2.680 ( 2.889 -1.452 0.680) 3.304 2.738 ( -1.762 -1.391 3.553) 4.203 2.812 ( 1.586 0.822 0.958) 2.027 2.864 ( 2.947 -1.674 -1.115) 3.568 2.911 ( -3.173 -3.332 -0.749) 4.661 2.992 ( 0.050 0.198 3.507) 3.513 3.113 ( -2.384 0.838 2.185) 3.341 3.288 ( -0.144 1.869 -0.446) 1.927 3.347 ( 1.082 0.384 -1.054) 1.558 3.404 ( 4.051 -0.093 2.423) 4.721 3.509 ( -1.671 0.665 0.229) 1.813 3.704 ( -2.187 -0.697 1.784) 2.907 3.709 ( -0.788 0.926 2.209) 2.522 3.843 ( 1.744 0.559 1.633) 2.454 3.893 ( 0.000 0.799 -1.062) 1.329 3.985 ( -0.259 -1.383 -0.258) 1.431 4.036 ( -0.985 0.914 -2.003) 2.412 4.150 ( 2.064 0.399 -3.936) 4.462 4.235 ( -0.277 -1.398 -4.980) 5.180 ======================= Grid point 156 (78/114) ======================= q-point: (-0.12 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.541 ( -2.849 -1.841 4.078) 5.305 0.582 ( 1.021 3.779 2.402) 4.593 0.645 ( 0.685 2.279 2.169) 3.220 0.741 ( -2.321 1.212 -1.490) 3.013 0.782 ( 3.844 -1.752 0.876) 4.314 0.925 ( -1.830 -1.703 -0.113) 2.503 0.979 ( 0.176 -3.790 -0.927) 3.905 0.991 ( 0.171 1.890 -4.491) 4.876 1.057 ( -2.067 -0.583 -0.454) 2.195 1.150 ( 2.539 -1.106 -4.119) 4.964 1.286 ( 2.837 -6.582 -5.661) 9.133 1.365 ( 1.025 -6.677 -7.958) 10.438 1.443 ( 1.840 -1.113 1.467) 2.603 1.571 ( -0.332 2.499 -3.864) 4.613 1.628 ( 0.229 4.188 6.613) 7.831 1.733 ( -1.196 3.539 4.070) 5.525 1.795 ( -1.416 0.710 0.399) 1.633 1.900 ( 2.046 -5.019 -2.597) 6.010 2.020 ( -1.003 -0.503 2.758) 2.977 2.057 ( 0.162 4.250 -2.196) 4.787 2.084 ( 0.904 -0.318 1.689) 1.942 2.178 ( 3.379 0.957 -3.135) 4.708 2.208 ( -2.512 -0.166 -1.439) 2.900 2.286 ( 0.245 0.514 -6.391) 6.417 2.314 ( -1.755 -0.618 1.808) 2.594 2.393 ( 0.023 -1.992 0.110) 1.996 2.493 ( -1.903 -0.809 3.008) 3.650 2.535 ( 0.305 -0.937 0.484) 1.097 2.638 ( -1.782 0.231 0.681) 1.922 2.692 ( 1.548 0.010 -1.166) 1.938 2.769 ( -1.443 -1.918 4.453) 5.059 2.806 ( 1.194 1.647 3.250) 3.834 2.930 ( -1.218 -1.828 -1.768) 2.820 2.960 ( -2.084 -5.598 -2.144) 6.347 2.979 ( 2.395 0.852 4.857) 5.482 3.117 ( -0.111 -2.061 1.209) 2.392 3.258 ( 0.131 1.373 0.331) 1.419 3.323 ( 0.696 2.288 -1.271) 2.708 3.421 ( 0.071 0.810 0.299) 0.867 3.500 ( 2.642 0.496 0.008) 2.688 3.558 ( -2.792 7.947 2.185) 8.702 3.753 ( -2.880 -1.665 -1.817) 3.791 3.885 ( 2.073 0.216 0.267) 2.101 3.916 ( 1.952 -4.885 2.217) 5.709 3.976 ( -1.350 0.847 0.996) 1.879 4.059 ( -0.167 -3.106 -1.095) 3.297 4.155 ( 1.029 0.173 -2.407) 2.623 4.261 ( -0.224 -1.913 -5.738) 6.052 ======================= Grid point 160 (79/114) ======================= q-point: ( 0.38 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( 2.050 0.000 1.089) 2.321 0.648 ( 0.389 0.000 3.154) 3.178 0.663 ( 1.761 0.000 3.148) 3.607 0.776 ( -0.583 -0.000 3.351) 3.401 0.805 ( -0.595 -0.000 -0.066) 0.598 0.878 ( 1.001 0.000 4.166) 4.285 1.001 ( 1.137 0.000 -4.070) 4.226 1.091 ( -1.608 -0.000 0.299) 1.636 1.136 ( -4.596 -0.000 3.738) 5.924 1.260 ( -5.464 -0.000 -1.093) 5.572 1.264 ( -5.785 -0.000 2.092) 6.151 1.349 ( 0.063 0.000 -5.228) 5.228 1.605 ( 4.150 0.000 3.070) 5.162 1.632 ( 2.688 0.000 9.984) 10.339 1.744 ( 0.464 0.000 -0.723) 0.859 1.760 ( -0.263 -0.000 0.982) 1.016 1.863 ( 0.599 0.000 1.361) 1.487 1.946 ( 6.161 0.000 3.945) 7.316 1.962 ( -0.063 -0.000 -1.401) 1.402 2.002 ( -3.220 -0.000 2.543) 4.103 2.093 ( 2.413 0.000 -0.700) 2.513 2.213 ( 6.064 0.000 3.040) 6.783 2.240 ( -0.242 -0.000 -4.404) 4.411 2.288 ( -0.880 -0.000 -1.666) 1.884 2.358 ( -7.239 -0.000 -3.148) 7.894 2.427 ( 1.087 0.000 -5.108) 5.223 2.438 ( 1.351 0.000 0.085) 1.354 2.564 ( -0.049 -0.000 -4.888) 4.889 2.572 ( -1.542 -0.000 -3.028) 3.399 2.664 ( 0.887 0.000 -2.441) 2.597 2.814 ( 1.032 0.000 1.263) 1.631 2.871 ( -0.146 -0.000 -1.384) 1.391 2.911 ( -7.683 -0.000 1.451) 7.819 2.954 ( 1.061 0.000 3.743) 3.891 2.961 ( -2.155 -0.000 0.818) 2.305 3.143 ( 4.299 0.000 0.868) 4.386 3.161 ( -3.165 -0.000 -1.818) 3.650 3.183 ( -2.504 -0.000 -4.690) 5.316 3.460 ( 3.689 0.000 -1.857) 4.130 3.475 ( 2.798 0.000 -1.211) 3.049 3.679 ( 1.537 0.000 -3.894) 4.186 3.688 ( 0.211 0.000 -1.001) 1.023 3.991 ( -4.370 -0.000 4.750) 6.455 4.027 ( 0.915 0.000 1.363) 1.642 4.053 ( -1.387 -0.000 0.946) 1.679 4.065 ( -0.165 -0.000 -0.679) 0.699 4.164 ( 0.715 0.000 3.433) 3.506 4.186 ( 0.601 0.000 1.390) 1.515 ======================= Grid point 161 (80/114) ======================= q-point: ( 0.50 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.569 ( 2.806 -0.913 -0.832) 3.066 0.639 ( 1.952 2.073 5.010) 5.762 0.671 ( -0.100 0.014 -0.750) 0.757 0.748 ( 1.226 2.273 4.025) 4.782 0.854 ( -0.609 -3.084 2.430) 3.974 0.879 ( 2.436 0.471 4.038) 4.740 0.968 ( 0.334 3.593 -2.648) 4.476 1.064 ( -6.935 -1.097 -0.900) 7.079 1.110 ( -2.450 0.466 2.251) 3.359 1.192 ( -4.179 2.295 1.970) 5.159 1.270 ( -0.389 -2.329 0.249) 2.374 1.328 ( 1.806 2.258 -8.723) 9.190 1.640 ( 2.256 1.566 7.823) 8.291 1.657 ( -0.114 -1.250 -0.842) 1.511 1.738 ( 2.197 1.101 2.873) 3.781 1.763 ( -1.732 -0.237 0.316) 1.777 1.877 ( 3.384 -0.679 -1.727) 3.859 1.892 ( -1.480 4.649 1.265) 5.040 1.967 ( -0.187 0.330 2.823) 2.848 2.033 ( -1.168 -1.461 -0.598) 1.964 2.120 ( 5.386 -0.003 4.098) 6.768 2.144 ( 1.513 4.257 -0.883) 4.604 2.219 ( -5.793 0.968 -1.149) 5.984 2.334 ( -1.236 -4.451 -0.775) 4.684 2.381 ( 2.745 -2.697 -2.232) 4.448 2.415 ( 0.997 0.888 -3.952) 4.171 2.471 ( 0.357 -0.789 -1.586) 1.807 2.526 ( -0.506 1.592 -2.379) 2.907 2.550 ( -0.963 1.048 -4.535) 4.753 2.664 ( 0.516 1.029 -2.017) 2.322 2.794 ( -0.390 4.287 0.706) 4.362 2.862 ( -4.742 -0.684 1.915) 5.159 2.870 ( 1.400 -1.055 -1.086) 2.062 2.909 ( -1.198 2.911 1.531) 3.500 3.033 ( -0.515 -5.138 3.071) 6.007 3.076 ( 0.192 3.669 -2.628) 4.518 3.144 ( -2.367 -0.474 -0.515) 2.468 3.261 ( 2.846 -4.464 -1.677) 5.554 3.452 ( 1.625 2.654 -1.212) 3.340 3.497 ( 1.841 -0.383 -1.052) 2.154 3.659 ( -0.647 2.072 -0.634) 2.261 3.704 ( 0.366 -1.405 -2.946) 3.284 3.954 ( -1.571 0.818 3.506) 3.928 3.996 ( 0.194 2.539 2.656) 3.679 4.042 ( -1.818 0.193 0.090) 1.830 4.102 ( -0.475 -1.120 0.376) 1.274 4.173 ( 0.355 -0.498 1.197) 1.344 4.190 ( 1.497 0.288 0.256) 1.546 ======================= Grid point 162 (81/114) ======================= q-point: (-0.38 -0.62 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.597 ( 1.835 3.749 6.444) 7.678 0.619 ( 2.041 -2.240 -0.772) 3.127 0.687 ( -0.119 -2.536 -3.232) 4.110 0.739 ( 0.870 1.059 1.421) 1.974 0.865 ( 2.473 0.944 -0.301) 2.664 0.887 ( 0.476 3.001 2.092) 3.689 0.961 ( 1.878 -3.857 0.169) 4.293 1.017 ( -7.795 -0.501 1.120) 7.890 1.068 ( -0.904 3.218 1.399) 3.623 1.146 ( -0.723 2.005 2.136) 3.017 1.275 ( -0.059 1.891 -8.624) 8.829 1.315 ( 2.722 -0.066 -4.462) 5.227 1.562 ( -1.531 7.309 -0.666) 7.497 1.626 ( -2.251 2.205 -1.348) 3.427 1.750 ( 2.894 0.585 3.388) 4.493 1.793 ( -0.587 4.522 1.296) 4.740 1.804 ( 0.081 -4.017 2.858) 4.930 1.893 ( 0.217 0.898 -1.112) 1.446 1.971 ( -1.612 0.320 -3.062) 3.475 2.033 ( 2.144 -1.315 -2.804) 3.767 2.106 ( 0.761 -0.190 0.137) 0.796 2.165 ( 3.217 -0.269 1.318) 3.487 2.234 ( -1.246 -3.520 4.116) 5.558 2.335 ( -4.762 2.031 -0.860) 5.248 2.382 ( -0.884 1.430 -3.465) 3.851 2.416 ( 0.666 0.171 -1.428) 1.585 2.497 ( 1.653 3.712 -1.214) 4.241 2.519 ( 3.465 -3.559 0.082) 4.968 2.540 ( 0.261 -0.490 -1.374) 1.482 2.640 ( -0.440 0.744 -2.137) 2.305 2.709 ( -0.616 3.026 1.834) 3.592 2.824 ( -3.811 1.576 2.722) 4.942 2.883 ( 0.587 -0.781 0.427) 1.067 2.902 ( -0.436 -1.091 -0.051) 1.176 2.998 ( 1.256 4.249 -2.420) 5.049 3.116 ( -0.539 -2.450 -1.271) 2.812 3.197 ( -0.507 -6.569 3.622) 7.518 3.341 ( 2.490 -1.515 -0.319) 2.932 3.408 ( 0.084 2.069 1.066) 2.329 3.513 ( -0.372 -0.879 -1.696) 1.946 3.607 ( -0.507 2.436 2.465) 3.502 3.743 ( -0.308 -3.008 -3.675) 4.759 3.929 ( 0.646 2.635 1.604) 3.152 3.955 ( -1.242 1.670 3.732) 4.273 4.009 ( -1.052 2.244 -0.937) 2.650 4.090 ( -0.486 1.348 0.758) 1.621 4.184 ( 2.096 0.617 -0.491) 2.239 4.200 ( -0.131 -0.810 -3.225) 3.327 ======================= Grid point 163 (82/114) ======================= q-point: (-0.25 -0.62 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.585 ( 2.302 -0.731 2.884) 3.762 0.651 ( -1.278 2.257 0.947) 2.761 0.685 ( -1.938 -0.225 -0.418) 1.995 0.768 ( 2.493 -1.933 -2.832) 4.239 0.826 ( 3.058 2.179 -1.801) 4.165 0.892 ( 0.028 0.458 0.887) 0.999 0.963 ( -3.145 0.361 3.596) 4.790 0.991 ( 0.567 4.085 2.381) 4.762 1.071 ( -0.857 3.260 -2.067) 3.954 1.081 ( -0.135 -5.895 -5.286) 7.919 1.228 ( -0.570 3.129 -6.707) 7.423 1.312 ( 1.431 2.296 -7.522) 7.994 1.452 ( 1.285 2.512 0.887) 2.958 1.596 ( -1.091 -1.035 -2.154) 2.627 1.684 ( -1.085 4.923 -1.380) 5.226 1.778 ( 2.549 -0.412 1.217) 2.854 1.857 ( -4.160 -0.338 -1.496) 4.433 1.904 ( 2.026 1.399 -2.484) 3.498 1.927 ( 1.605 -0.777 2.679) 3.218 2.076 ( 0.933 -1.456 0.055) 1.730 2.151 ( -0.192 -2.813 -4.633) 5.424 2.190 ( 4.260 2.264 -1.654) 5.100 2.227 ( -0.700 1.986 1.630) 2.663 2.287 ( -3.944 -1.274 1.624) 4.451 2.339 ( -3.057 1.607 -0.639) 3.512 2.408 ( 0.791 2.059 0.017) 2.205 2.443 ( 0.951 1.241 1.732) 2.333 2.541 ( 1.442 0.532 2.141) 2.635 2.593 ( -1.786 -2.170 0.284) 2.824 2.658 ( 2.791 -2.833 -0.770) 4.051 2.702 ( -0.677 -1.175 1.115) 1.756 2.794 ( -2.727 -1.399 2.270) 3.814 2.884 ( -0.234 1.402 -2.186) 2.608 2.898 ( 2.666 1.597 -1.478) 3.441 2.981 ( 0.213 -1.531 3.525) 3.849 3.128 ( 0.873 0.955 1.802) 2.218 3.294 ( -0.691 -1.880 0.457) 2.055 3.341 ( 0.050 -0.524 -0.303) 0.608 3.410 ( -0.601 -0.880 2.146) 2.396 3.517 ( 0.143 -0.122 -2.217) 2.225 3.601 ( -1.200 -2.351 4.754) 5.438 3.774 ( -0.813 0.094 -0.896) 1.213 3.889 ( -0.656 1.269 1.249) 1.897 3.899 ( -0.399 3.654 0.439) 3.702 3.975 ( 0.731 0.646 0.329) 1.029 4.061 ( -0.273 1.667 -1.484) 2.249 4.181 ( 2.320 1.383 -2.850) 3.926 4.208 ( -0.402 -0.832 -4.211) 4.311 ======================= Grid point 164 (83/114) ======================= q-point: (-0.12 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.553 ( -1.715 4.064 1.705) 4.729 0.650 ( 1.106 -2.158 0.625) 2.504 0.673 ( 0.709 3.297 1.001) 3.518 0.748 ( -1.327 1.014 -2.135) 2.710 0.791 ( 0.357 2.199 1.064) 2.469 0.902 ( -3.582 0.447 4.707) 5.932 0.946 ( 2.918 -0.701 -1.526) 3.367 0.968 ( -0.411 0.253 -7.033) 7.050 1.062 ( 1.089 -3.905 1.097) 4.200 1.150 ( 1.170 2.842 -6.361) 7.065 1.217 ( 2.487 -6.769 -7.314) 10.271 1.272 ( -0.204 0.709 -7.758) 7.793 1.454 ( 0.916 0.186 0.099) 0.940 1.611 ( 1.752 2.582 -4.611) 5.568 1.638 ( -0.387 -2.537 1.608) 3.029 1.776 ( -2.764 2.013 -4.205) 5.420 1.808 ( -0.203 2.131 4.006) 4.542 1.878 ( 2.844 0.240 -0.211) 2.862 1.997 ( 1.150 -2.648 3.568) 4.590 2.074 ( -2.650 1.092 -1.050) 3.052 2.153 ( 0.086 1.406 -2.307) 2.703 2.166 ( 1.704 1.708 -1.441) 2.811 2.218 ( -0.694 -0.328 -3.230) 3.320 2.273 ( -2.715 -0.193 -0.702) 2.811 2.311 ( 0.024 0.294 0.353) 0.460 2.378 ( 1.603 0.854 2.375) 2.990 2.467 ( 0.238 -1.418 3.235) 3.540 2.536 ( 0.504 0.811 1.357) 1.659 2.615 ( -1.432 -1.797 1.364) 2.673 2.708 ( 0.137 -0.466 -0.585) 0.760 2.721 ( -0.505 -1.623 2.263) 2.830 2.812 ( -2.418 -1.701 0.771) 3.056 2.876 ( 0.390 -1.089 -1.337) 1.767 2.906 ( 1.862 -0.533 -0.365) 1.971 3.009 ( 1.009 -0.437 3.868) 4.021 3.121 ( 2.743 0.947 4.051) 4.983 3.269 ( -2.195 1.092 -1.496) 2.872 3.354 ( -0.284 0.534 -0.730) 0.948 3.409 ( -2.968 -0.388 -0.067) 2.994 3.530 ( 3.662 0.198 1.372) 3.916 3.654 ( -3.792 -3.895 1.532) 5.648 3.696 ( -0.970 6.550 2.973) 7.258 3.875 ( 1.266 -1.371 2.159) 2.853 3.887 ( -0.614 -0.869 -1.282) 1.666 3.997 ( 1.860 -1.198 -0.835) 2.365 4.022 ( -0.478 1.673 -2.068) 2.703 4.169 ( 0.733 0.912 -3.364) 3.562 4.225 ( 0.427 -1.448 -5.155) 5.371 ======================= Grid point 169 (84/114) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.584 ( 3.500 0.000 -1.311) 3.737 0.647 ( -0.819 -0.000 -1.970) 2.133 0.703 ( 1.284 0.000 5.957) 6.094 0.803 ( 2.712 0.000 4.956) 5.650 0.815 ( 1.365 0.000 3.605) 3.855 0.917 ( 3.292 0.000 4.954) 5.948 0.954 ( -9.168 -0.000 -4.036) 10.017 1.031 ( -0.041 -0.000 -3.226) 3.226 1.098 ( -1.255 -0.000 2.210) 2.541 1.174 ( -5.465 -0.000 2.377) 5.960 1.242 ( 1.077 0.000 2.392) 2.624 1.369 ( 3.816 0.000 -7.085) 8.047 1.633 ( -0.736 -0.000 -3.385) 3.464 1.683 ( 1.572 0.000 10.827) 10.941 1.732 ( -5.831 -0.000 6.437) 8.685 1.775 ( 3.246 0.000 1.926) 3.774 1.878 ( 1.379 0.000 -5.137) 5.319 1.946 ( -1.655 -0.000 1.619) 2.315 1.949 ( -1.868 -0.000 4.990) 5.328 2.023 ( 2.063 0.000 -0.179) 2.071 2.145 ( 5.024 0.000 2.606) 5.660 2.200 ( -8.026 -0.000 -0.738) 8.059 2.235 ( -0.698 -0.000 0.761) 1.033 2.305 ( 2.237 0.000 0.930) 2.423 2.318 ( 5.223 0.000 -6.342) 8.216 2.419 ( -2.636 -0.000 -7.451) 7.903 2.468 ( 2.435 0.000 0.185) 2.442 2.539 ( -1.531 -0.000 -2.272) 2.740 2.542 ( -1.151 -0.000 -5.073) 5.202 2.674 ( 0.253 0.000 -3.090) 3.101 2.827 ( -2.826 -0.000 2.327) 3.661 2.833 ( 0.892 0.000 2.143) 2.321 2.860 ( -0.705 -0.000 -1.589) 1.738 2.967 ( 2.525 0.000 1.150) 2.774 2.978 ( 0.892 0.000 4.554) 4.640 3.105 ( -3.439 -0.000 -2.108) 4.034 3.138 ( -1.804 -0.000 -7.141) 7.365 3.224 ( 5.679 0.000 1.218) 5.808 3.491 ( -0.185 -0.000 -2.133) 2.141 3.496 ( 1.405 0.000 -2.494) 2.862 3.672 ( -2.550 -0.000 -1.169) 2.806 3.692 ( 0.594 0.000 -2.036) 2.121 3.934 ( -2.571 -0.000 5.358) 5.943 4.024 ( -2.457 -0.000 2.230) 3.318 4.061 ( 2.084 0.000 1.142) 2.377 4.065 ( 0.288 0.000 -0.756) 0.809 4.180 ( 0.591 0.000 1.781) 1.876 4.204 ( 1.424 0.000 1.476) 2.051 ======================= Grid point 170 (85/114) ======================= q-point: (-0.38 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.608 ( 0.950 -0.177 -1.559) 1.834 0.649 ( -0.399 -1.390 -2.368) 2.775 0.682 ( 0.661 3.030 7.259) 7.893 0.781 ( 1.056 2.958 3.016) 4.355 0.858 ( 0.640 -1.720 1.977) 2.697 0.896 ( -4.400 -0.608 -1.035) 4.561 0.951 ( 0.502 -0.388 3.129) 3.193 1.000 ( 2.131 2.536 0.230) 3.321 1.088 ( -0.860 0.217 -0.858) 1.234 1.160 ( -0.437 -0.793 3.074) 3.205 1.282 ( 1.857 -1.576 -0.010) 2.435 1.362 ( 3.786 3.135 -6.895) 8.468 1.620 ( -3.984 0.225 -2.887) 4.925 1.651 ( -4.818 3.004 6.038) 8.288 1.722 ( -2.214 -2.530 7.694) 8.397 1.797 ( 3.643 0.795 1.546) 4.036 1.856 ( -2.744 4.134 3.206) 5.907 1.906 ( 0.043 -0.384 -1.653) 1.697 1.972 ( 1.773 -0.173 -1.555) 2.365 2.037 ( 1.517 0.430 -3.410) 3.757 2.097 ( -4.571 1.897 2.147) 5.395 2.198 ( 2.800 -0.479 3.733) 4.691 2.215 ( 3.320 1.993 -0.521) 3.907 2.290 ( -2.353 -2.012 -0.391) 3.120 2.388 ( -3.086 -0.529 -5.555) 6.376 2.421 ( 0.765 -0.896 -6.306) 6.416 2.488 ( 1.299 -1.565 -0.360) 2.065 2.526 ( 1.417 -0.488 -1.850) 2.381 2.549 ( 2.263 -0.071 -1.333) 2.627 2.658 ( -0.529 1.283 -1.796) 2.270 2.793 ( -0.574 4.276 0.014) 4.315 2.822 ( 0.050 -1.276 2.029) 2.398 2.883 ( 0.816 1.224 -0.914) 1.732 2.908 ( -0.220 3.492 3.045) 4.638 3.039 ( 0.288 -4.362 4.554) 6.312 3.067 ( -0.783 1.630 -2.246) 2.883 3.129 ( 1.460 -1.192 -5.121) 5.457 3.312 ( 3.700 -3.484 -0.169) 5.085 3.456 ( -0.916 2.931 -1.009) 3.232 3.502 ( -0.584 -0.119 -2.427) 2.499 3.631 ( -3.620 1.183 -0.452) 3.835 3.694 ( -0.630 -0.966 -1.849) 2.179 3.948 ( 0.253 -1.458 3.971) 4.238 3.984 ( -2.113 2.740 2.657) 4.363 4.033 ( 0.778 1.360 -0.476) 1.638 4.104 ( 0.165 -0.360 0.992) 1.068 4.180 ( 0.286 -0.100 0.310) 0.434 4.217 ( 2.111 0.268 0.268) 2.145 ======================= Grid point 171 (86/114) ======================= q-point: (-0.25 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( -1.530 -0.517 1.399) 2.137 0.632 ( -1.298 0.979 3.233) 3.619 0.677 ( -1.040 0.500 1.607) 1.978 0.754 ( 1.130 -0.265 -1.478) 1.879 0.872 ( -2.661 -0.263 -2.441) 3.621 0.899 ( 0.680 -1.646 0.341) 1.814 0.931 ( -1.207 0.816 2.036) 2.504 1.014 ( 3.568 0.833 0.645) 3.720 1.079 ( 2.822 1.378 0.444) 3.172 1.158 ( 1.833 3.487 2.026) 4.430 1.266 ( 0.410 2.754 -5.246) 5.940 1.353 ( 2.854 0.903 -4.150) 5.117 1.515 ( -4.407 5.272 -0.818) 6.920 1.594 ( -1.566 1.288 -2.163) 2.965 1.736 ( -5.146 -0.607 4.311) 6.741 1.793 ( -3.091 1.702 0.422) 3.554 1.803 ( 1.139 0.293 4.314) 4.471 1.881 ( 0.505 -1.048 1.800) 2.143 1.982 ( 2.671 2.001 -4.713) 5.775 2.065 ( -2.725 -2.940 0.041) 4.009 2.083 ( 3.726 -0.888 -2.923) 4.818 2.217 ( 0.849 -0.932 0.412) 1.327 2.250 ( 0.439 -1.080 3.437) 3.629 2.273 ( -1.089 1.805 -2.164) 3.021 2.355 ( -1.591 2.189 -3.437) 4.374 2.408 ( -0.851 -0.529 -1.022) 1.431 2.514 ( 0.399 0.635 -1.871) 2.016 2.549 ( 1.668 0.056 -2.350) 2.882 2.569 ( 2.433 0.377 1.422) 2.843 2.646 ( 1.138 -0.119 0.170) 1.157 2.709 ( 0.522 3.092 0.841) 3.246 2.803 ( 1.006 3.378 2.567) 4.360 2.877 ( -2.008 -1.605 1.705) 3.084 2.901 ( 0.469 -1.852 -0.945) 2.131 3.010 ( 1.831 3.492 -1.782) 4.327 3.142 ( 2.496 -2.636 2.197) 4.243 3.199 ( 0.715 -6.037 -0.428) 6.094 3.357 ( -0.338 1.477 -1.344) 2.026 3.390 ( -2.707 1.016 2.641) 3.917 3.496 ( -0.980 -0.812 -2.516) 2.819 3.598 ( -1.417 0.422 2.021) 2.504 3.722 ( -1.327 -3.047 -3.303) 4.685 3.914 ( -2.312 2.853 3.150) 4.838 3.964 ( 1.290 1.598 2.048) 2.901 4.010 ( 1.226 2.015 -0.232) 2.370 4.084 ( -0.579 1.568 0.701) 1.813 4.188 ( -0.507 -0.474 -2.862) 2.944 4.224 ( 2.867 0.991 -1.285) 3.294 ======================= Grid point 172 (87/114) ======================= q-point: (-0.12 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.605 ( -0.843 2.205 2.913) 3.750 0.624 ( -2.017 -0.354 1.495) 2.535 0.653 ( -1.328 -3.278 -0.806) 3.628 0.762 ( -3.202 1.340 -0.048) 3.471 0.858 ( 0.621 2.546 -1.202) 2.883 0.905 ( 1.497 0.163 -0.423) 1.564 0.935 ( 0.827 -1.251 0.854) 1.726 1.001 ( -0.685 0.222 2.462) 2.565 1.047 ( -0.222 5.538 -5.050) 7.498 1.136 ( 6.089 -1.975 -4.436) 7.788 1.216 ( 0.414 3.058 -4.752) 5.667 1.315 ( 0.155 3.502 -5.746) 6.731 1.452 ( -1.216 0.306 -2.323) 2.639 1.592 ( 0.503 -1.901 0.388) 2.004 1.678 ( 1.005 3.222 -2.263) 4.063 1.778 ( -5.996 -3.119 3.088) 7.431 1.807 ( 0.423 1.213 0.059) 1.286 1.931 ( 2.250 1.867 -2.475) 3.831 1.953 ( 1.355 -1.537 2.751) 3.431 2.072 ( -2.038 0.288 -0.283) 2.078 2.124 ( -1.159 -1.410 -0.449) 1.880 2.202 ( -0.581 0.673 -3.700) 3.805 2.229 ( -0.788 1.567 -0.505) 1.825 2.265 ( -0.398 1.226 -0.885) 1.563 2.314 ( -0.038 0.687 -0.586) 0.904 2.426 ( 1.055 -1.005 1.696) 2.236 2.480 ( 3.503 3.554 0.785) 5.051 2.563 ( -1.301 -1.992 0.252) 2.392 2.570 ( 1.747 1.393 3.031) 3.766 2.662 ( -1.052 -1.877 -0.499) 2.209 2.711 ( 0.457 -1.333 -0.181) 1.420 2.782 ( 0.990 0.601 2.018) 2.327 2.874 ( -0.934 -0.468 -0.655) 1.234 2.943 ( 3.807 1.012 -2.048) 4.440 2.991 ( 0.530 -0.937 3.988) 4.131 3.176 ( 3.897 1.151 3.834) 5.587 3.270 ( -2.384 0.575 -0.988) 2.644 3.316 ( -3.603 -2.348 -0.351) 4.315 3.376 ( -2.629 -0.761 0.144) 2.741 3.535 ( 1.790 -3.574 -1.149) 4.159 3.582 ( -1.755 0.405 4.074) 4.454 3.759 ( -0.311 -1.011 -1.274) 1.656 3.866 ( -1.921 0.693 1.171) 2.354 3.905 ( 0.368 4.381 1.572) 4.669 4.000 ( 1.865 0.405 0.784) 2.063 4.055 ( -0.133 1.584 -1.782) 2.388 4.178 ( -1.093 0.383 -4.815) 4.952 4.227 ( 2.577 0.836 -2.668) 3.802 ======================= Grid point 178 (88/114) ======================= q-point: (-0.38 -0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.615 ( -2.993 -0.000 -1.325) 3.273 0.621 ( 0.089 0.000 -0.554) 0.561 0.717 ( 0.098 0.000 7.219) 7.219 0.807 ( -6.734 -0.000 -1.794) 6.969 0.854 ( 2.248 0.000 3.818) 4.431 0.858 ( 2.082 0.000 1.286) 2.447 0.993 ( 4.259 0.000 5.300) 6.800 1.027 ( 0.035 0.000 -5.135) 5.135 1.084 ( -0.042 -0.000 -0.304) 0.307 1.147 ( 1.580 0.000 4.985) 5.230 1.283 ( 3.601 0.000 1.727) 3.994 1.425 ( 4.141 0.000 -6.110) 7.381 1.564 ( -8.206 -0.000 3.028) 8.747 1.622 ( -7.447 -0.000 6.735) 10.041 1.714 ( 0.285 0.000 9.852) 9.856 1.821 ( 0.050 0.000 -1.105) 1.106 1.866 ( -0.725 -0.000 2.886) 2.975 1.935 ( -1.598 -0.000 1.364) 2.101 1.960 ( 3.851 0.000 -3.166) 4.986 2.066 ( 3.552 0.000 -1.848) 4.004 2.103 ( -4.033 -0.000 -0.028) 4.033 2.193 ( -1.140 -0.000 4.050) 4.207 2.258 ( 4.728 0.000 -0.018) 4.728 2.272 ( -6.889 -0.000 -5.561) 8.854 2.354 ( -2.569 -0.000 -3.373) 4.240 2.381 ( 3.036 0.000 -8.040) 8.594 2.494 ( 1.679 0.000 -0.239) 1.696 2.534 ( 0.979 0.000 -3.103) 3.254 2.555 ( 3.657 0.000 0.971) 3.783 2.665 ( -0.251 -0.000 -2.310) 2.324 2.820 ( 0.353 0.000 -0.803) 0.877 2.844 ( 0.084 0.000 2.532) 2.534 2.855 ( 0.888 0.000 -0.258) 0.925 2.974 ( -3.610 -0.000 8.875) 9.581 3.029 ( 4.715 0.000 1.589) 4.976 3.074 ( 1.219 0.000 -4.953) 5.101 3.116 ( 0.881 0.000 -7.046) 7.101 3.313 ( 5.466 0.000 0.078) 5.466 3.470 ( -1.907 -0.000 -2.735) 3.334 3.494 ( -1.097 -0.000 -2.937) 3.135 3.595 ( -6.925 -0.000 -1.496) 7.084 3.686 ( -1.081 -0.000 -1.125) 1.560 3.939 ( 1.761 0.000 4.304) 4.651 3.993 ( -1.769 -0.000 2.473) 3.041 4.070 ( 0.385 0.000 0.397) 0.553 4.086 ( 0.801 0.000 1.261) 1.494 4.185 ( -0.230 -0.000 0.982) 1.009 4.237 ( 2.643 0.000 1.072) 2.853 ======================= Grid point 179 (89/114) ======================= q-point: (-0.25 -0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( -3.790 0.300 0.434) 3.827 0.619 ( -3.629 -0.319 3.505) 5.055 0.716 ( 1.541 1.199 5.054) 5.418 0.755 ( -3.407 0.805 -1.154) 3.686 0.855 ( 0.126 1.118 1.816) 2.136 0.871 ( 0.051 -0.224 -0.260) 0.347 0.971 ( 0.579 2.349 -0.935) 2.594 1.060 ( 3.616 -0.667 -1.440) 3.949 1.106 ( 4.069 -0.502 1.634) 4.413 1.184 ( 2.842 -1.416 5.049) 5.964 1.325 ( 2.904 0.256 -1.485) 3.272 1.410 ( 3.463 3.577 -3.822) 6.276 1.525 ( -10.707 -1.756 11.461) 15.782 1.543 ( -4.616 1.719 -1.720) 5.217 1.722 ( -0.839 1.184 6.411) 6.574 1.810 ( -3.203 -0.139 1.439) 3.514 1.828 ( -0.520 4.854 0.256) 4.889 1.893 ( -1.770 0.473 2.961) 3.482 2.010 ( 2.394 -0.986 -2.804) 3.816 2.038 ( 1.284 1.786 -1.966) 2.950 2.104 ( 2.802 -0.138 -2.171) 3.547 2.180 ( -3.286 -1.063 -1.132) 3.635 2.245 ( -3.821 -1.900 -1.672) 4.583 2.267 ( 2.243 0.923 0.055) 2.426 2.355 ( 0.258 -0.822 -3.378) 3.486 2.404 ( -0.619 -0.113 -4.663) 4.705 2.508 ( 1.984 -0.567 -0.636) 2.159 2.555 ( 1.742 -0.443 -2.278) 2.902 2.596 ( 3.301 -0.610 -0.327) 3.372 2.661 ( 1.372 0.159 0.168) 1.392 2.781 ( -0.696 3.627 -1.320) 3.922 2.836 ( 0.426 -0.584 2.098) 2.219 2.877 ( -2.094 -0.284 1.003) 2.339 2.932 ( 3.405 6.105 3.066) 7.633 3.049 ( 0.197 -4.633 5.277) 7.025 3.080 ( 3.476 1.807 -2.574) 4.688 3.160 ( 3.392 -2.506 -5.614) 7.022 3.361 ( 2.150 -0.596 -0.036) 2.231 3.423 ( -2.970 3.346 -0.807) 4.547 3.474 ( -2.573 0.089 -2.776) 3.786 3.556 ( -4.828 -2.190 -2.348) 5.798 3.676 ( -1.490 -0.686 -1.305) 2.096 3.952 ( -1.349 2.441 3.895) 4.791 3.980 ( 2.042 -0.757 2.031) 2.978 4.049 ( 1.012 1.387 0.457) 1.777 4.103 ( -0.667 0.335 1.574) 1.742 4.178 ( -0.528 0.078 -0.292) 0.609 4.258 ( 3.190 0.338 -0.394) 3.232 ======================= Grid point 180 (90/114) ======================= q-point: (-0.12 -0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.575 ( -2.313 -3.030 1.332) 4.038 0.592 ( -3.823 -0.144 4.500) 5.906 0.665 ( -0.766 4.000 4.655) 6.185 0.748 ( -2.087 -0.434 0.617) 2.219 0.852 ( 1.028 -1.136 -1.486) 2.134 0.876 ( -2.619 -1.588 -1.359) 3.351 0.944 ( 1.397 1.385 -1.610) 2.542 1.068 ( 3.297 2.815 -0.285) 4.344 1.133 ( 2.225 2.742 -1.009) 3.673 1.208 ( 3.968 2.630 0.843) 4.834 1.273 ( 1.590 4.221 -2.895) 5.359 1.374 ( -0.500 3.497 -1.732) 3.934 1.454 ( -1.307 0.913 -0.934) 1.848 1.559 ( -3.451 -3.766 1.672) 5.375 1.658 ( -4.936 0.354 5.260) 7.222 1.737 ( -3.207 3.186 -0.128) 4.522 1.810 ( -1.208 -0.894 3.602) 3.903 1.906 ( 2.268 -1.709 2.095) 3.529 2.013 ( 0.978 0.988 -2.150) 2.560 2.056 ( 0.648 -1.071 -0.825) 1.499 2.107 ( -0.012 1.088 -1.161) 1.591 2.195 ( -1.724 -1.460 -3.344) 4.036 2.236 ( -1.464 0.308 -2.182) 2.645 2.280 ( 1.184 0.405 -1.211) 1.742 2.335 ( -0.231 1.610 -3.528) 3.885 2.399 ( -0.718 -0.643 0.707) 1.196 2.535 ( 1.693 -0.866 -0.191) 1.911 2.557 ( 1.165 0.615 -1.758) 2.197 2.619 ( 3.338 1.127 -0.045) 3.524 2.660 ( 0.949 1.857 2.181) 3.017 2.713 ( -0.369 2.183 0.327) 2.238 2.838 ( -2.441 -1.432 2.276) 3.632 2.856 ( 4.196 5.077 0.556) 6.610 2.915 ( 0.968 -3.527 1.688) 4.028 3.062 ( 5.240 3.475 -1.279) 6.416 3.160 ( -0.968 -6.034 4.447) 7.557 3.227 ( 3.010 -1.668 -3.857) 5.169 3.321 ( -3.544 4.394 -0.163) 5.647 3.349 ( -3.055 0.372 1.124) 3.276 3.475 ( -1.343 -2.803 -1.476) 3.440 3.575 ( -1.712 -1.295 0.626) 2.236 3.702 ( -0.071 -3.434 -4.310) 5.511 3.889 ( -1.474 3.011 3.723) 5.010 3.989 ( 1.353 2.701 1.973) 3.608 4.030 ( 0.688 1.660 1.871) 2.594 4.076 ( -0.232 1.277 -0.149) 1.307 4.171 ( -1.105 0.167 -3.044) 3.243 4.267 ( 2.886 1.258 -2.352) 3.930 ======================= Grid point 187 (91/114) ======================= q-point: (-0.25 -0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.555 ( -4.627 -0.000 3.099) 5.569 0.581 ( -4.620 -0.000 5.000) 6.808 0.735 ( -1.761 -0.000 -2.126) 2.761 0.739 ( 0.746 0.000 5.613) 5.663 0.878 ( 0.495 0.000 0.886) 1.015 0.883 ( 0.557 0.000 -2.379) 2.443 1.014 ( -0.669 -0.000 1.182) 1.358 1.035 ( 2.145 0.000 -2.719) 3.463 1.146 ( 5.205 0.000 2.771) 5.897 1.213 ( 5.879 0.000 5.192) 7.844 1.311 ( -2.967 -0.000 3.532) 4.613 1.409 ( -8.694 -0.000 9.826) 13.120 1.487 ( 3.617 0.000 -2.936) 4.659 1.585 ( 1.373 0.000 4.934) 5.121 1.716 ( -2.399 -0.000 8.451) 8.785 1.789 ( -1.708 -0.000 0.692) 1.843 1.855 ( -3.789 -0.000 6.637) 7.643 1.889 ( -4.362 -0.000 -3.513) 5.601 2.007 ( 0.370 0.000 -4.948) 4.962 2.073 ( -0.002 -0.000 -3.298) 3.298 2.098 ( 0.742 0.000 -3.061) 3.149 2.175 ( -1.044 -0.000 3.428) 3.583 2.179 ( -0.021 -0.000 -4.970) 4.970 2.308 ( -2.710 -0.000 -2.519) 3.700 2.333 ( 3.663 0.000 -1.036) 3.806 2.380 ( 0.332 0.000 -6.503) 6.511 2.530 ( 1.408 0.000 -0.522) 1.502 2.549 ( 1.174 0.000 -3.169) 3.379 2.618 ( 3.934 0.000 0.519) 3.968 2.673 ( 1.962 0.000 -1.087) 2.243 2.811 ( -0.700 -0.000 -4.050) 4.110 2.845 ( -0.409 -0.000 2.284) 2.320 2.895 ( 3.767 0.000 1.811) 4.180 2.921 ( -4.105 -0.000 9.053) 9.940 3.104 ( 4.330 0.000 1.789) 4.685 3.110 ( 3.363 0.000 -2.753) 4.346 3.154 ( 5.415 0.000 -3.826) 6.630 3.384 ( 3.495 0.000 -0.688) 3.563 3.428 ( -2.945 -0.000 -2.833) 4.087 3.451 ( -3.773 -0.000 -3.272) 4.994 3.474 ( -7.565 -0.000 -2.713) 8.037 3.657 ( -2.052 -0.000 -2.263) 3.055 3.983 ( -0.002 -0.000 2.690) 2.690 3.985 ( 3.073 0.000 2.639) 4.051 4.074 ( -0.372 -0.000 1.990) 2.024 4.088 ( -0.838 -0.000 1.685) 1.881 4.177 ( -0.835 -0.000 0.756) 1.126 4.287 ( 3.616 0.000 -0.457) 3.645 ======================= Grid point 188 (92/114) ======================= q-point: (-0.12 -0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.519 ( -3.622 -0.660 4.749) 6.009 0.567 ( -3.635 -0.663 6.891) 7.820 0.721 ( 0.433 1.407 0.065) 1.473 0.735 ( -1.066 0.805 5.469) 5.630 0.858 ( -1.090 1.379 -1.991) 2.656 0.870 ( 1.426 1.458 -0.809) 2.195 0.968 ( -0.441 1.537 -2.250) 2.760 1.104 ( 2.680 -2.267 -3.547) 4.991 1.167 ( 2.156 0.961 4.911) 5.449 1.263 ( 4.656 0.532 4.387) 6.419 1.320 ( -3.039 -1.581 -1.988) 3.961 1.386 ( -6.788 -4.229 12.955) 15.225 1.470 ( 2.622 7.112 3.734) 8.450 1.526 ( 3.422 3.056 -0.734) 4.647 1.693 ( -4.406 3.752 3.559) 6.794 1.764 ( -3.639 1.184 1.684) 4.181 1.803 ( -1.745 2.636 -0.691) 3.236 1.878 ( -0.800 -3.980 5.438) 6.786 1.986 ( -3.983 -0.204 -1.896) 4.416 2.062 ( 2.329 0.716 -5.598) 6.106 2.126 ( -2.711 -2.778 -3.059) 4.942 2.154 ( 0.688 1.905 0.821) 2.185 2.229 ( 4.328 -2.378 -3.383) 5.986 2.275 ( -0.465 0.460 -1.580) 1.710 2.343 ( -0.811 0.090 -5.628) 5.687 2.413 ( 1.959 0.027 -0.807) 2.119 2.521 ( -0.899 -0.185 -1.103) 1.434 2.571 ( 1.077 -0.637 -2.414) 2.719 2.639 ( 1.508 0.159 -0.563) 1.617 2.696 ( 2.875 -0.227 0.657) 2.958 2.768 ( -0.605 3.173 -1.878) 3.737 2.832 ( -0.705 2.861 4.306) 5.218 2.864 ( 0.084 -1.944 1.419) 2.408 2.988 ( 2.470 1.199 4.517) 5.287 3.079 ( 2.797 -0.008 2.576) 3.802 3.153 ( 5.566 0.947 -0.611) 5.679 3.213 ( 5.082 -2.038 -4.535) 7.109 3.344 ( -4.965 2.731 1.753) 5.932 3.374 ( -2.505 3.226 -3.117) 5.138 3.417 ( -3.944 -1.077 -2.070) 4.583 3.503 ( -1.731 -4.767 -3.127) 5.958 3.651 ( -0.630 -1.567 -4.180) 4.508 3.948 ( 0.063 3.532 3.949) 5.298 4.017 ( 1.616 -0.125 2.829) 3.260 4.062 ( 0.527 0.686 1.244) 1.515 4.089 ( -1.317 0.177 1.576) 2.062 4.165 ( -0.855 0.417 -0.316) 1.002 4.307 ( 3.028 0.784 -2.411) 3.949 ======================= Grid point 196 (93/114) ======================= q-point: (-0.12 -0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.505 ( -2.106 -0.000 7.747) 8.028 0.524 ( -3.732 -0.000 8.552) 9.330 0.742 ( -1.931 -0.000 6.515) 6.796 0.745 ( 3.405 0.000 -1.942) 3.920 0.878 ( -0.093 -0.000 -2.496) 2.498 0.884 ( 0.797 0.000 -2.312) 2.445 1.004 ( -0.669 -0.000 -1.128) 1.311 1.057 ( -0.242 -0.000 -0.388) 0.457 1.214 ( 3.330 0.000 5.744) 6.639 1.239 ( -5.492 -0.000 17.064) 17.926 1.312 ( -4.434 -0.000 0.926) 4.530 1.329 ( 7.338 0.000 2.381) 7.715 1.585 ( 8.041 0.000 0.050) 8.041 1.632 ( 2.229 0.000 6.209) 6.597 1.670 ( -5.108 -0.000 6.087) 7.946 1.745 ( -5.536 -0.000 2.864) 6.233 1.796 ( -6.161 -0.000 -7.030) 9.348 1.811 ( -1.378 -0.000 7.524) 7.649 1.963 ( -2.687 -0.000 -1.881) 3.280 2.083 ( 2.211 0.000 -8.147) 8.442 2.083 ( -1.088 -0.000 -4.643) 4.769 2.177 ( -0.107 -0.000 2.355) 2.357 2.199 ( -2.091 -0.000 1.490) 2.567 2.320 ( 7.197 0.000 -5.176) 8.865 2.326 ( -1.396 -0.000 -6.761) 6.903 2.419 ( 3.277 0.000 -0.875) 3.392 2.515 ( -2.788 -0.000 -0.863) 2.918 2.555 ( 0.422 0.000 -3.501) 3.526 2.648 ( -0.950 -0.000 0.027) 0.950 2.718 ( 3.503 0.000 0.132) 3.506 2.791 ( -0.775 -0.000 -5.395) 5.450 2.841 ( -0.859 -0.000 1.464) 1.697 2.902 ( 0.155 0.000 9.505) 9.506 2.968 ( 4.974 0.000 2.321) 5.488 3.159 ( 2.257 0.000 1.721) 2.838 3.159 ( 3.069 0.000 0.595) 3.127 3.249 ( 5.331 0.000 0.896) 5.406 3.366 ( -2.673 -0.000 -2.506) 3.664 3.371 ( -5.627 -0.000 -3.287) 6.517 3.393 ( -1.691 -0.000 -7.323) 7.515 3.402 ( -1.611 -0.000 0.148) 1.618 3.630 ( 0.022 0.000 -6.365) 6.365 4.000 ( 1.325 0.000 3.099) 3.370 4.035 ( 2.687 0.000 1.696) 3.177 4.064 ( -1.379 -0.000 3.324) 3.599 4.069 ( -1.817 -0.000 2.294) 2.926 4.166 ( -0.709 -0.000 1.047) 1.265 4.333 ( 2.044 0.000 -3.173) 3.774 ======================= Grid point 197 (94/114) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 57 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( 3.006 0.000 -2.441) 3.872 0.660 ( -3.006 -0.000 2.441) 3.872 0.735 ( -3.651 -0.000 -0.845) 3.748 0.735 ( 3.651 0.000 0.845) 3.748 0.893 ( 1.834 0.000 -2.823) 3.366 0.893 ( -1.834 -0.000 2.823) 3.366 0.962 ( 0.552 0.000 -2.871) 2.924 0.962 ( -0.552 -0.000 2.871) 2.924 1.335 ( -1.694 -0.000 -3.699) 4.068 1.335 ( 1.694 0.000 3.699) 4.068 1.480 ( -6.243 -0.000 -9.244) 11.155 1.480 ( 6.243 0.000 9.244) 11.155 1.578 ( -1.880 -0.000 -7.288) 7.527 1.578 ( 1.880 0.000 7.288) 7.527 1.742 ( -5.868 -0.000 -2.822) 6.511 1.742 ( 5.868 0.000 2.822) 6.511 1.837 ( 1.167 0.000 -10.015) 10.083 1.837 ( -1.167 -0.000 10.015) 10.083 1.929 ( 0.320 0.000 -5.967) 5.976 1.929 ( -0.320 -0.000 5.967) 5.976 2.052 ( -4.183 -0.000 -6.894) 8.063 2.052 ( 4.183 0.000 6.894) 8.063 2.227 ( 2.232 0.000 -3.769) 4.380 2.227 ( -2.232 -0.000 3.769) 4.380 2.415 ( -6.646 -0.000 0.120) 6.648 2.415 ( 6.646 0.000 -0.120) 6.648 2.497 ( 0.887 0.000 -2.061) 2.244 2.497 ( -0.887 -0.000 2.061) 2.244 2.656 ( 1.718 0.000 -4.690) 4.995 2.656 ( -1.718 -0.000 4.690) 4.995 2.797 ( -2.355 -0.000 -1.859) 3.000 2.797 ( 2.355 0.000 1.859) 3.000 3.090 ( 0.803 0.000 -3.199) 3.298 3.090 ( -0.803 -0.000 3.199) 3.298 3.175 ( 3.103 0.000 -4.205) 5.226 3.175 ( -3.103 -0.000 4.205) 5.226 3.246 ( 0.153 0.000 -0.798) 0.813 3.246 ( -0.153 -0.000 0.798) 0.813 3.350 ( -4.137 -0.000 0.357) 4.153 3.350 ( 4.137 0.000 -0.357) 4.153 3.443 ( -2.651 -0.000 -7.594) 8.043 3.443 ( 2.651 0.000 7.594) 8.043 4.063 ( -1.679 -0.000 -0.001) 1.679 4.063 ( 1.679 0.000 0.001) 1.679 4.093 ( -2.162 -0.000 0.675) 2.265 4.093 ( 2.162 0.000 -0.675) 2.265 4.230 ( -1.296 -0.000 -4.370) 4.558 4.230 ( 1.296 0.000 4.370) 4.558 ======================= Grid point 199 (95/114) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.617 ( -3.224 1.690 0.073) 3.641 0.660 ( 1.523 1.206 -2.487) 3.156 0.719 ( -2.086 -0.141 3.246) 3.861 0.759 ( 3.140 0.498 -1.015) 3.338 0.869 ( -2.608 0.972 1.132) 3.005 0.905 ( 2.567 0.170 -4.299) 5.010 0.945 ( -0.641 1.152 -4.325) 4.522 0.962 ( 0.291 0.485 7.725) 7.746 1.271 ( -0.908 4.725 -4.486) 6.578 1.305 ( 2.133 5.109 3.437) 6.516 1.408 ( -6.298 2.673 -5.274) 8.639 1.491 ( -0.442 3.155 4.854) 5.806 1.568 ( -0.544 2.152 1.305) 2.575 1.625 ( 4.376 -0.634 4.797) 6.524 1.646 ( 0.020 3.215 -3.957) 5.098 1.683 ( 3.499 3.547 -4.720) 6.863 1.848 ( -3.319 -1.746 9.524) 10.236 1.893 ( 2.439 -1.443 -6.070) 6.699 1.960 ( -0.128 -2.492 -4.342) 5.008 1.989 ( 2.597 -2.869 3.607) 5.290 2.024 ( -2.222 -1.847 -6.790) 7.379 2.083 ( 3.426 0.246 7.630) 8.367 2.209 ( -2.606 0.953 1.938) 3.384 2.248 ( 2.573 -0.369 -1.608) 3.057 2.357 ( -6.871 0.091 -0.919) 6.933 2.434 ( 2.546 2.589 -0.741) 3.706 2.508 ( -0.646 -1.852 1.249) 2.325 2.521 ( 0.990 -2.227 -0.722) 2.542 2.646 ( -1.074 0.389 4.069) 4.226 2.659 ( 1.403 0.643 -3.328) 3.668 2.796 ( -0.805 -1.210 -1.636) 2.188 2.823 ( 2.047 -0.976 1.746) 2.862 2.996 ( -5.530 4.238 -2.665) 7.459 3.065 ( 1.865 3.938 1.742) 4.692 3.149 ( -3.407 0.738 0.171) 3.490 3.198 ( -1.331 -0.668 -0.542) 1.585 3.208 ( -1.397 3.442 -0.522) 3.751 3.274 ( 4.150 0.279 1.129) 4.310 3.342 ( -4.108 -3.593 0.738) 5.507 3.389 ( 0.174 -3.432 4.792) 5.897 3.457 ( 1.239 -2.331 -7.652) 8.094 3.511 ( 6.295 -2.475 1.392) 6.906 4.029 ( -1.856 2.385 -0.943) 3.166 4.060 ( 1.665 1.755 0.691) 2.515 4.067 ( -2.760 0.889 2.191) 3.634 4.106 ( 2.403 0.343 -2.035) 3.168 4.202 ( -1.801 1.389 -3.898) 4.513 4.229 ( 0.645 1.293 4.595) 4.817 ======================= Grid point 200 (96/114) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.581 ( -1.913 -0.667 0.629) 2.121 0.639 ( -0.998 1.649 -0.933) 2.141 0.696 ( 0.492 1.749 2.112) 2.786 0.774 ( 3.290 0.816 0.776) 3.478 0.829 ( -1.899 1.621 1.572) 2.950 0.907 ( 1.618 1.015 -8.470) 8.683 0.914 ( -0.440 0.929 -1.661) 1.953 0.967 ( 1.391 0.224 6.574) 6.723 1.174 ( -1.441 5.657 -1.169) 5.954 1.211 ( 1.492 5.651 1.444) 6.021 1.280 ( -3.544 5.957 0.394) 6.943 1.416 ( -2.610 3.181 -1.454) 4.364 1.445 ( -0.735 7.707 -2.092) 8.020 1.614 ( 4.983 4.315 0.243) 6.596 1.678 ( -0.005 -2.827 0.456) 2.864 1.725 ( 3.127 -3.275 -3.672) 5.830 1.869 ( -2.962 -0.943 9.421) 9.921 1.897 ( -0.042 0.015 -4.343) 4.343 1.984 ( 0.333 -0.475 -1.477) 1.587 2.044 ( 2.262 -1.322 -0.146) 2.624 2.084 ( 0.986 -4.061 -1.894) 4.588 2.108 ( 0.970 -0.080 3.982) 4.099 2.150 ( -2.152 2.129 -0.600) 3.086 2.261 ( 2.863 1.770 0.405) 3.390 2.321 ( -3.041 -0.303 -0.130) 3.059 2.401 ( 0.548 0.552 -0.334) 0.846 2.534 ( -0.533 -0.882 0.848) 1.335 2.557 ( -0.678 -0.419 0.338) 0.866 2.643 ( -0.023 -0.649 2.187) 2.282 2.657 ( 0.460 0.072 -2.177) 2.226 2.799 ( -1.829 -0.143 -1.994) 2.709 2.864 ( 0.958 -1.284 2.524) 2.989 2.894 ( -4.350 2.248 -1.733) 5.194 2.982 ( -1.960 4.664 -0.423) 5.077 3.115 ( -0.955 1.558 0.159) 1.834 3.154 ( 1.225 0.662 1.382) 1.962 3.209 ( -2.416 -2.028 -0.161) 3.158 3.278 ( 2.498 0.996 -1.190) 2.941 3.369 ( -1.361 -1.155 -0.521) 1.859 3.493 ( 2.168 -5.645 3.450) 6.962 3.521 ( 0.284 -4.442 -2.653) 5.182 3.601 ( 2.988 -3.112 -0.758) 4.380 3.957 ( -0.818 3.944 -1.685) 4.366 4.024 ( -2.432 1.725 3.487) 4.588 4.028 ( 1.530 3.374 0.426) 3.729 4.102 ( 2.135 2.140 -1.232) 3.264 4.151 ( -2.134 2.054 -4.358) 5.269 4.209 ( 0.311 1.516 3.760) 4.066 ======================= Grid point 201 (97/114) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.588 ( -0.670 2.472 2.285) 3.432 0.624 ( -0.364 -4.253 0.746) 4.333 0.681 ( -0.050 0.281 -0.485) 0.563 0.750 ( 3.829 4.378 -0.880) 5.883 0.790 ( -1.241 1.787 1.797) 2.822 0.899 ( -3.212 -0.987 1.455) 3.662 0.924 ( 4.651 -0.553 -3.724) 5.984 0.977 ( -0.507 -0.176 1.070) 1.196 1.065 ( -0.331 3.544 0.930) 3.679 1.131 ( -0.647 5.428 -3.266) 6.368 1.192 ( 0.717 1.949 2.710) 3.414 1.310 ( 2.282 7.117 -0.510) 7.491 1.346 ( -4.821 1.272 -3.547) 6.119 1.599 ( 4.443 1.128 0.097) 4.584 1.695 ( -3.091 0.139 1.406) 3.399 1.770 ( -1.468 1.689 -0.140) 2.242 1.832 ( 1.487 0.419 0.776) 1.729 1.916 ( 0.822 -0.549 -1.113) 1.488 1.998 ( 0.678 -1.178 2.378) 2.739 2.030 ( -4.314 0.080 -0.745) 4.379 2.108 ( 0.599 -0.482 2.230) 2.359 2.139 ( 1.020 0.188 -0.727) 1.266 2.182 ( 1.344 -3.563 -2.888) 4.779 2.240 ( 4.017 2.482 0.112) 4.724 2.316 ( -0.568 -0.551 -0.010) 0.791 2.426 ( 0.949 -1.738 1.576) 2.531 2.525 ( 0.088 0.938 -0.145) 0.953 2.548 ( -0.925 0.003 1.225) 1.534 2.640 ( -2.179 0.868 0.707) 2.449 2.665 ( -0.227 -1.174 -1.419) 1.856 2.786 ( -4.017 2.246 1.909) 4.983 2.806 ( -1.031 -0.208 -5.540) 5.639 2.892 ( -1.230 0.926 -1.086) 1.884 2.915 ( -0.329 0.820 4.231) 4.322 3.089 ( -0.594 0.196 -0.906) 1.101 3.192 ( 4.335 -0.182 1.243) 4.513 3.220 ( -0.678 -1.446 1.310) 2.065 3.294 ( 0.002 -1.301 -2.056) 2.433 3.367 ( -1.086 -0.059 -0.906) 1.415 3.581 ( 4.851 -0.992 -1.254) 5.108 3.606 ( -3.044 -4.788 -0.125) 5.675 3.671 ( -0.312 -4.644 2.940) 5.505 3.891 ( 0.724 3.104 -1.785) 3.653 3.957 ( -0.893 3.920 -0.947) 4.131 3.995 ( 0.731 1.373 2.323) 2.796 4.064 ( 0.331 2.922 1.880) 3.491 4.101 ( -0.828 1.508 -4.426) 4.749 4.190 ( 0.170 1.042 1.843) 2.123 ======================= Grid point 202 (98/114) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.559 ( -0.000 0.000 0.000) 0.000 0.678 ( 0.000 -0.000 -0.000) 0.000 0.686 ( -0.000 -0.000 0.000) 0.000 0.723 ( -0.000 0.000 0.000) 0.000 0.750 ( 0.000 0.000 -0.000) 0.000 0.895 ( 0.000 0.000 -0.000) 0.000 0.957 ( -0.000 0.000 0.000) 0.000 1.001 ( -0.000 0.000 -0.000) 0.000 1.023 ( -0.000 -0.000 0.000) 0.000 1.050 ( -0.000 0.000 0.000) 0.000 1.188 ( -0.000 0.000 0.000) 0.000 1.260 ( -0.000 0.000 -0.000) 0.000 1.305 ( 0.000 0.000 0.000) 0.000 1.625 ( 0.000 -0.000 0.000) 0.000 1.651 ( -0.000 0.000 0.000) 0.000 1.730 ( -0.000 0.000 0.000) 0.000 1.851 ( -0.000 0.000 0.000) 0.000 1.919 ( -0.000 0.000 0.000) 0.000 2.014 ( -0.000 0.000 0.000) 0.000 2.025 ( 0.000 0.000 0.000) 0.000 2.121 ( -0.000 0.000 0.000) 0.000 2.133 ( 0.000 0.000 0.000) 0.000 2.191 ( -0.000 0.000 0.000) 0.000 2.257 ( 0.000 0.000 0.000) 0.000 2.322 ( -0.000 0.000 0.000) 0.000 2.450 ( -0.000 0.000 0.000) 0.000 2.528 ( -0.000 -0.000 0.000) 0.000 2.542 ( 0.000 0.000 0.000) 0.000 2.611 ( 0.000 0.000 0.000) 0.000 2.692 ( 0.000 -0.000 0.000) 0.000 2.710 ( -0.000 0.000 0.000) 0.000 2.827 ( 0.000 0.000 0.000) 0.000 2.867 ( -0.000 0.000 0.000) 0.000 2.910 ( -0.000 -0.000 -0.000) 0.000 3.089 ( -0.000 0.000 0.000) 0.000 3.197 ( -0.000 0.000 0.000) 0.000 3.256 ( 0.000 0.000 0.000) 0.000 3.297 ( -0.000 0.000 0.000) 0.000 3.364 ( -0.000 0.000 0.000) 0.000 3.608 ( -0.000 0.000 0.000) 0.000 3.626 ( 0.000 0.000 0.000) 0.000 3.745 ( -0.000 0.000 0.000) 0.000 3.847 ( -0.000 -0.000 0.000) 0.000 3.915 ( -0.000 0.000 0.000) 0.000 3.989 ( -0.000 0.000 0.000) 0.000 4.033 ( -0.000 0.000 0.000) 0.000 4.083 ( -0.000 0.000 0.000) 0.000 4.181 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 208 (99/114) ======================= q-point: ( 0.12 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.614 ( -2.732 -0.000 0.403) 2.762 0.685 ( 1.000 0.000 -5.401) 5.493 0.689 ( -1.807 -0.000 0.945) 2.039 0.790 ( 2.216 0.000 4.374) 4.903 0.859 ( -2.519 -0.000 0.313) 2.538 0.905 ( 1.190 0.000 -7.440) 7.535 0.959 ( -0.981 -0.000 6.090) 6.168 0.978 ( 2.228 0.000 1.258) 2.558 1.317 ( 0.046 0.000 -3.478) 3.478 1.346 ( -2.884 -0.000 -2.257) 3.662 1.372 ( -4.691 -0.000 -5.908) 7.544 1.488 ( -7.783 -0.000 3.513) 8.539 1.604 ( 5.999 0.000 5.001) 7.810 1.653 ( 6.528 0.000 9.617) 11.623 1.714 ( 4.027 0.000 -9.632) 10.440 1.788 ( -4.550 -0.000 -5.363) 7.033 1.827 ( 2.320 0.000 -0.036) 2.320 1.831 ( 0.739 0.000 8.421) 8.454 1.955 ( 2.678 0.000 -3.958) 4.779 1.977 ( 3.531 0.000 2.895) 4.566 1.980 ( -2.986 -0.000 -6.007) 6.708 2.129 ( 4.411 0.000 6.350) 7.732 2.206 ( -0.677 -0.000 3.486) 3.551 2.253 ( 1.244 0.000 -1.180) 1.715 2.293 ( -7.260 -0.000 -3.744) 8.168 2.469 ( 0.644 0.000 -4.058) 4.108 2.489 ( -0.729 -0.000 2.878) 2.969 2.509 ( 0.960 0.000 -0.721) 1.200 2.639 ( -1.941 -0.000 5.055) 5.415 2.674 ( 0.451 0.000 -2.297) 2.341 2.771 ( -0.367 -0.000 -1.738) 1.777 2.837 ( 2.060 0.000 1.357) 2.467 3.037 ( -4.476 -0.000 -1.697) 4.787 3.045 ( -2.641 -0.000 -4.395) 5.128 3.138 ( -3.850 -0.000 2.493) 4.587 3.187 ( -1.802 -0.000 -1.512) 2.352 3.213 ( -9.184 -0.000 4.026) 10.028 3.282 ( 2.426 0.000 4.134) 4.793 3.304 ( 4.329 0.000 0.141) 4.331 3.368 ( 1.184 0.000 3.005) 3.230 3.458 ( 4.220 0.000 -9.171) 10.096 3.549 ( 7.425 0.000 0.636) 7.452 4.034 ( -1.713 -0.000 -0.077) 1.715 4.054 ( -2.078 -0.000 -0.212) 2.089 4.090 ( 1.011 0.000 0.356) 1.072 4.118 ( 0.886 0.000 -0.864) 1.238 4.199 ( -1.601 -0.000 -2.485) 2.956 4.247 ( -0.174 -0.000 4.541) 4.544 ======================= Grid point 209 (100/114) ======================= q-point: ( 0.25 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.579 ( -1.652 1.448 0.208) 2.206 0.655 ( -0.307 1.313 -0.563) 1.461 0.708 ( -0.524 -0.713 -0.026) 0.885 0.801 ( 1.594 0.496 1.988) 2.596 0.841 ( -0.626 0.117 0.974) 1.164 0.901 ( -1.105 0.857 -6.641) 6.787 0.963 ( 1.829 -0.255 1.810) 2.586 0.982 ( 2.095 1.568 3.381) 4.276 1.253 ( -1.362 4.320 -4.053) 6.078 1.305 ( -4.498 0.965 -2.828) 5.400 1.326 ( -1.862 3.920 0.280) 4.348 1.399 ( -7.870 2.663 3.862) 9.162 1.612 ( 1.720 6.131 -1.197) 6.479 1.658 ( 2.466 2.243 -3.710) 4.987 1.718 ( 5.195 -0.435 -0.143) 5.215 1.735 ( 5.491 2.867 0.912) 6.262 1.844 ( -1.225 -0.190 8.295) 8.387 1.881 ( 0.002 -1.229 -2.343) 2.646 1.954 ( -0.031 -1.562 -4.882) 5.125 2.013 ( 0.913 -2.499 -0.861) 2.796 2.037 ( 2.419 -3.918 1.666) 4.897 2.142 ( 1.347 2.457 5.585) 6.249 2.181 ( -0.380 2.052 -1.376) 2.499 2.262 ( -1.020 -1.679 0.717) 2.091 2.290 ( 0.997 -1.957 -2.019) 2.983 2.445 ( -0.508 2.983 -1.838) 3.540 2.502 ( -0.577 -1.827 1.133) 2.226 2.522 ( -0.599 -1.705 -0.010) 1.807 2.629 ( -2.545 -0.285 3.221) 4.115 2.663 ( -0.718 0.306 -1.461) 1.656 2.791 ( 0.424 -1.090 -2.288) 2.570 2.845 ( -0.166 -0.206 2.205) 2.221 2.925 ( -2.160 4.409 -2.832) 5.668 3.042 ( -4.187 4.115 0.067) 5.871 3.108 ( -4.806 -0.328 2.571) 5.460 3.137 ( -1.089 -2.771 -2.497) 3.886 3.172 ( -4.092 1.159 -1.599) 4.543 3.306 ( -0.440 -0.616 3.963) 4.034 3.357 ( 3.841 -1.409 1.862) 4.495 3.405 ( 2.165 -2.602 3.750) 5.052 3.494 ( 4.479 -1.212 -8.505) 9.688 3.608 ( 5.346 -0.629 0.131) 5.384 4.007 ( -0.598 2.031 -1.035) 2.357 4.026 ( -2.517 1.179 1.214) 3.033 4.084 ( 0.694 1.361 0.767) 1.709 4.126 ( 0.086 -0.436 -2.349) 2.390 4.172 ( -0.854 1.858 -1.363) 2.457 4.235 ( -0.723 1.138 3.996) 4.218 ======================= Grid point 210 (101/114) ======================= q-point: ( 0.38 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.569 ( 0.185 -1.464 0.951) 1.755 0.631 ( 0.613 1.672 2.060) 2.723 0.702 ( -0.448 0.899 -0.074) 1.007 0.798 ( 0.144 0.633 3.961) 4.013 0.848 ( -1.486 2.716 -4.380) 5.363 0.855 ( 1.756 0.092 0.111) 1.762 0.966 ( 3.638 1.387 -1.167) 4.065 0.982 ( -0.556 0.177 0.323) 0.667 1.160 ( 0.595 5.351 -2.389) 5.890 1.219 ( -1.479 5.133 2.431) 5.869 1.237 ( -3.029 2.900 -0.315) 4.206 1.301 ( -6.996 2.147 1.555) 7.481 1.493 ( 3.685 8.170 -4.618) 10.083 1.647 ( -1.170 0.373 -3.813) 4.006 1.707 ( 4.240 3.808 1.336) 5.853 1.765 ( 2.719 -1.092 -1.747) 3.411 1.843 ( -2.310 -0.029 8.606) 8.910 1.896 ( 0.355 -1.125 -2.947) 3.174 1.971 ( -1.896 -0.131 -1.786) 2.608 2.038 ( -1.248 0.762 1.646) 2.202 2.114 ( -0.856 -1.228 3.237) 3.566 2.134 ( 4.321 -3.133 0.758) 5.391 2.159 ( 3.135 1.396 -1.874) 3.911 2.287 ( 1.517 -0.671 -0.353) 1.696 2.323 ( 2.410 0.433 -0.899) 2.608 2.404 ( -0.158 -0.064 0.140) 0.220 2.519 ( -2.170 -1.108 1.265) 2.745 2.534 ( -1.555 -0.063 -0.646) 1.685 2.614 ( -4.144 -0.765 1.866) 4.608 2.660 ( 0.163 -0.167 -1.089) 1.113 2.785 ( 0.572 1.289 -0.787) 1.615 2.819 ( -2.981 1.867 -0.947) 3.643 2.895 ( 0.846 -0.738 0.138) 1.131 2.919 ( -4.908 3.743 -0.869) 6.234 3.070 ( -4.336 -0.106 0.483) 4.364 3.161 ( -3.204 -2.399 -0.498) 4.033 3.206 ( 4.448 -3.007 -0.149) 5.371 3.309 ( 1.214 0.635 1.041) 1.721 3.377 ( 1.689 1.069 0.522) 2.066 3.495 ( -0.326 -5.259 2.554) 5.856 3.563 ( 3.748 -3.664 -4.829) 7.127 3.644 ( 2.582 0.039 1.082) 2.800 3.957 ( 1.017 3.382 -1.930) 4.025 3.982 ( -2.631 1.557 1.903) 3.601 4.052 ( 0.416 2.747 1.209) 3.030 4.113 ( -1.695 1.837 -3.982) 4.701 4.128 ( 1.245 2.234 0.359) 2.583 4.209 ( -0.890 1.210 2.634) 3.033 ======================= Grid point 211 (102/114) ======================= q-point: ( 0.50 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.600 ( 1.372 3.171 3.575) 4.972 0.631 ( 1.296 -4.206 0.434) 4.422 0.672 ( -0.858 1.354 -1.146) 1.971 0.780 ( -0.044 2.010 2.146) 2.941 0.807 ( 0.265 0.778 -2.114) 2.268 0.840 ( -0.676 2.069 3.119) 3.803 0.948 ( -2.256 -0.820 2.411) 3.402 1.010 ( 5.779 -0.069 -4.108) 7.091 1.087 ( 2.301 3.931 -3.703) 5.870 1.120 ( -0.775 5.889 0.258) 5.945 1.190 ( -3.095 -0.378 -1.928) 3.666 1.215 ( -5.792 1.832 0.641) 6.109 1.390 ( 4.471 5.326 1.493) 7.113 1.633 ( -4.577 0.023 -1.119) 4.712 1.671 ( 4.760 2.689 -2.097) 5.855 1.755 ( -0.428 3.174 1.573) 3.568 1.837 ( -1.436 -0.943 4.453) 4.773 1.897 ( -2.249 0.380 -4.255) 4.828 1.977 ( -1.491 -3.347 1.144) 3.838 2.034 ( 2.155 -0.440 1.371) 2.592 2.114 ( -0.492 -0.187 3.740) 3.777 2.157 ( 0.314 1.305 -1.367) 1.915 2.207 ( 2.970 0.038 -1.245) 3.220 2.292 ( 2.445 2.191 -0.877) 3.398 2.329 ( 2.099 0.020 -0.708) 2.215 2.429 ( -1.315 -1.718 0.411) 2.202 2.503 ( -1.924 -0.056 -1.452) 2.411 2.551 ( 1.586 -2.100 1.476) 3.017 2.593 ( -3.329 -0.310 1.337) 3.601 2.665 ( -0.261 -1.136 -0.893) 1.469 2.741 ( -1.302 2.855 -1.110) 3.328 2.808 ( 1.385 -1.971 -3.066) 3.900 2.852 ( -3.160 0.868 1.218) 3.496 2.905 ( -1.516 -0.261 1.725) 2.312 3.067 ( -1.593 -1.583 -0.052) 2.247 3.172 ( -3.507 -1.511 -0.233) 3.826 3.295 ( 2.787 -1.261 0.266) 3.071 3.298 ( 3.870 1.339 -0.236) 4.102 3.371 ( 1.339 0.517 1.362) 1.979 3.559 ( -3.006 -2.798 -1.894) 4.522 3.648 ( 4.169 -0.820 -2.729) 5.050 3.682 ( 0.825 -4.717 4.685) 6.699 3.899 ( 0.299 3.861 -1.127) 4.033 3.936 ( -1.045 1.900 -0.582) 2.245 4.003 ( -0.425 2.354 1.246) 2.697 4.057 ( -0.478 2.440 -2.943) 3.852 4.102 ( 0.736 1.598 1.791) 2.511 4.185 ( -1.020 0.798 0.355) 1.343 ======================= Grid point 212 (103/114) ======================= q-point: (-0.38 0.12 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.572 ( 1.751 0.452 0.416) 1.855 0.654 ( -2.583 -0.934 1.188) 2.992 0.710 ( 2.601 0.093 -1.646) 3.080 0.737 ( 0.717 4.134 1.456) 4.441 0.755 ( 1.021 0.886 -2.052) 2.457 0.836 ( -5.065 -3.036 3.270) 6.750 0.992 ( 2.632 2.349 -4.142) 5.441 1.019 ( 1.181 3.543 -2.504) 4.497 1.020 ( 0.045 -2.795 6.921) 7.464 1.072 ( 2.697 -0.611 -1.022) 2.948 1.170 ( -2.845 -0.460 -3.932) 4.875 1.170 ( -5.512 -2.257 -0.633) 5.990 1.393 ( 6.073 0.569 5.335) 8.103 1.572 ( -4.394 1.390 -1.636) 4.891 1.691 ( 3.173 -1.513 -2.098) 4.094 1.741 ( 1.401 -1.773 -1.180) 2.550 1.831 ( -2.918 0.634 3.872) 4.889 1.867 ( -4.482 -0.725 -1.769) 4.873 2.034 ( 2.493 -1.554 1.877) 3.486 2.063 ( 3.146 0.481 -0.643) 3.247 2.112 ( -0.978 0.961 0.902) 1.642 2.145 ( -0.996 -1.466 1.690) 2.449 2.180 ( 1.127 2.466 -2.365) 3.598 2.253 ( -0.994 3.681 1.025) 3.948 2.337 ( 1.953 0.729 -0.236) 2.098 2.422 ( -2.634 -0.428 -1.677) 3.152 2.511 ( -0.612 -0.659 -1.304) 1.584 2.545 ( -1.065 0.676 0.360) 1.312 2.637 ( 2.410 -1.828 -0.353) 3.045 2.683 ( -0.869 0.286 1.037) 1.383 2.745 ( 3.664 -3.964 0.303) 5.406 2.830 ( -0.302 0.173 1.169) 1.220 2.857 ( 0.017 -2.870 -2.268) 3.658 2.899 ( -1.416 -0.380 0.884) 1.712 3.077 ( -0.900 -0.519 -0.059) 1.041 3.156 ( -4.515 -0.006 -0.165) 4.518 3.265 ( 2.471 2.412 -1.723) 3.860 3.327 ( -0.016 1.146 1.377) 1.792 3.392 ( 4.475 0.069 2.183) 4.979 3.552 ( -4.310 -0.210 -0.784) 4.385 3.683 ( 4.227 0.535 -0.664) 4.312 3.747 ( 0.092 1.363 -0.678) 1.525 3.853 ( 0.605 -0.451 1.102) 1.335 3.901 ( -1.770 -0.086 0.463) 1.832 3.982 ( -0.133 -0.094 -0.026) 0.165 4.025 ( -1.259 -0.114 -3.199) 3.440 4.098 ( 1.764 -0.119 3.939) 4.318 4.170 ( -1.279 -0.282 -1.561) 2.038 ======================= Grid point 213 (104/114) ======================= q-point: (-0.25 0.12 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.610 ( 1.981 -1.612 -0.332) 2.575 0.629 ( -0.028 2.143 -1.236) 2.474 0.679 ( 0.272 1.088 -1.285) 1.706 0.701 ( -2.763 -2.501 2.001) 4.230 0.817 ( 2.448 -2.691 -2.778) 4.577 0.854 ( -3.506 -2.614 4.331) 6.155 0.943 ( 1.188 2.612 0.450) 2.904 0.962 ( -1.277 2.012 -1.261) 2.696 1.103 ( 4.181 -3.317 -4.279) 6.840 1.147 ( -1.059 -1.584 4.083) 4.506 1.179 ( 1.107 -6.778 0.569) 6.891 1.237 ( -4.934 -8.448 -0.828) 9.818 1.448 ( 5.704 -1.451 3.465) 6.830 1.530 ( -4.495 -1.023 -2.400) 5.197 1.732 ( 2.645 1.676 -2.858) 4.239 1.772 ( -2.720 3.432 3.560) 5.644 1.823 ( 2.064 -5.495 -0.845) 5.930 1.872 ( -3.797 -3.631 -0.512) 5.279 2.022 ( 3.424 3.790 -2.029) 5.496 2.065 ( -1.514 2.600 0.469) 3.045 2.116 ( 2.669 -1.426 2.178) 3.728 2.146 ( 1.090 1.106 1.381) 2.079 2.156 ( -2.207 4.347 0.057) 4.875 2.184 ( -2.785 -2.705 -1.200) 4.064 2.349 ( 3.323 0.217 0.116) 3.332 2.398 ( -2.526 0.684 -0.993) 2.799 2.525 ( 0.562 -1.446 -0.288) 1.578 2.544 ( -1.294 -1.183 -0.452) 1.811 2.655 ( 0.858 0.700 0.003) 1.107 2.669 ( -0.551 0.981 -0.066) 1.127 2.835 ( 2.867 0.781 1.707) 3.427 2.860 ( 2.196 -3.300 -0.083) 3.965 2.888 ( 0.118 -0.218 0.417) 0.485 2.912 ( -0.581 -3.743 -1.095) 3.943 3.086 ( -0.013 -1.338 -0.445) 1.410 3.118 ( -3.935 -0.446 -0.698) 4.022 3.250 ( 2.319 1.512 -0.190) 2.774 3.282 ( -1.768 2.360 0.944) 3.096 3.419 ( 4.973 1.280 1.613) 5.383 3.503 ( -5.325 1.466 -0.515) 5.547 3.650 ( 2.497 6.084 -1.449) 6.734 3.672 ( -0.484 5.227 0.330) 5.260 3.897 ( 1.482 -3.519 1.197) 4.001 3.936 ( -2.937 -4.071 -0.034) 5.020 4.007 ( 2.166 -2.191 -1.780) 3.558 4.040 ( -2.128 -2.701 -0.068) 3.439 4.136 ( 2.240 -1.677 4.157) 5.011 4.173 ( -1.550 -1.372 -3.087) 3.716 ======================= Grid point 214 (105/114) ======================= q-point: (-0.12 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( 1.383 -0.574 -1.430) 2.070 0.621 ( -1.383 -0.574 1.430) 2.070 0.719 ( 3.132 -1.917 -2.327) 4.347 0.719 ( -3.132 -1.917 2.327) 4.347 0.868 ( 2.377 -1.244 -3.238) 4.205 0.868 ( -2.377 -1.244 3.238) 4.205 0.941 ( -0.574 -0.639 -6.955) 7.007 0.941 ( 0.574 -0.639 6.955) 7.007 1.190 ( 0.382 -4.865 -4.835) 6.870 1.190 ( -0.382 -4.865 4.835) 6.870 1.353 ( -0.706 -8.195 -4.675) 9.461 1.353 ( 0.706 -8.195 4.675) 9.461 1.536 ( -3.777 -3.437 -1.696) 5.382 1.536 ( 3.777 -3.437 1.696) 5.382 1.687 ( 1.983 3.793 -2.383) 4.899 1.687 ( -1.983 3.793 2.383) 4.899 1.897 ( 1.927 0.022 -8.099) 8.325 1.897 ( -1.927 0.022 8.099) 8.325 1.996 ( -1.225 1.286 -2.089) 2.742 1.996 ( 1.225 1.286 2.089) 2.742 2.088 ( 0.045 2.903 -6.399) 7.027 2.088 ( -0.045 2.903 6.399) 7.027 2.205 ( -1.652 -2.360 -2.832) 4.040 2.205 ( 1.652 -2.360 2.832) 4.040 2.378 ( -0.908 -0.992 -2.006) 2.415 2.378 ( 0.908 -0.992 2.006) 2.415 2.547 ( -0.254 0.677 -1.205) 1.405 2.547 ( 0.254 0.677 1.205) 1.405 2.645 ( 0.582 0.370 -2.314) 2.415 2.645 ( -0.582 0.370 2.314) 2.415 2.832 ( -1.604 1.678 -2.223) 3.214 2.832 ( 1.604 1.678 2.223) 3.214 2.969 ( -0.954 -3.720 -3.543) 5.225 2.969 ( 0.954 -3.720 3.543) 5.225 3.130 ( 0.342 -2.825 -4.883) 5.652 3.130 ( -0.342 -2.825 4.883) 5.652 3.244 ( 0.453 0.595 -0.672) 1.006 3.244 ( -0.453 0.595 0.672) 1.006 3.424 ( -3.270 2.568 -1.110) 4.303 3.424 ( 3.270 2.568 1.110) 4.303 3.554 ( 1.640 6.031 -7.632) 9.865 3.554 ( -1.640 6.031 7.632) 9.865 3.986 ( -1.471 -4.025 -3.039) 5.253 3.986 ( 1.471 -4.025 3.039) 5.253 4.067 ( 2.178 -1.961 -2.590) 3.911 4.067 ( -2.178 -1.961 2.590) 3.911 4.187 ( -1.468 -1.883 -4.494) 5.089 4.187 ( 1.468 -1.883 4.494) 5.089 ======================= Grid point 218 (106/114) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.583 ( -1.517 -0.000 1.013) 1.824 0.675 ( -1.316 -0.000 -3.875) 4.092 0.694 ( 2.188 0.000 2.105) 3.036 0.812 ( 0.807 0.000 2.250) 2.390 0.831 ( -0.957 -0.000 1.723) 1.971 0.910 ( 0.541 0.000 -5.017) 5.047 0.951 ( -1.062 -0.000 4.710) 4.829 1.040 ( 5.243 0.000 -0.663) 5.285 1.243 ( -7.048 -0.000 -6.306) 9.458 1.304 ( -2.540 -0.000 2.134) 3.317 1.313 ( -3.808 -0.000 -4.230) 5.691 1.373 ( -6.353 -0.000 2.464) 6.814 1.665 ( -0.934 -0.000 -3.493) 3.616 1.747 ( 3.388 0.000 -1.392) 3.662 1.765 ( 0.341 0.000 11.653) 11.658 1.785 ( -1.814 -0.000 0.662) 1.931 1.798 ( 7.013 0.000 -4.219) 8.184 1.915 ( 7.442 0.000 -2.102) 7.733 1.947 ( 1.933 0.000 1.405) 2.390 1.995 ( -2.145 -0.000 5.287) 5.706 2.008 ( 3.070 0.000 -4.008) 5.049 2.185 ( -4.533 -0.000 -3.369) 5.648 2.207 ( 4.768 0.000 1.271) 4.935 2.234 ( 3.039 0.000 2.854) 4.169 2.279 ( 1.179 0.000 -0.549) 1.301 2.433 ( -3.936 -0.000 -5.918) 7.108 2.485 ( -0.537 -0.000 3.181) 3.226 2.516 ( -0.456 -0.000 -0.260) 0.524 2.611 ( -2.411 -0.000 3.754) 4.461 2.641 ( -3.548 -0.000 -1.460) 3.837 2.780 ( 1.644 0.000 -0.868) 1.859 2.859 ( 0.865 0.000 0.528) 1.013 2.971 ( -3.229 -0.000 -3.515) 4.773 3.029 ( -1.300 -0.000 -0.619) 1.440 3.065 ( -5.268 -0.000 -0.405) 5.284 3.097 ( -3.778 -0.000 2.853) 4.734 3.135 ( -4.081 -0.000 -1.549) 4.365 3.287 ( -2.239 -0.000 5.713) 6.136 3.381 ( 4.585 0.000 0.810) 4.656 3.420 ( 3.799 0.000 0.709) 3.865 3.523 ( 5.776 0.000 -6.147) 8.435 3.641 ( 4.217 0.000 -0.305) 4.228 4.018 ( -0.117 -0.000 -0.373) 0.391 4.026 ( -1.287 -0.000 -1.485) 1.965 4.099 ( -0.012 -0.000 0.572) 0.572 4.105 ( -2.384 -0.000 -0.373) 2.413 4.187 ( 0.348 0.000 -0.362) 0.502 4.241 ( -1.259 -0.000 3.452) 3.674 ======================= Grid point 219 (107/114) ======================= q-point: ( 0.38 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.568 ( 0.025 0.472 1.294) 1.378 0.655 ( -0.843 0.398 -1.659) 1.903 0.707 ( 1.350 0.779 3.742) 4.054 0.809 ( -0.156 0.752 2.379) 2.500 0.857 ( 1.989 -1.143 -1.890) 2.972 0.889 ( 0.682 1.368 -2.095) 2.593 0.961 ( -1.348 -0.985 2.942) 3.383 1.045 ( 4.557 3.194 -2.877) 6.265 1.183 ( -6.239 0.312 -5.868) 8.571 1.250 ( -3.037 2.606 2.719) 4.838 1.273 ( -4.232 1.705 -0.119) 4.564 1.310 ( -4.750 2.335 2.305) 5.773 1.617 ( 1.222 3.428 -5.091) 6.258 1.688 ( 0.689 3.808 -0.130) 3.872 1.784 ( 0.170 1.410 -1.065) 1.775 1.805 ( 5.131 1.670 -0.276) 5.403 1.821 ( 1.262 -0.043 7.650) 7.753 1.931 ( 1.491 3.831 2.452) 4.787 1.957 ( 1.187 -1.513 -6.436) 6.717 2.015 ( -1.016 -1.371 3.895) 4.252 2.067 ( 1.606 -2.726 -2.742) 4.187 2.136 ( 2.657 0.458 1.156) 2.934 2.224 ( 2.931 1.849 1.435) 3.751 2.281 ( 2.012 -1.373 0.322) 2.457 2.309 ( 1.266 -2.451 -1.461) 3.121 2.408 ( -3.822 -0.444 -2.992) 4.874 2.490 ( -1.273 -0.925 0.989) 1.859 2.511 ( -0.950 -0.335 0.529) 1.138 2.576 ( -3.543 0.581 2.716) 4.502 2.640 ( -1.997 -1.300 -0.391) 2.414 2.802 ( 1.632 -0.634 -2.401) 2.972 2.840 ( -0.561 2.391 2.276) 3.349 2.905 ( -0.971 2.392 -1.850) 3.176 2.978 ( -2.647 4.679 -2.568) 5.958 3.021 ( -5.868 -0.889 2.978) 6.640 3.102 ( -3.848 -0.924 -0.528) 3.993 3.161 ( 2.787 -4.678 -3.461) 6.452 3.287 ( -2.740 -1.962 5.948) 6.836 3.413 ( 3.045 0.330 0.892) 3.190 3.452 ( 2.483 -1.022 0.431) 2.720 3.560 ( 5.355 -0.087 -4.478) 6.981 3.667 ( 2.275 -0.005 0.001) 2.275 3.994 ( -1.175 1.471 0.475) 1.942 4.014 ( 1.077 1.973 -1.263) 2.579 4.075 ( -1.917 0.394 -0.983) 2.190 4.108 ( -1.203 -0.403 0.036) 1.269 4.175 ( 0.840 1.746 -0.075) 1.939 4.223 ( -1.370 1.015 2.687) 3.183 ======================= Grid point 220 (108/114) ======================= q-point: ( 0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.588 ( 1.953 -1.981 1.072) 2.981 0.650 ( -0.015 -0.206 0.959) 0.981 0.696 ( 0.598 1.953 3.403) 3.968 0.781 ( -2.968 1.691 -1.589) 3.768 0.828 ( 1.847 2.574 0.983) 3.317 0.913 ( 1.463 0.665 -2.358) 2.853 0.945 ( -0.290 1.752 3.388) 3.826 1.037 ( 4.877 0.089 -4.689) 6.766 1.124 ( -6.422 0.512 -3.454) 7.310 1.168 ( -3.616 2.318 1.002) 4.411 1.211 ( 0.430 4.410 -1.016) 4.545 1.244 ( -2.326 2.619 5.098) 6.186 1.538 ( 3.062 7.171 -2.698) 8.251 1.615 ( -1.948 2.948 -2.681) 4.435 1.774 ( 4.465 2.370 -0.993) 5.152 1.811 ( 3.355 1.773 1.109) 3.953 1.829 ( -0.808 1.279 6.590) 6.761 1.889 ( -0.826 -0.878 -0.247) 1.231 1.924 ( -3.088 1.893 -3.422) 4.982 2.022 ( -3.875 -1.550 0.883) 4.266 2.099 ( 1.624 -0.909 -0.521) 1.933 2.184 ( -0.036 1.519 2.660) 3.063 2.232 ( 6.195 -1.219 0.217) 6.318 2.316 ( 1.742 -0.742 -1.937) 2.709 2.357 ( 1.874 -0.675 -2.151) 2.932 2.393 ( -1.259 -0.809 0.307) 1.528 2.487 ( -0.887 -0.847 0.254) 1.253 2.513 ( -1.290 -0.961 0.024) 1.609 2.560 ( -2.576 -0.703 3.221) 4.183 2.635 ( -3.403 -0.801 -1.003) 3.637 2.787 ( -0.459 2.818 2.295) 3.663 2.809 ( 1.348 0.940 -3.988) 4.313 2.858 ( -1.561 2.033 -0.093) 2.565 2.906 ( -0.293 1.684 -1.073) 2.019 3.015 ( -1.979 -2.417 1.618) 3.518 3.099 ( -4.382 -2.443 -0.880) 5.093 3.271 ( 3.489 -4.325 -2.127) 5.950 3.316 ( -0.690 -1.711 3.481) 3.940 3.414 ( 2.800 1.735 1.440) 3.595 3.490 ( -0.877 -2.217 -1.615) 2.880 3.616 ( 3.758 -2.656 -0.884) 4.686 3.675 ( 0.955 0.121 0.273) 1.001 3.955 ( -0.847 2.261 1.590) 2.891 3.972 ( 0.549 2.948 -1.907) 3.554 4.047 ( -0.425 1.958 -0.218) 2.015 4.088 ( -1.419 1.621 -1.359) 2.547 4.146 ( 1.283 2.181 0.530) 2.585 4.193 ( -1.490 1.199 1.315) 2.321 ======================= Grid point 221 (109/114) ======================= q-point: ( 0.62 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.632 ( 1.599 3.302 3.108) 4.808 0.654 ( -0.869 1.902 -1.369) 2.499 0.666 ( 3.128 -3.426 0.314) 4.650 0.731 ( -4.725 -1.327 -0.442) 4.927 0.820 ( 2.253 1.624 3.581) 4.531 0.858 ( -0.994 4.246 -3.219) 5.420 0.957 ( 3.975 -1.415 4.286) 6.015 1.051 ( -5.117 1.153 -4.498) 6.910 1.083 ( 1.940 1.010 -1.545) 2.678 1.115 ( -1.725 2.369 -3.066) 4.241 1.129 ( 2.660 4.268 -1.147) 5.158 1.174 ( -3.165 2.409 3.808) 5.507 1.469 ( 5.235 2.848 3.102) 6.719 1.554 ( -5.060 1.010 -2.704) 5.825 1.731 ( 3.346 3.839 -3.994) 6.472 1.758 ( -0.503 3.955 3.003) 4.992 1.820 ( -0.506 0.232 3.964) 4.003 1.849 ( -2.675 1.032 -3.047) 4.184 1.989 ( 2.355 -5.067 3.050) 6.365 2.039 ( -2.306 -3.475 -2.130) 4.683 2.114 ( 1.240 0.310 1.563) 2.020 2.145 ( -1.756 1.633 -0.287) 2.416 2.259 ( 3.504 2.650 0.120) 4.395 2.301 ( -1.315 2.365 -0.655) 2.784 2.366 ( 2.464 0.599 -1.193) 2.802 2.395 ( -1.985 0.139 0.488) 2.049 2.498 ( 1.555 -0.775 -3.010) 3.475 2.538 ( -3.835 -0.422 2.630) 4.669 2.596 ( 3.189 -4.535 0.644) 5.582 2.641 ( -2.532 -2.909 0.482) 3.887 2.750 ( 2.423 1.310 -2.436) 3.678 2.792 ( -3.088 -0.376 1.564) 3.482 2.848 ( 2.320 -0.150 -2.146) 3.164 2.881 ( -2.069 0.058 1.769) 2.723 3.059 ( 1.121 -1.919 1.134) 2.495 3.107 ( -4.228 -1.820 -1.331) 4.791 3.319 ( 1.668 1.104 -0.910) 2.197 3.334 ( -0.201 -0.203 0.929) 0.972 3.430 ( 5.021 -0.306 2.471) 5.605 3.503 ( -3.876 -1.410 -2.233) 4.690 3.694 ( 2.389 -2.080 -4.061) 5.151 3.702 ( 0.323 -3.650 4.748) 5.998 3.900 ( 0.455 3.454 0.173) 3.488 3.918 ( -1.425 2.684 -0.686) 3.115 4.006 ( 1.167 2.390 0.132) 2.663 4.035 ( -1.945 2.361 -1.201) 3.286 4.128 ( 2.049 1.279 1.853) 3.044 4.162 ( -1.897 0.854 -0.861) 2.252 ======================= Grid point 222 (110/114) ======================= q-point: (-0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.611 ( -2.609 0.167 0.209) 2.623 0.611 ( 2.609 0.167 -0.209) 2.623 0.739 ( 0.938 2.554 -4.019) 4.854 0.739 ( -0.938 2.554 4.019) 4.854 0.779 ( 1.918 -0.748 -3.442) 4.011 0.779 ( -1.918 -0.748 3.442) 4.011 1.013 ( 1.102 3.153 -4.406) 5.529 1.013 ( -1.102 3.153 4.406) 5.529 1.067 ( -2.651 -4.235 -2.453) 5.566 1.067 ( 2.651 -4.235 2.453) 5.566 1.131 ( 1.047 0.218 -3.879) 4.024 1.131 ( -1.047 0.218 3.879) 4.024 1.491 ( -4.384 0.928 -5.811) 7.338 1.491 ( 4.384 0.928 5.811) 7.338 1.737 ( 0.736 -2.611 -3.548) 4.466 1.737 ( -0.736 -2.611 3.548) 4.466 1.813 ( -1.428 0.975 -1.365) 2.203 1.813 ( 1.428 0.975 1.365) 2.203 2.083 ( -1.958 -2.090 -2.763) 3.979 2.083 ( 1.958 -2.090 2.763) 3.979 2.107 ( -0.889 0.673 -2.101) 2.378 2.107 ( 0.889 0.673 2.101) 2.378 2.222 ( -0.178 4.112 -3.138) 5.176 2.222 ( 0.178 4.112 3.138) 5.176 2.377 ( -1.416 -0.049 -2.269) 2.675 2.377 ( 1.416 -0.049 2.269) 2.675 2.518 ( 0.646 -0.186 -1.529) 1.671 2.518 ( -0.646 -0.186 1.529) 1.671 2.667 ( 1.041 -0.818 -1.209) 1.793 2.667 ( -1.041 -0.818 1.209) 1.793 2.803 ( -1.124 -3.994 -2.140) 4.668 2.803 ( 1.124 -3.994 2.140) 4.668 2.874 ( 0.420 -0.761 -2.382) 2.535 2.874 ( -0.420 -0.761 2.382) 2.535 3.090 ( -0.583 0.102 -4.064) 4.107 3.090 ( 0.583 0.102 4.064) 4.107 3.305 ( 0.381 1.965 -2.109) 2.908 3.305 ( -0.381 1.965 2.109) 2.908 3.477 ( -4.165 0.205 -2.923) 5.092 3.477 ( 4.165 0.205 2.923) 5.092 3.734 ( -1.601 0.964 -0.236) 1.884 3.734 ( 1.601 0.964 0.236) 1.884 3.871 ( -1.537 -0.127 -0.826) 1.749 3.871 ( 1.537 -0.127 0.826) 1.749 3.995 ( -1.119 -0.142 -1.416) 1.810 3.995 ( 1.119 -0.142 1.416) 1.810 4.138 ( -2.092 -0.332 -3.069) 3.729 4.138 ( 2.092 -0.332 3.069) 3.729 ======================= Grid point 228 (111/114) ======================= q-point: ( 0.38 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.573 ( 0.104 0.000 2.023) 2.026 0.636 ( -2.748 -0.000 -2.015) 3.407 0.756 ( 4.835 0.000 4.007) 6.279 0.836 ( 1.727 0.000 -0.644) 1.844 0.839 ( 1.270 0.000 2.629) 2.920 0.901 ( -0.920 -0.000 -3.633) 3.748 0.950 ( 0.486 0.000 2.258) 2.310 1.088 ( -4.311 -0.000 -0.674) 4.363 1.145 ( 1.089 0.000 -8.147) 8.219 1.249 ( -4.609 -0.000 7.839) 9.093 1.251 ( -2.568 -0.000 -4.423) 5.114 1.297 ( -4.870 -0.000 0.649) 4.913 1.644 ( 0.934 0.000 -5.909) 5.982 1.692 ( -4.040 -0.000 6.008) 7.240 1.818 ( 3.973 0.000 -1.272) 4.171 1.839 ( 1.321 0.000 3.088) 3.359 1.894 ( 5.185 0.000 1.029) 5.286 1.948 ( 2.274 0.000 -4.518) 5.058 1.960 ( -2.253 -0.000 5.919) 6.333 2.005 ( -1.481 -0.000 -4.502) 4.739 2.093 ( 8.435 0.000 0.221) 8.438 2.158 ( 2.558 0.000 2.056) 3.282 2.255 ( -0.421 -0.000 0.497) 0.652 2.279 ( 2.312 0.000 -1.850) 2.962 2.292 ( 0.299 0.000 2.257) 2.277 2.337 ( -6.087 -0.000 -4.761) 7.727 2.481 ( -0.603 -0.000 2.321) 2.398 2.493 ( -1.677 -0.000 -1.038) 1.972 2.585 ( -1.550 -0.000 3.986) 4.277 2.599 ( -1.386 -0.000 -2.955) 3.264 2.812 ( 2.490 0.000 -0.519) 2.544 2.865 ( -0.350 -0.000 0.156) 0.383 2.929 ( -1.304 -0.000 -4.988) 5.156 2.963 ( -4.950 -0.000 3.995) 6.361 3.005 ( -2.181 -0.000 3.072) 3.767 3.068 ( -4.031 -0.000 -2.466) 4.726 3.125 ( 4.376 0.000 -3.332) 5.500 3.248 ( -3.851 -0.000 5.039) 6.342 3.438 ( 2.718 0.000 0.126) 2.721 3.463 ( 1.493 0.000 0.113) 1.497 3.605 ( 5.366 0.000 -2.442) 5.896 3.677 ( 0.743 0.000 -0.058) 0.745 4.012 ( 0.042 0.000 -2.786) 2.786 4.030 ( 1.647 0.000 -0.865) 1.860 4.060 ( -3.051 -0.000 1.681) 3.484 4.089 ( -1.350 -0.000 0.819) 1.579 4.197 ( 0.809 0.000 -0.167) 0.826 4.225 ( -1.301 -0.000 1.985) 2.374 ======================= Grid point 229 (112/114) ======================= q-point: ( 0.50 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.583 ( 1.633 -0.545 1.816) 2.502 0.620 ( -2.592 -0.774 -1.372) 3.033 0.760 ( 3.707 2.827 4.039) 6.168 0.807 ( -1.152 2.659 -0.905) 3.036 0.878 ( 1.373 0.442 -1.622) 2.170 0.897 ( -0.707 -1.360 0.198) 1.546 0.970 ( 3.283 -0.845 0.901) 3.508 1.051 ( -5.760 -1.248 -0.523) 5.917 1.124 ( 3.206 3.837 -8.129) 9.544 1.182 ( -5.449 3.570 6.033) 8.879 1.242 ( -0.116 -0.114 -2.864) 2.869 1.255 ( -2.643 0.521 3.283) 4.247 1.645 ( 2.943 1.852 -4.401) 5.609 1.676 ( -1.816 1.824 3.055) 3.995 1.808 ( 2.942 1.536 -1.346) 3.581 1.837 ( -0.346 0.695 3.923) 3.999 1.891 ( 4.301 2.990 1.074) 5.347 1.924 ( -0.639 2.251 3.776) 4.442 1.943 ( -2.198 2.248 -3.424) 4.648 1.964 ( -3.723 1.405 -3.650) 5.400 2.133 ( 5.993 0.693 -1.457) 6.206 2.202 ( -0.095 0.617 2.098) 2.189 2.248 ( 2.205 -1.881 4.764) 5.577 2.295 ( -0.444 -1.637 -3.709) 4.078 2.323 ( 1.135 -2.653 -3.616) 4.626 2.344 ( -2.946 -2.976 1.196) 4.355 2.476 ( -0.015 -0.283 0.203) 0.349 2.492 ( -1.538 -0.499 0.224) 1.633 2.562 ( 0.706 1.159 3.468) 3.724 2.598 ( -2.927 -0.257 -2.165) 3.650 2.827 ( 1.551 0.558 -1.815) 2.451 2.836 ( -0.300 2.096 1.923) 2.860 2.892 ( 0.543 1.983 -1.870) 2.779 2.928 ( -4.044 1.097 0.999) 4.307 2.992 ( 1.955 0.609 0.029) 2.048 3.041 ( -3.869 -0.397 0.042) 3.890 3.204 ( 3.467 -4.738 -4.824) 7.599 3.248 ( -3.367 -3.274 5.651) 7.347 3.453 ( 1.850 0.454 0.830) 2.077 3.470 ( -0.072 -0.121 -0.848) 0.859 3.633 ( 4.284 0.413 -1.084) 4.438 3.676 ( -1.188 0.143 0.066) 1.198 3.991 ( 0.967 1.757 -0.037) 2.005 4.017 ( -1.683 2.249 0.021) 2.809 4.057 ( 1.444 -0.642 -2.391) 2.866 4.086 ( -2.069 -0.243 1.748) 2.719 4.190 ( 1.055 1.468 -0.478) 1.870 4.206 ( -1.265 1.130 1.388) 2.192 ======================= Grid point 230 (113/114) ======================= q-point: ( 0.62 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.625 ( -1.062 -2.087 -1.585) 2.828 0.625 ( 1.062 -2.087 1.585) 2.828 0.734 ( -2.562 3.342 -4.288) 6.010 0.734 ( 2.562 3.342 4.288) 6.010 0.872 ( -3.125 1.738 -2.556) 4.396 0.872 ( 3.125 1.738 2.556) 4.396 1.017 ( -5.510 0.803 -3.191) 6.418 1.017 ( 5.510 0.803 3.191) 6.418 1.104 ( 2.930 0.208 -4.543) 5.410 1.104 ( -2.930 0.208 4.543) 5.410 1.224 ( 1.387 2.961 -4.380) 5.466 1.224 ( -1.387 2.961 4.380) 5.466 1.579 ( -1.158 5.707 -1.877) 6.119 1.579 ( 1.158 5.707 1.877) 6.119 1.828 ( 1.754 1.471 -2.683) 3.527 1.828 ( -1.754 1.471 2.683) 3.527 1.857 ( -1.912 4.121 -3.065) 5.480 1.857 ( 1.912 4.121 3.065) 5.480 1.933 ( -4.127 -3.390 -4.288) 6.849 1.933 ( 4.127 -3.390 4.288) 6.849 2.151 ( -0.515 1.522 -1.822) 2.429 2.151 ( 0.515 1.522 1.822) 2.429 2.309 ( -2.772 -0.179 -1.612) 3.212 2.309 ( 2.772 -0.179 1.612) 3.212 2.374 ( 1.085 -1.928 -2.247) 3.153 2.374 ( -1.085 -1.928 2.247) 3.153 2.493 ( 0.186 -1.041 -1.459) 1.802 2.493 ( -0.186 -1.041 1.459) 1.802 2.571 ( -2.671 -0.933 -3.406) 4.428 2.571 ( 2.671 -0.933 3.406) 4.428 2.799 ( 0.135 2.349 -5.607) 6.080 2.799 ( -0.135 2.349 5.607) 6.080 2.876 ( 0.920 1.339 -1.256) 2.054 2.876 ( -0.920 1.339 1.256) 2.054 3.034 ( -1.288 -2.438 -3.958) 4.824 3.034 ( 1.288 -2.438 3.958) 4.824 3.304 ( 1.650 -3.559 -3.757) 5.432 3.304 ( -1.650 -3.559 3.757) 5.432 3.460 ( -1.909 0.066 -2.883) 3.458 3.460 ( 1.909 0.066 2.883) 3.458 3.665 ( -0.446 -1.159 -3.046) 3.289 3.665 ( 0.446 -1.159 3.046) 3.289 3.961 ( -0.992 2.779 -1.479) 3.301 3.961 ( 0.992 2.779 1.479) 3.301 4.059 ( 0.440 1.682 -3.638) 4.032 4.059 ( -0.440 1.682 3.638) 4.032 4.170 ( -0.858 1.629 -0.188) 1.851 4.170 ( 0.858 1.629 0.188) 1.851 ======================= Grid point 239 (114/114) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 57 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( -2.019 -0.000 -2.062) 2.886 0.594 ( 2.019 0.000 2.062) 2.886 0.834 ( -2.669 -0.000 -5.407) 6.030 0.834 ( 2.669 0.000 5.407) 6.030 0.868 ( -2.122 -0.000 -1.250) 2.463 0.868 ( 2.122 0.000 1.250) 2.463 0.987 ( -4.688 -0.000 -1.307) 4.867 0.987 ( 4.688 0.000 1.307) 4.867 1.194 ( 4.473 0.000 -7.857) 9.041 1.194 ( -4.473 -0.000 7.857) 9.041 1.239 ( 2.012 0.000 -2.744) 3.403 1.239 ( -2.012 -0.000 2.744) 3.403 1.663 ( 2.031 0.000 -6.230) 6.552 1.663 ( -2.031 -0.000 6.230) 6.552 1.843 ( 0.268 0.000 -0.650) 0.703 1.843 ( -0.268 -0.000 0.650) 0.703 1.948 ( -1.965 -0.000 -4.981) 5.354 1.948 ( 1.965 0.000 4.981) 5.354 1.971 ( -1.165 -0.000 -4.248) 4.405 1.971 ( 1.165 0.000 4.248) 4.405 2.183 ( -6.087 -0.000 0.273) 6.093 2.183 ( 6.087 0.000 -0.273) 6.093 2.255 ( -5.423 -0.000 -4.516) 7.057 2.255 ( 5.423 0.000 4.516) 7.057 2.297 ( 0.422 0.000 -4.022) 4.045 2.297 ( -0.422 -0.000 4.022) 4.045 2.477 ( -0.102 -0.000 -0.927) 0.932 2.477 ( 0.102 0.000 0.927) 0.932 2.581 ( -0.062 -0.000 -4.758) 4.758 2.581 ( 0.062 0.000 4.758) 4.758 2.848 ( -1.943 -0.000 0.182) 1.951 2.848 ( 1.943 0.000 -0.182) 1.951 2.919 ( 1.529 0.000 -5.737) 5.937 2.919 ( -1.529 -0.000 5.737) 5.937 3.013 ( -2.122 -0.000 -3.356) 3.970 3.013 ( 2.122 0.000 3.356) 3.970 3.189 ( 4.631 0.000 -4.391) 6.381 3.189 ( -4.631 -0.000 4.391) 6.381 3.466 ( -0.918 -0.000 -0.018) 0.918 3.466 ( 0.918 0.000 0.018) 0.918 3.665 ( -2.462 -0.000 0.490) 2.510 3.665 ( 2.462 0.000 -0.490) 2.510 4.022 ( 1.908 0.000 -2.901) 3.472 4.022 ( -1.908 -0.000 2.901) 3.472 4.063 ( 2.145 0.000 -0.838) 2.303 4.063 ( -2.145 -0.000 0.838) 2.303 4.210 ( 0.945 0.000 -0.802) 1.240 4.210 ( -0.945 -0.000 0.802) 1.240 =================== 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 3/18432 10.0 8.401 6.124 7.632 0.000 -0.760 0.000 3/18432 20.0 2.378 1.754 2.257 0.000 -0.204 0.000 3/18432 30.0 1.319 0.972 1.266 0.000 -0.114 0.000 3/18432 40.0 0.913 0.673 0.885 0.000 -0.079 0.000 3/18432 50.0 0.702 0.518 0.685 0.000 -0.061 0.000 3/18432 60.0 0.572 0.424 0.562 0.000 -0.050 0.000 3/18432 70.0 0.484 0.359 0.478 0.000 -0.042 0.000 3/18432 80.0 0.420 0.312 0.416 0.000 -0.037 0.000 3/18432 90.0 0.371 0.277 0.369 0.000 -0.032 0.000 3/18432 100.0 0.333 0.248 0.332 0.000 -0.029 0.000 3/18432 110.0 0.302 0.225 0.301 0.000 -0.026 0.000 3/18432 120.0 0.276 0.206 0.276 0.000 -0.024 0.000 3/18432 130.0 0.254 0.190 0.255 0.000 -0.022 0.000 3/18432 140.0 0.236 0.177 0.236 0.000 -0.021 0.000 3/18432 150.0 0.220 0.165 0.220 0.000 -0.019 0.000 3/18432 160.0 0.206 0.154 0.207 0.000 -0.018 0.000 3/18432 170.0 0.194 0.145 0.194 0.000 -0.017 0.000 3/18432 180.0 0.183 0.137 0.184 0.000 -0.016 0.000 3/18432 190.0 0.173 0.130 0.174 0.000 -0.015 0.000 3/18432 200.0 0.165 0.123 0.165 0.000 -0.014 0.000 3/18432 210.0 0.157 0.117 0.157 0.000 -0.014 0.000 3/18432 220.0 0.150 0.112 0.150 0.000 -0.013 0.000 3/18432 230.0 0.143 0.107 0.144 0.000 -0.012 0.000 3/18432 240.0 0.137 0.103 0.138 0.000 -0.012 0.000 3/18432 250.0 0.132 0.099 0.132 0.000 -0.011 0.000 3/18432 260.0 0.126 0.095 0.127 0.000 -0.011 0.000 3/18432 270.0 0.122 0.091 0.122 0.000 -0.011 0.000 3/18432 280.0 0.117 0.088 0.118 0.000 -0.010 0.000 3/18432 290.0 0.113 0.085 0.114 0.000 -0.010 0.000 3/18432 300.0 0.110 0.082 0.110 0.000 -0.010 0.000 3/18432 310.0 0.106 0.080 0.107 0.000 -0.009 0.000 3/18432 320.0 0.103 0.077 0.103 0.000 -0.009 0.000 3/18432 330.0 0.100 0.075 0.100 0.000 -0.009 0.000 3/18432 340.0 0.097 0.073 0.097 0.000 -0.008 0.000 3/18432 350.0 0.094 0.070 0.094 0.000 -0.008 0.000 3/18432 360.0 0.091 0.068 0.092 0.000 -0.008 0.000 3/18432 370.0 0.089 0.067 0.089 0.000 -0.008 0.000 3/18432 380.0 0.086 0.065 0.087 0.000 -0.008 0.000 3/18432 390.0 0.084 0.063 0.085 0.000 -0.007 0.000 3/18432 400.0 0.082 0.062 0.083 0.000 -0.007 0.000 3/18432 410.0 0.080 0.060 0.081 0.000 -0.007 0.000 3/18432 420.0 0.078 0.059 0.079 0.000 -0.007 0.000 3/18432 430.0 0.076 0.057 0.077 0.000 -0.007 0.000 3/18432 440.0 0.075 0.056 0.075 0.000 -0.007 0.000 3/18432 450.0 0.073 0.055 0.073 0.000 -0.006 0.000 3/18432 460.0 0.071 0.054 0.072 0.000 -0.006 0.000 3/18432 470.0 0.070 0.052 0.070 0.000 -0.006 0.000 3/18432 480.0 0.068 0.051 0.069 0.000 -0.006 0.000 3/18432 490.0 0.067 0.050 0.067 0.000 -0.006 0.000 3/18432 500.0 0.066 0.049 0.066 0.000 -0.006 0.000 3/18432 510.0 0.064 0.048 0.065 0.000 -0.006 0.000 3/18432 520.0 0.063 0.047 0.064 0.000 -0.006 0.000 3/18432 530.0 0.062 0.047 0.062 0.000 -0.005 0.000 3/18432 540.0 0.061 0.046 0.061 0.000 -0.005 0.000 3/18432 550.0 0.060 0.045 0.060 0.000 -0.005 0.000 3/18432 560.0 0.059 0.044 0.059 0.000 -0.005 0.000 3/18432 570.0 0.058 0.043 0.058 0.000 -0.005 0.000 3/18432 580.0 0.057 0.042 0.057 0.000 -0.005 0.000 3/18432 590.0 0.056 0.042 0.056 0.000 -0.005 0.000 3/18432 600.0 0.055 0.041 0.055 0.000 -0.005 0.000 3/18432 610.0 0.054 0.040 0.054 0.000 -0.005 0.000 3/18432 620.0 0.053 0.040 0.053 0.000 -0.005 0.000 3/18432 630.0 0.052 0.039 0.052 0.000 -0.005 0.000 3/18432 640.0 0.051 0.039 0.052 0.000 -0.004 0.000 3/18432 650.0 0.050 0.038 0.051 0.000 -0.004 0.000 3/18432 660.0 0.050 0.037 0.050 0.000 -0.004 0.000 3/18432 670.0 0.049 0.037 0.049 0.000 -0.004 0.000 3/18432 680.0 0.048 0.036 0.049 0.000 -0.004 0.000 3/18432 690.0 0.048 0.036 0.048 0.000 -0.004 0.000 3/18432 700.0 0.047 0.035 0.047 0.000 -0.004 0.000 3/18432 710.0 0.046 0.035 0.047 0.000 -0.004 0.000 3/18432 720.0 0.046 0.034 0.046 0.000 -0.004 0.000 3/18432 730.0 0.045 0.034 0.045 0.000 -0.004 0.000 3/18432 740.0 0.044 0.033 0.045 0.000 -0.004 0.000 3/18432 750.0 0.044 0.033 0.044 0.000 -0.004 0.000 3/18432 760.0 0.043 0.032 0.043 0.000 -0.004 0.000 3/18432 770.0 0.043 0.032 0.043 0.000 -0.004 0.000 3/18432 780.0 0.042 0.032 0.042 0.000 -0.004 0.000 3/18432 790.0 0.042 0.031 0.042 0.000 -0.004 0.000 3/18432 800.0 0.041 0.031 0.041 0.000 -0.004 0.000 3/18432 810.0 0.041 0.030 0.041 0.000 -0.004 0.000 3/18432 820.0 0.040 0.030 0.040 0.000 -0.003 0.000 3/18432 830.0 0.040 0.030 0.040 0.000 -0.003 0.000 3/18432 840.0 0.039 0.029 0.039 0.000 -0.003 0.000 3/18432 850.0 0.039 0.029 0.039 0.000 -0.003 0.000 3/18432 860.0 0.038 0.029 0.038 0.000 -0.003 0.000 3/18432 870.0 0.038 0.028 0.038 0.000 -0.003 0.000 3/18432 880.0 0.037 0.028 0.038 0.000 -0.003 0.000 3/18432 890.0 0.037 0.028 0.037 0.000 -0.003 0.000 3/18432 900.0 0.036 0.027 0.037 0.000 -0.003 0.000 3/18432 910.0 0.036 0.027 0.036 0.000 -0.003 0.000 3/18432 920.0 0.036 0.027 0.036 0.000 -0.003 0.000 3/18432 930.0 0.035 0.027 0.036 0.000 -0.003 0.000 3/18432 940.0 0.035 0.026 0.035 0.000 -0.003 0.000 3/18432 950.0 0.035 0.026 0.035 0.000 -0.003 0.000 3/18432 960.0 0.034 0.026 0.034 0.000 -0.003 0.000 3/18432 970.0 0.034 0.025 0.034 0.000 -0.003 0.000 3/18432 980.0 0.033 0.025 0.034 0.000 -0.003 0.000 3/18432 990.0 0.033 0.025 0.033 0.000 -0.003 0.000 3/18432 1000.0 0.033 0.025 0.033 0.000 -0.003 0.000 3/18432 Thermal conductivity related properties were written into "kappa-m886.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 20:25:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|