----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 04:43:34]------------------------- 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: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.286529900000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.336686930000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.240628630000000 Atomic positions (fractional): *1 O 0.95354468008126 0.75000000000000 0.83076764812605 15.999 2 O 0.54645531991874 0.25000000000000 0.33076764812605 15.999 3 O 0.04645531991874 0.25000000000000 0.16923235187395 15.999 4 O 0.45354468008126 0.75000000000000 0.66923235187395 15.999 *5 O 0.82351529098116 0.03970852055851 0.20758053869721 15.999 6 O 0.67648470901884 0.96029147944149 0.70758053869721 15.999 7 O 0.17648470901884 0.53970852055851 0.79241946130279 15.999 8 O 0.32351529098116 0.46029147944149 0.29241946130279 15.999 9 O 0.17648470901884 0.96029147944149 0.79241946130279 15.999 10 O 0.32351529098116 0.03970852055851 0.29241946130279 15.999 11 O 0.82351529098116 0.46029147944149 0.20758053869721 15.999 12 O 0.67648470901884 0.53970852055851 0.70758053869721 15.999 *13 O 0.61230313561032 0.75000000000000 0.22125001482555 15.999 14 O 0.88769686438968 0.25000000000000 0.72125001482555 15.999 15 O 0.38769686438968 0.25000000000000 0.77874998517445 15.999 16 O 0.11230313561032 0.75000000000000 0.27874998517445 15.999 *17 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 18 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 19 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 20 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 *21 Ge 0.09854240386539 0.75000000000000 0.94945182534447 72.640 22 Ge 0.40145759613461 0.25000000000000 0.44945182534447 72.640 23 Ge 0.90145759613461 0.25000000000000 0.05054817465553 72.640 24 Ge 0.59854240386539 0.75000000000000 0.55054817465553 72.640 *25 Tm 0.77670116673578 0.75000000000000 0.99228634216410 168.934 26 Tm 0.72329883326422 0.25000000000000 0.49228634216410 168.934 27 Tm 0.22329883326422 0.25000000000000 0.00771365783590 168.934 28 Tm 0.27670116673578 0.75000000000000 0.50771365783590 168.934 -------------------------------- unit cell --------------------------------- Lattice vectors: a 11.286529900000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.336686930000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.240628630000000 Atomic positions (fractional): *1 O 0.95354468008126 0.75000000000000 0.83076764812605 15.999 > 1 2 O 0.54645531991874 0.25000000000000 0.33076764812605 15.999 > 2 3 O 0.04645531991874 0.25000000000000 0.16923235187395 15.999 > 3 4 O 0.45354468008126 0.75000000000000 0.66923235187395 15.999 > 4 *5 O 0.82351529098116 0.03970852055851 0.20758053869721 15.999 > 5 6 O 0.67648470901884 0.96029147944149 0.70758053869721 15.999 > 6 7 O 0.17648470901884 0.53970852055851 0.79241946130279 15.999 > 7 8 O 0.32351529098116 0.46029147944149 0.29241946130279 15.999 > 8 9 O 0.17648470901884 0.96029147944149 0.79241946130279 15.999 > 9 10 O 0.32351529098116 0.03970852055851 0.29241946130279 15.999 > 10 11 O 0.82351529098116 0.46029147944149 0.20758053869721 15.999 > 11 12 O 0.67648470901884 0.53970852055851 0.70758053869721 15.999 > 12 *13 O 0.61230313561032 0.75000000000000 0.22125001482555 15.999 > 13 14 O 0.88769686438968 0.25000000000000 0.72125001482555 15.999 > 14 15 O 0.38769686438968 0.25000000000000 0.77874998517445 15.999 > 15 16 O 0.11230313561032 0.75000000000000 0.27874998517445 15.999 > 16 *17 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 17 18 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 > 18 19 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 > 19 20 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 20 *21 Ge 0.09854240386539 0.75000000000000 0.94945182534447 72.640 > 21 22 Ge 0.40145759613461 0.25000000000000 0.44945182534447 72.640 > 22 23 Ge 0.90145759613461 0.25000000000000 0.05054817465553 72.640 > 23 24 Ge 0.59854240386539 0.75000000000000 0.55054817465553 72.640 > 24 *25 Tm 0.77670116673578 0.75000000000000 0.99228634216410 168.934 > 25 26 Tm 0.72329883326422 0.25000000000000 0.49228634216410 168.934 > 26 27 Tm 0.22329883326422 0.25000000000000 0.00771365783590 168.934 > 27 28 Tm 0.27670116673578 0.75000000000000 0.50771365783590 168.934 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.286529900000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.673373860000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.481257260000000 Atomic positions (fractional): *1 O 0.95354468008126 0.37500000000000 0.41538382406303 15.999 > 1 2 O 0.95354468008126 0.87500000000000 0.41538382406303 15.999 > 1 3 O 0.95354468008126 0.37500000000000 0.91538382406303 15.999 > 1 4 O 0.95354468008126 0.87500000000000 0.91538382406303 15.999 > 1 5 O 0.54645531991874 0.12500000000000 0.16538382406303 15.999 > 2 6 O 0.54645531991874 0.62500000000000 0.16538382406303 15.999 > 2 7 O 0.54645531991874 0.12500000000000 0.66538382406303 15.999 > 2 8 O 0.54645531991874 0.62500000000000 0.66538382406303 15.999 > 2 9 O 0.04645531991874 0.12500000000000 0.08461617593697 15.999 > 3 10 O 0.04645531991874 0.62500000000000 0.08461617593697 15.999 > 3 11 O 0.04645531991874 0.12500000000000 0.58461617593697 15.999 > 3 12 O 0.04645531991874 0.62500000000000 0.58461617593697 15.999 > 3 13 O 0.45354468008126 0.37500000000000 0.33461617593697 15.999 > 4 14 O 0.45354468008126 0.87500000000000 0.33461617593697 15.999 > 4 15 O 0.45354468008126 0.37500000000000 0.83461617593697 15.999 > 4 16 O 0.45354468008126 0.87500000000000 0.83461617593697 15.999 > 4 *17 O 0.82351529098116 0.01985426027925 0.10379026934860 15.999 > 5 18 O 0.82351529098116 0.51985426027925 0.10379026934860 15.999 > 5 19 O 0.82351529098116 0.01985426027925 0.60379026934860 15.999 > 5 20 O 0.82351529098116 0.51985426027925 0.60379026934860 15.999 > 5 21 O 0.67648470901884 0.48014573972075 0.35379026934860 15.999 > 6 22 O 0.67648470901884 0.98014573972075 0.35379026934860 15.999 > 6 23 O 0.67648470901884 0.48014573972075 0.85379026934860 15.999 > 6 24 O 0.67648470901884 0.98014573972075 0.85379026934860 15.999 > 6 25 O 0.17648470901884 0.26985426027925 0.39620973065140 15.999 > 7 26 O 0.17648470901884 0.76985426027925 0.39620973065140 15.999 > 7 27 O 0.17648470901884 0.26985426027925 0.89620973065140 15.999 > 7 28 O 0.17648470901884 0.76985426027925 0.89620973065140 15.999 > 7 29 O 0.32351529098116 0.23014573972075 0.14620973065140 15.999 > 8 30 O 0.32351529098116 0.73014573972075 0.14620973065140 15.999 > 8 31 O 0.32351529098116 0.23014573972075 0.64620973065140 15.999 > 8 32 O 0.32351529098116 0.73014573972075 0.64620973065140 15.999 > 8 33 O 0.17648470901884 0.48014573972075 0.39620973065140 15.999 > 9 34 O 0.17648470901884 0.98014573972075 0.39620973065140 15.999 > 9 35 O 0.17648470901884 0.48014573972075 0.89620973065140 15.999 > 9 36 O 0.17648470901884 0.98014573972075 0.89620973065140 15.999 > 9 37 O 0.32351529098116 0.01985426027925 0.14620973065140 15.999 > 10 38 O 0.32351529098116 0.51985426027925 0.14620973065140 15.999 > 10 39 O 0.32351529098116 0.01985426027925 0.64620973065140 15.999 > 10 40 O 0.32351529098116 0.51985426027925 0.64620973065140 15.999 > 10 41 O 0.82351529098116 0.23014573972075 0.10379026934860 15.999 > 11 42 O 0.82351529098116 0.73014573972075 0.10379026934860 15.999 > 11 43 O 0.82351529098116 0.23014573972075 0.60379026934860 15.999 > 11 44 O 0.82351529098116 0.73014573972075 0.60379026934860 15.999 > 11 45 O 0.67648470901884 0.26985426027925 0.35379026934860 15.999 > 12 46 O 0.67648470901884 0.76985426027925 0.35379026934860 15.999 > 12 47 O 0.67648470901884 0.26985426027925 0.85379026934860 15.999 > 12 48 O 0.67648470901884 0.76985426027925 0.85379026934860 15.999 > 12 *49 O 0.61230313561032 0.37500000000000 0.11062500741278 15.999 > 13 50 O 0.61230313561032 0.87500000000000 0.11062500741278 15.999 > 13 51 O 0.61230313561032 0.37500000000000 0.61062500741278 15.999 > 13 52 O 0.61230313561032 0.87500000000000 0.61062500741278 15.999 > 13 53 O 0.88769686438968 0.12500000000000 0.36062500741278 15.999 > 14 54 O 0.88769686438968 0.62500000000000 0.36062500741278 15.999 > 14 55 O 0.88769686438968 0.12500000000000 0.86062500741278 15.999 > 14 56 O 0.88769686438968 0.62500000000000 0.86062500741278 15.999 > 14 57 O 0.38769686438968 0.12500000000000 0.38937499258722 15.999 > 15 58 O 0.38769686438968 0.62500000000000 0.38937499258722 15.999 > 15 59 O 0.38769686438968 0.12500000000000 0.88937499258722 15.999 > 15 60 O 0.38769686438968 0.62500000000000 0.88937499258722 15.999 > 15 61 O 0.11230313561032 0.37500000000000 0.13937499258722 15.999 > 16 62 O 0.11230313561032 0.87500000000000 0.13937499258722 15.999 > 16 63 O 0.11230313561032 0.37500000000000 0.63937499258722 15.999 > 16 64 O 0.11230313561032 0.87500000000000 0.63937499258722 15.999 > 16 *65 Na 0.00000000000000 0.00000000000000 0.25000000000000 22.990 > 17 66 Na 0.00000000000000 0.50000000000000 0.25000000000000 22.990 > 17 67 Na 0.00000000000000 0.00000000000000 0.75000000000000 22.990 > 17 68 Na 0.00000000000000 0.50000000000000 0.75000000000000 22.990 > 17 69 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 > 18 70 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 18 71 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 > 18 72 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 > 18 73 Na 0.00000000000000 0.25000000000000 0.25000000000000 22.990 > 19 74 Na 0.00000000000000 0.75000000000000 0.25000000000000 22.990 > 19 75 Na 0.00000000000000 0.25000000000000 0.75000000000000 22.990 > 19 76 Na 0.00000000000000 0.75000000000000 0.75000000000000 22.990 > 19 77 Na 0.50000000000000 0.25000000000000 0.00000000000000 22.990 > 20 78 Na 0.50000000000000 0.75000000000000 0.00000000000000 22.990 > 20 79 Na 0.50000000000000 0.25000000000000 0.50000000000000 22.990 > 20 80 Na 0.50000000000000 0.75000000000000 0.50000000000000 22.990 > 20 *81 Ge 0.09854240386539 0.37500000000000 0.47472591267223 72.640 > 21 82 Ge 0.09854240386539 0.87500000000000 0.47472591267223 72.640 > 21 83 Ge 0.09854240386539 0.37500000000000 0.97472591267223 72.640 > 21 84 Ge 0.09854240386539 0.87500000000000 0.97472591267223 72.640 > 21 85 Ge 0.40145759613461 0.12500000000000 0.22472591267223 72.640 > 22 86 Ge 0.40145759613461 0.62500000000000 0.22472591267223 72.640 > 22 87 Ge 0.40145759613461 0.12500000000000 0.72472591267223 72.640 > 22 88 Ge 0.40145759613461 0.62500000000000 0.72472591267223 72.640 > 22 89 Ge 0.90145759613461 0.12500000000000 0.02527408732777 72.640 > 23 90 Ge 0.90145759613461 0.62500000000000 0.02527408732777 72.640 > 23 91 Ge 0.90145759613461 0.12500000000000 0.52527408732777 72.640 > 23 92 Ge 0.90145759613461 0.62500000000000 0.52527408732777 72.640 > 23 93 Ge 0.59854240386539 0.37500000000000 0.27527408732777 72.640 > 24 94 Ge 0.59854240386539 0.87500000000000 0.27527408732777 72.640 > 24 95 Ge 0.59854240386539 0.37500000000000 0.77527408732777 72.640 > 24 96 Ge 0.59854240386539 0.87500000000000 0.77527408732777 72.640 > 24 *97 Tm 0.77670116673578 0.37500000000000 0.49614317108205 168.934 > 25 98 Tm 0.77670116673578 0.87500000000000 0.49614317108205 168.934 > 25 99 Tm 0.77670116673578 0.37500000000000 0.99614317108205 168.934 > 25 100 Tm 0.77670116673578 0.87500000000000 0.99614317108205 168.934 > 25 101 Tm 0.72329883326422 0.12500000000000 0.24614317108205 168.934 > 26 102 Tm 0.72329883326422 0.62500000000000 0.24614317108205 168.934 > 26 103 Tm 0.72329883326422 0.12500000000000 0.74614317108205 168.934 > 26 104 Tm 0.72329883326422 0.62500000000000 0.74614317108205 168.934 > 26 105 Tm 0.22329883326422 0.12500000000000 0.00385682891795 168.934 > 27 106 Tm 0.22329883326422 0.62500000000000 0.00385682891795 168.934 > 27 107 Tm 0.22329883326422 0.12500000000000 0.50385682891795 168.934 > 27 108 Tm 0.22329883326422 0.62500000000000 0.50385682891795 168.934 > 27 109 Tm 0.27670116673578 0.37500000000000 0.25385682891795 168.934 > 28 110 Tm 0.27670116673578 0.87500000000000 0.25385682891795 168.934 > 28 111 Tm 0.27670116673578 0.37500000000000 0.75385682891795 168.934 > 28 112 Tm 0.27670116673578 0.87500000000000 0.75385682891795 168.934 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3905706 0.0000000 0.0000000 0.0000000 3.2682313 0.0000000 0.0000000 0.0000000 3.2229620 -------------------------- Born effective charges -------------------------- 1 O -3.1139835 0.0000000 0.0707362 0.0000000 -1.3914809 0.0000000 0.1473142 0.0000000 -1.3525268 2 O -3.1139835 0.0000000 -0.0707362 0.0000000 -1.3914809 0.0000000 -0.1473142 0.0000000 -1.3525268 3 O -3.1139835 0.0000000 0.0707362 0.0000000 -1.3914809 0.0000000 0.1473142 0.0000000 -1.3525268 4 O -3.1139835 0.0000000 -0.0707362 0.0000000 -1.3914809 0.0000000 -0.1473142 0.0000000 -1.3525268 5 O -1.6633335 -0.2562741 0.3213584 -0.3287063 -2.5557099 -0.3867058 0.3925841 -0.3148718 -1.8422134 6 O -1.6633335 -0.2562741 -0.3213584 -0.3287063 -2.5557099 0.3867058 -0.3925841 0.3148718 -1.8422134 7 O -1.6633335 0.2562741 0.3213584 0.3287063 -2.5557099 0.3867058 0.3925841 0.3148718 -1.8422134 8 O -1.6633335 0.2562741 -0.3213584 0.3287063 -2.5557099 -0.3867058 -0.3925841 -0.3148718 -1.8422134 9 O -1.6633335 -0.2562741 0.3213584 -0.3287063 -2.5557099 -0.3867058 0.3925841 -0.3148718 -1.8422134 10 O -1.6633335 -0.2562741 -0.3213584 -0.3287063 -2.5557099 0.3867058 -0.3925841 0.3148718 -1.8422134 11 O -1.6633335 0.2562741 0.3213584 0.3287063 -2.5557099 0.3867058 0.3925841 0.3148718 -1.8422134 12 O -1.6633335 0.2562741 -0.3213584 0.3287063 -2.5557099 -0.3867058 -0.3925841 -0.3148718 -1.8422134 13 O -1.8887007 0.0000000 0.5422710 0.0000000 -1.3210250 0.0000000 0.6198808 0.0000000 -2.4206932 14 O -1.8887007 0.0000000 -0.5422710 0.0000000 -1.3210250 0.0000000 -0.6198808 0.0000000 -2.4206932 15 O -1.8887007 0.0000000 0.5422710 0.0000000 -1.3210250 0.0000000 0.6198808 0.0000000 -2.4206932 16 O -1.8887007 0.0000000 -0.5422710 0.0000000 -1.3210250 0.0000000 -0.6198808 0.0000000 -2.4206932 17 Na 1.0434493 -0.1542255 0.0021331 -0.1016168 0.9769116 -0.0657101 -0.0121933 -0.0276246 1.1933728 18 Na 1.0434493 -0.1542255 -0.0021331 -0.1016168 0.9769116 0.0657101 0.0121933 0.0276246 1.1933728 19 Na 1.0434493 0.1542255 0.0021331 0.1016168 0.9769116 0.0657101 -0.0121933 0.0276246 1.1933728 20 Na 1.0434493 0.1542255 -0.0021331 0.1016168 0.9769116 -0.0657101 0.0121933 -0.0276246 1.1933728 21 Ge 3.2941893 0.0000000 0.1744356 0.0000000 2.9580240 0.0000000 -0.1313483 0.0000000 2.9551672 22 Ge 3.2941893 0.0000000 -0.1744356 0.0000000 2.9580240 0.0000000 0.1313483 0.0000000 2.9551672 23 Ge 3.2941893 0.0000000 0.1744356 0.0000000 2.9580240 0.0000000 -0.1313483 0.0000000 2.9551672 24 Ge 3.2941893 0.0000000 -0.1744356 0.0000000 2.9580240 0.0000000 0.1313483 0.0000000 2.9551672 25 Tm 3.9917127 0.0000000 -0.1229571 0.0000000 3.8889900 0.0000000 -0.1235508 0.0000000 3.3091069 26 Tm 3.9917127 0.0000000 0.1229571 0.0000000 3.8889900 0.0000000 0.1235508 0.0000000 3.3091069 27 Tm 3.9917127 0.0000000 -0.1229571 0.0000000 3.8889900 0.0000000 -0.1235508 0.0000000 3.3091069 28 Tm 3.9917127 0.0000000 0.1229571 0.0000000 3.8889900 0.0000000 0.1235508 0.0000000 3.3091069 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1910 Number of blocks in projector: 1910 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: 458 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 264 Use standard eigh solver. Tree of FC basis block matrices: - (1910, 1872), data: False |-- (264, 258), data: True |-- (264, 258), data: True |-- (264, 258), data: True |-- (330, 326), data: True |-- (330, 326), data: True |-- (458, 446), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 3.091 Solver_block: 200 / 480 - Time: 3.087 Solver_block: 300 / 480 - Time: 3.107 Solver_block: 400 / 480 - Time: 3.120 Solver_block: 480 / 480 - Time: 2.503 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 15.045 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1910 Number of blocks in projector: 1910 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: 458 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 264 Use standard eigh solver. Tree of FC basis block matrices: - (1910, 1872), data: False |-- (264, 258), data: True |-- (264, 258), data: True |-- (264, 258), data: True |-- (330, 326), data: True |-- (330, 326), data: True |-- (458, 446), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 04:44:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:44:13]------------------------- 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: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.286529900000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.336686930000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.240628630000000 Atomic positions (fractional): 1 O 0.95354468008126 0.75000000000000 0.83076764812605 15.999 2 O 0.54645531991874 0.25000000000000 0.33076764812605 15.999 3 O 0.04645531991874 0.25000000000000 0.16923235187395 15.999 4 O 0.45354468008126 0.75000000000000 0.66923235187395 15.999 5 O 0.82351529098116 0.03970852055851 0.20758053869721 15.999 6 O 0.67648470901884 0.96029147944149 0.70758053869721 15.999 7 O 0.17648470901884 0.53970852055851 0.79241946130279 15.999 8 O 0.32351529098116 0.46029147944149 0.29241946130279 15.999 9 O 0.17648470901884 0.96029147944149 0.79241946130279 15.999 10 O 0.32351529098116 0.03970852055851 0.29241946130279 15.999 11 O 0.82351529098116 0.46029147944149 0.20758053869721 15.999 12 O 0.67648470901884 0.53970852055851 0.70758053869721 15.999 13 O 0.61230313561032 0.75000000000000 0.22125001482555 15.999 14 O 0.88769686438968 0.25000000000000 0.72125001482555 15.999 15 O 0.38769686438968 0.25000000000000 0.77874998517445 15.999 16 O 0.11230313561032 0.75000000000000 0.27874998517445 15.999 17 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 18 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 19 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 20 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 21 Ge 0.09854240386539 0.75000000000000 0.94945182534447 72.640 22 Ge 0.40145759613461 0.25000000000000 0.44945182534447 72.640 23 Ge 0.90145759613461 0.25000000000000 0.05054817465553 72.640 24 Ge 0.59854240386539 0.75000000000000 0.55054817465553 72.640 25 Tm 0.77670116673578 0.75000000000000 0.99228634216410 168.934 26 Tm 0.72329883326422 0.25000000000000 0.49228634216410 168.934 27 Tm 0.22329883326422 0.25000000000000 0.00771365783590 168.934 28 Tm 0.27670116673578 0.75000000000000 0.50771365783590 168.934 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.286529900000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.673373860000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.481257260000000 Atomic positions (fractional): 1 O 0.95354468008126 0.37500000000000 0.41538382406303 15.999 > 1 2 O 0.95354468008126 0.87500000000000 0.41538382406303 15.999 > 1 3 O 0.95354468008126 0.37500000000000 0.91538382406303 15.999 > 1 4 O 0.95354468008126 0.87500000000000 0.91538382406303 15.999 > 1 5 O 0.54645531991874 0.12500000000000 0.16538382406303 15.999 > 5 6 O 0.54645531991874 0.62500000000000 0.16538382406303 15.999 > 5 7 O 0.54645531991874 0.12500000000000 0.66538382406303 15.999 > 5 8 O 0.54645531991874 0.62500000000000 0.66538382406303 15.999 > 5 9 O 0.04645531991874 0.12500000000000 0.08461617593697 15.999 > 9 10 O 0.04645531991874 0.62500000000000 0.08461617593697 15.999 > 9 11 O 0.04645531991874 0.12500000000000 0.58461617593697 15.999 > 9 12 O 0.04645531991874 0.62500000000000 0.58461617593697 15.999 > 9 13 O 0.45354468008126 0.37500000000000 0.33461617593697 15.999 > 13 14 O 0.45354468008126 0.87500000000000 0.33461617593697 15.999 > 13 15 O 0.45354468008126 0.37500000000000 0.83461617593697 15.999 > 13 16 O 0.45354468008126 0.87500000000000 0.83461617593697 15.999 > 13 17 O 0.82351529098116 0.01985426027925 0.10379026934860 15.999 > 17 18 O 0.82351529098116 0.51985426027925 0.10379026934860 15.999 > 17 19 O 0.82351529098116 0.01985426027925 0.60379026934860 15.999 > 17 20 O 0.82351529098116 0.51985426027925 0.60379026934860 15.999 > 17 21 O 0.67648470901884 0.48014573972075 0.35379026934860 15.999 > 21 22 O 0.67648470901884 0.98014573972075 0.35379026934860 15.999 > 21 23 O 0.67648470901884 0.48014573972075 0.85379026934860 15.999 > 21 24 O 0.67648470901884 0.98014573972075 0.85379026934860 15.999 > 21 25 O 0.17648470901884 0.26985426027925 0.39620973065140 15.999 > 25 26 O 0.17648470901884 0.76985426027925 0.39620973065140 15.999 > 25 27 O 0.17648470901884 0.26985426027925 0.89620973065140 15.999 > 25 28 O 0.17648470901884 0.76985426027925 0.89620973065140 15.999 > 25 29 O 0.32351529098116 0.23014573972075 0.14620973065140 15.999 > 29 30 O 0.32351529098116 0.73014573972075 0.14620973065140 15.999 > 29 31 O 0.32351529098116 0.23014573972075 0.64620973065140 15.999 > 29 32 O 0.32351529098116 0.73014573972075 0.64620973065140 15.999 > 29 33 O 0.17648470901884 0.48014573972075 0.39620973065140 15.999 > 33 34 O 0.17648470901884 0.98014573972075 0.39620973065140 15.999 > 33 35 O 0.17648470901884 0.48014573972075 0.89620973065140 15.999 > 33 36 O 0.17648470901884 0.98014573972075 0.89620973065140 15.999 > 33 37 O 0.32351529098116 0.01985426027925 0.14620973065140 15.999 > 37 38 O 0.32351529098116 0.51985426027925 0.14620973065140 15.999 > 37 39 O 0.32351529098116 0.01985426027925 0.64620973065140 15.999 > 37 40 O 0.32351529098116 0.51985426027925 0.64620973065140 15.999 > 37 41 O 0.82351529098116 0.23014573972075 0.10379026934860 15.999 > 41 42 O 0.82351529098116 0.73014573972075 0.10379026934860 15.999 > 41 43 O 0.82351529098116 0.23014573972075 0.60379026934860 15.999 > 41 44 O 0.82351529098116 0.73014573972075 0.60379026934860 15.999 > 41 45 O 0.67648470901884 0.26985426027925 0.35379026934860 15.999 > 45 46 O 0.67648470901884 0.76985426027925 0.35379026934860 15.999 > 45 47 O 0.67648470901884 0.26985426027925 0.85379026934860 15.999 > 45 48 O 0.67648470901884 0.76985426027925 0.85379026934860 15.999 > 45 49 O 0.61230313561032 0.37500000000000 0.11062500741278 15.999 > 49 50 O 0.61230313561032 0.87500000000000 0.11062500741278 15.999 > 49 51 O 0.61230313561032 0.37500000000000 0.61062500741278 15.999 > 49 52 O 0.61230313561032 0.87500000000000 0.61062500741278 15.999 > 49 53 O 0.88769686438968 0.12500000000000 0.36062500741278 15.999 > 53 54 O 0.88769686438968 0.62500000000000 0.36062500741278 15.999 > 53 55 O 0.88769686438968 0.12500000000000 0.86062500741278 15.999 > 53 56 O 0.88769686438968 0.62500000000000 0.86062500741278 15.999 > 53 57 O 0.38769686438968 0.12500000000000 0.38937499258722 15.999 > 57 58 O 0.38769686438968 0.62500000000000 0.38937499258722 15.999 > 57 59 O 0.38769686438968 0.12500000000000 0.88937499258722 15.999 > 57 60 O 0.38769686438968 0.62500000000000 0.88937499258722 15.999 > 57 61 O 0.11230313561032 0.37500000000000 0.13937499258722 15.999 > 61 62 O 0.11230313561032 0.87500000000000 0.13937499258722 15.999 > 61 63 O 0.11230313561032 0.37500000000000 0.63937499258722 15.999 > 61 64 O 0.11230313561032 0.87500000000000 0.63937499258722 15.999 > 61 65 Na 0.00000000000000 0.00000000000000 0.25000000000000 22.990 > 65 66 Na 0.00000000000000 0.50000000000000 0.25000000000000 22.990 > 65 67 Na 0.00000000000000 0.00000000000000 0.75000000000000 22.990 > 65 68 Na 0.00000000000000 0.50000000000000 0.75000000000000 22.990 > 65 69 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 > 69 70 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 69 71 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 > 69 72 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 > 69 73 Na 0.00000000000000 0.25000000000000 0.25000000000000 22.990 > 73 74 Na 0.00000000000000 0.75000000000000 0.25000000000000 22.990 > 73 75 Na 0.00000000000000 0.25000000000000 0.75000000000000 22.990 > 73 76 Na 0.00000000000000 0.75000000000000 0.75000000000000 22.990 > 73 77 Na 0.50000000000000 0.25000000000000 0.00000000000000 22.990 > 77 78 Na 0.50000000000000 0.75000000000000 0.00000000000000 22.990 > 77 79 Na 0.50000000000000 0.25000000000000 0.50000000000000 22.990 > 77 80 Na 0.50000000000000 0.75000000000000 0.50000000000000 22.990 > 77 81 Ge 0.09854240386539 0.37500000000000 0.47472591267223 72.640 > 81 82 Ge 0.09854240386539 0.87500000000000 0.47472591267223 72.640 > 81 83 Ge 0.09854240386539 0.37500000000000 0.97472591267223 72.640 > 81 84 Ge 0.09854240386539 0.87500000000000 0.97472591267223 72.640 > 81 85 Ge 0.40145759613461 0.12500000000000 0.22472591267223 72.640 > 85 86 Ge 0.40145759613461 0.62500000000000 0.22472591267223 72.640 > 85 87 Ge 0.40145759613461 0.12500000000000 0.72472591267223 72.640 > 85 88 Ge 0.40145759613461 0.62500000000000 0.72472591267223 72.640 > 85 89 Ge 0.90145759613461 0.12500000000000 0.02527408732777 72.640 > 89 90 Ge 0.90145759613461 0.62500000000000 0.02527408732777 72.640 > 89 91 Ge 0.90145759613461 0.12500000000000 0.52527408732777 72.640 > 89 92 Ge 0.90145759613461 0.62500000000000 0.52527408732777 72.640 > 89 93 Ge 0.59854240386539 0.37500000000000 0.27527408732777 72.640 > 93 94 Ge 0.59854240386539 0.87500000000000 0.27527408732777 72.640 > 93 95 Ge 0.59854240386539 0.37500000000000 0.77527408732777 72.640 > 93 96 Ge 0.59854240386539 0.87500000000000 0.77527408732777 72.640 > 93 97 Tm 0.77670116673578 0.37500000000000 0.49614317108205 168.934 > 97 98 Tm 0.77670116673578 0.87500000000000 0.49614317108205 168.934 > 97 99 Tm 0.77670116673578 0.37500000000000 0.99614317108205 168.934 > 97 100 Tm 0.77670116673578 0.87500000000000 0.99614317108205 168.934 > 97 101 Tm 0.72329883326422 0.12500000000000 0.24614317108205 168.934 > 101 102 Tm 0.72329883326422 0.62500000000000 0.24614317108205 168.934 > 101 103 Tm 0.72329883326422 0.12500000000000 0.74614317108205 168.934 > 101 104 Tm 0.72329883326422 0.62500000000000 0.74614317108205 168.934 > 101 105 Tm 0.22329883326422 0.12500000000000 0.00385682891795 168.934 > 105 106 Tm 0.22329883326422 0.62500000000000 0.00385682891795 168.934 > 105 107 Tm 0.22329883326422 0.12500000000000 0.50385682891795 168.934 > 105 108 Tm 0.22329883326422 0.62500000000000 0.50385682891795 168.934 > 105 109 Tm 0.27670116673578 0.37500000000000 0.25385682891795 168.934 > 109 110 Tm 0.27670116673578 0.87500000000000 0.25385682891795 168.934 > 109 111 Tm 0.27670116673578 0.37500000000000 0.75385682891795 168.934 > 109 112 Tm 0.27670116673578 0.87500000000000 0.75385682891795 168.934 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3905706 0.0000000 0.0000000 0.0000000 3.2682313 0.0000000 0.0000000 0.0000000 3.2229620 -------------------------- Born effective charges -------------------------- 1 O -3.1139835 0.0000000 0.0707362 0.0000000 -1.3914809 0.0000000 0.1473142 0.0000000 -1.3525268 2 O -3.1139835 0.0000000 -0.0707362 0.0000000 -1.3914809 0.0000000 -0.1473142 0.0000000 -1.3525268 3 O -3.1139835 0.0000000 0.0707362 0.0000000 -1.3914809 0.0000000 0.1473142 0.0000000 -1.3525268 4 O -3.1139835 0.0000000 -0.0707362 0.0000000 -1.3914809 0.0000000 -0.1473142 0.0000000 -1.3525268 5 O -1.6633335 -0.2562741 0.3213584 -0.3287063 -2.5557099 -0.3867058 0.3925841 -0.3148718 -1.8422134 6 O -1.6633335 -0.2562741 -0.3213584 -0.3287063 -2.5557099 0.3867058 -0.3925841 0.3148718 -1.8422134 7 O -1.6633335 0.2562741 0.3213584 0.3287063 -2.5557099 0.3867058 0.3925841 0.3148718 -1.8422134 8 O -1.6633335 0.2562741 -0.3213584 0.3287063 -2.5557099 -0.3867058 -0.3925841 -0.3148718 -1.8422134 9 O -1.6633335 -0.2562741 0.3213584 -0.3287063 -2.5557099 -0.3867058 0.3925841 -0.3148718 -1.8422134 10 O -1.6633335 -0.2562741 -0.3213584 -0.3287063 -2.5557099 0.3867058 -0.3925841 0.3148718 -1.8422134 11 O -1.6633335 0.2562741 0.3213584 0.3287063 -2.5557099 0.3867058 0.3925841 0.3148718 -1.8422134 12 O -1.6633335 0.2562741 -0.3213584 0.3287063 -2.5557099 -0.3867058 -0.3925841 -0.3148718 -1.8422134 13 O -1.8887007 0.0000000 0.5422710 0.0000000 -1.3210250 0.0000000 0.6198808 0.0000000 -2.4206932 14 O -1.8887007 0.0000000 -0.5422710 0.0000000 -1.3210250 0.0000000 -0.6198808 0.0000000 -2.4206932 15 O -1.8887007 0.0000000 0.5422710 0.0000000 -1.3210250 0.0000000 0.6198808 0.0000000 -2.4206932 16 O -1.8887007 0.0000000 -0.5422710 0.0000000 -1.3210250 0.0000000 -0.6198808 0.0000000 -2.4206932 17 Na 1.0434493 -0.1542255 0.0021331 -0.1016168 0.9769116 -0.0657101 -0.0121933 -0.0276246 1.1933728 18 Na 1.0434493 -0.1542255 -0.0021331 -0.1016168 0.9769116 0.0657101 0.0121933 0.0276246 1.1933728 19 Na 1.0434493 0.1542255 0.0021331 0.1016168 0.9769116 0.0657101 -0.0121933 0.0276246 1.1933728 20 Na 1.0434493 0.1542255 -0.0021331 0.1016168 0.9769116 -0.0657101 0.0121933 -0.0276246 1.1933728 21 Ge 3.2941893 0.0000000 0.1744356 0.0000000 2.9580240 0.0000000 -0.1313483 0.0000000 2.9551672 22 Ge 3.2941893 0.0000000 -0.1744356 0.0000000 2.9580240 0.0000000 0.1313483 0.0000000 2.9551672 23 Ge 3.2941893 0.0000000 0.1744356 0.0000000 2.9580240 0.0000000 -0.1313483 0.0000000 2.9551672 24 Ge 3.2941893 0.0000000 -0.1744356 0.0000000 2.9580240 0.0000000 0.1313483 0.0000000 2.9551672 25 Tm 3.9917127 0.0000000 -0.1229571 0.0000000 3.8889900 0.0000000 -0.1235508 0.0000000 3.3091069 26 Tm 3.9917127 0.0000000 0.1229571 0.0000000 3.8889900 0.0000000 0.1235508 0.0000000 3.3091069 27 Tm 3.9917127 0.0000000 -0.1229571 0.0000000 3.8889900 0.0000000 -0.1235508 0.0000000 3.3091069 28 Tm 3.9917127 0.0000000 0.1229571 0.0000000 3.8889900 0.0000000 0.1235508 0.0000000 3.3091069 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000002 (xzx) 0.00000002 (xzx) 0.00000002 (xxz) 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 04:44:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:44:37]------------------------- 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: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.286529900000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.336686930000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.240628630000000 Atomic positions (fractional): 1 O 0.95354468008126 0.75000000000000 0.83076764812605 15.999 2 O 0.54645531991874 0.25000000000000 0.33076764812605 15.999 3 O 0.04645531991874 0.25000000000000 0.16923235187395 15.999 4 O 0.45354468008126 0.75000000000000 0.66923235187395 15.999 5 O 0.82351529098116 0.03970852055851 0.20758053869721 15.999 6 O 0.67648470901884 0.96029147944149 0.70758053869721 15.999 7 O 0.17648470901884 0.53970852055851 0.79241946130279 15.999 8 O 0.32351529098116 0.46029147944149 0.29241946130279 15.999 9 O 0.17648470901884 0.96029147944149 0.79241946130279 15.999 10 O 0.32351529098116 0.03970852055851 0.29241946130279 15.999 11 O 0.82351529098116 0.46029147944149 0.20758053869721 15.999 12 O 0.67648470901884 0.53970852055851 0.70758053869721 15.999 13 O 0.61230313561032 0.75000000000000 0.22125001482555 15.999 14 O 0.88769686438968 0.25000000000000 0.72125001482555 15.999 15 O 0.38769686438968 0.25000000000000 0.77874998517445 15.999 16 O 0.11230313561032 0.75000000000000 0.27874998517445 15.999 17 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 18 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 19 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 20 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 21 Ge 0.09854240386539 0.75000000000000 0.94945182534447 72.640 22 Ge 0.40145759613461 0.25000000000000 0.44945182534447 72.640 23 Ge 0.90145759613461 0.25000000000000 0.05054817465553 72.640 24 Ge 0.59854240386539 0.75000000000000 0.55054817465553 72.640 25 Tm 0.77670116673578 0.75000000000000 0.99228634216410 168.934 26 Tm 0.72329883326422 0.25000000000000 0.49228634216410 168.934 27 Tm 0.22329883326422 0.25000000000000 0.00771365783590 168.934 28 Tm 0.27670116673578 0.75000000000000 0.50771365783590 168.934 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.286529900000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.673373860000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.481257260000000 Atomic positions (fractional): 1 O 0.95354468008126 0.37500000000000 0.41538382406303 15.999 > 1 2 O 0.95354468008126 0.87500000000000 0.41538382406303 15.999 > 1 3 O 0.95354468008126 0.37500000000000 0.91538382406303 15.999 > 1 4 O 0.95354468008126 0.87500000000000 0.91538382406303 15.999 > 1 5 O 0.54645531991874 0.12500000000000 0.16538382406303 15.999 > 5 6 O 0.54645531991874 0.62500000000000 0.16538382406303 15.999 > 5 7 O 0.54645531991874 0.12500000000000 0.66538382406303 15.999 > 5 8 O 0.54645531991874 0.62500000000000 0.66538382406303 15.999 > 5 9 O 0.04645531991874 0.12500000000000 0.08461617593697 15.999 > 9 10 O 0.04645531991874 0.62500000000000 0.08461617593697 15.999 > 9 11 O 0.04645531991874 0.12500000000000 0.58461617593697 15.999 > 9 12 O 0.04645531991874 0.62500000000000 0.58461617593697 15.999 > 9 13 O 0.45354468008126 0.37500000000000 0.33461617593697 15.999 > 13 14 O 0.45354468008126 0.87500000000000 0.33461617593697 15.999 > 13 15 O 0.45354468008126 0.37500000000000 0.83461617593697 15.999 > 13 16 O 0.45354468008126 0.87500000000000 0.83461617593697 15.999 > 13 17 O 0.82351529098116 0.01985426027925 0.10379026934860 15.999 > 17 18 O 0.82351529098116 0.51985426027925 0.10379026934860 15.999 > 17 19 O 0.82351529098116 0.01985426027925 0.60379026934860 15.999 > 17 20 O 0.82351529098116 0.51985426027925 0.60379026934860 15.999 > 17 21 O 0.67648470901884 0.48014573972075 0.35379026934860 15.999 > 21 22 O 0.67648470901884 0.98014573972075 0.35379026934860 15.999 > 21 23 O 0.67648470901884 0.48014573972075 0.85379026934860 15.999 > 21 24 O 0.67648470901884 0.98014573972075 0.85379026934860 15.999 > 21 25 O 0.17648470901884 0.26985426027925 0.39620973065140 15.999 > 25 26 O 0.17648470901884 0.76985426027925 0.39620973065140 15.999 > 25 27 O 0.17648470901884 0.26985426027925 0.89620973065140 15.999 > 25 28 O 0.17648470901884 0.76985426027925 0.89620973065140 15.999 > 25 29 O 0.32351529098116 0.23014573972075 0.14620973065140 15.999 > 29 30 O 0.32351529098116 0.73014573972075 0.14620973065140 15.999 > 29 31 O 0.32351529098116 0.23014573972075 0.64620973065140 15.999 > 29 32 O 0.32351529098116 0.73014573972075 0.64620973065140 15.999 > 29 33 O 0.17648470901884 0.48014573972075 0.39620973065140 15.999 > 33 34 O 0.17648470901884 0.98014573972075 0.39620973065140 15.999 > 33 35 O 0.17648470901884 0.48014573972075 0.89620973065140 15.999 > 33 36 O 0.17648470901884 0.98014573972075 0.89620973065140 15.999 > 33 37 O 0.32351529098116 0.01985426027925 0.14620973065140 15.999 > 37 38 O 0.32351529098116 0.51985426027925 0.14620973065140 15.999 > 37 39 O 0.32351529098116 0.01985426027925 0.64620973065140 15.999 > 37 40 O 0.32351529098116 0.51985426027925 0.64620973065140 15.999 > 37 41 O 0.82351529098116 0.23014573972075 0.10379026934860 15.999 > 41 42 O 0.82351529098116 0.73014573972075 0.10379026934860 15.999 > 41 43 O 0.82351529098116 0.23014573972075 0.60379026934860 15.999 > 41 44 O 0.82351529098116 0.73014573972075 0.60379026934860 15.999 > 41 45 O 0.67648470901884 0.26985426027925 0.35379026934860 15.999 > 45 46 O 0.67648470901884 0.76985426027925 0.35379026934860 15.999 > 45 47 O 0.67648470901884 0.26985426027925 0.85379026934860 15.999 > 45 48 O 0.67648470901884 0.76985426027925 0.85379026934860 15.999 > 45 49 O 0.61230313561032 0.37500000000000 0.11062500741278 15.999 > 49 50 O 0.61230313561032 0.87500000000000 0.11062500741278 15.999 > 49 51 O 0.61230313561032 0.37500000000000 0.61062500741278 15.999 > 49 52 O 0.61230313561032 0.87500000000000 0.61062500741278 15.999 > 49 53 O 0.88769686438968 0.12500000000000 0.36062500741278 15.999 > 53 54 O 0.88769686438968 0.62500000000000 0.36062500741278 15.999 > 53 55 O 0.88769686438968 0.12500000000000 0.86062500741278 15.999 > 53 56 O 0.88769686438968 0.62500000000000 0.86062500741278 15.999 > 53 57 O 0.38769686438968 0.12500000000000 0.38937499258722 15.999 > 57 58 O 0.38769686438968 0.62500000000000 0.38937499258722 15.999 > 57 59 O 0.38769686438968 0.12500000000000 0.88937499258722 15.999 > 57 60 O 0.38769686438968 0.62500000000000 0.88937499258722 15.999 > 57 61 O 0.11230313561032 0.37500000000000 0.13937499258722 15.999 > 61 62 O 0.11230313561032 0.87500000000000 0.13937499258722 15.999 > 61 63 O 0.11230313561032 0.37500000000000 0.63937499258722 15.999 > 61 64 O 0.11230313561032 0.87500000000000 0.63937499258722 15.999 > 61 65 Na 0.00000000000000 0.00000000000000 0.25000000000000 22.990 > 65 66 Na 0.00000000000000 0.50000000000000 0.25000000000000 22.990 > 65 67 Na 0.00000000000000 0.00000000000000 0.75000000000000 22.990 > 65 68 Na 0.00000000000000 0.50000000000000 0.75000000000000 22.990 > 65 69 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 > 69 70 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 69 71 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 > 69 72 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 > 69 73 Na 0.00000000000000 0.25000000000000 0.25000000000000 22.990 > 73 74 Na 0.00000000000000 0.75000000000000 0.25000000000000 22.990 > 73 75 Na 0.00000000000000 0.25000000000000 0.75000000000000 22.990 > 73 76 Na 0.00000000000000 0.75000000000000 0.75000000000000 22.990 > 73 77 Na 0.50000000000000 0.25000000000000 0.00000000000000 22.990 > 77 78 Na 0.50000000000000 0.75000000000000 0.00000000000000 22.990 > 77 79 Na 0.50000000000000 0.25000000000000 0.50000000000000 22.990 > 77 80 Na 0.50000000000000 0.75000000000000 0.50000000000000 22.990 > 77 81 Ge 0.09854240386539 0.37500000000000 0.47472591267223 72.640 > 81 82 Ge 0.09854240386539 0.87500000000000 0.47472591267223 72.640 > 81 83 Ge 0.09854240386539 0.37500000000000 0.97472591267223 72.640 > 81 84 Ge 0.09854240386539 0.87500000000000 0.97472591267223 72.640 > 81 85 Ge 0.40145759613461 0.12500000000000 0.22472591267223 72.640 > 85 86 Ge 0.40145759613461 0.62500000000000 0.22472591267223 72.640 > 85 87 Ge 0.40145759613461 0.12500000000000 0.72472591267223 72.640 > 85 88 Ge 0.40145759613461 0.62500000000000 0.72472591267223 72.640 > 85 89 Ge 0.90145759613461 0.12500000000000 0.02527408732777 72.640 > 89 90 Ge 0.90145759613461 0.62500000000000 0.02527408732777 72.640 > 89 91 Ge 0.90145759613461 0.12500000000000 0.52527408732777 72.640 > 89 92 Ge 0.90145759613461 0.62500000000000 0.52527408732777 72.640 > 89 93 Ge 0.59854240386539 0.37500000000000 0.27527408732777 72.640 > 93 94 Ge 0.59854240386539 0.87500000000000 0.27527408732777 72.640 > 93 95 Ge 0.59854240386539 0.37500000000000 0.77527408732777 72.640 > 93 96 Ge 0.59854240386539 0.87500000000000 0.77527408732777 72.640 > 93 97 Tm 0.77670116673578 0.37500000000000 0.49614317108205 168.934 > 97 98 Tm 0.77670116673578 0.87500000000000 0.49614317108205 168.934 > 97 99 Tm 0.77670116673578 0.37500000000000 0.99614317108205 168.934 > 97 100 Tm 0.77670116673578 0.87500000000000 0.99614317108205 168.934 > 97 101 Tm 0.72329883326422 0.12500000000000 0.24614317108205 168.934 > 101 102 Tm 0.72329883326422 0.62500000000000 0.24614317108205 168.934 > 101 103 Tm 0.72329883326422 0.12500000000000 0.74614317108205 168.934 > 101 104 Tm 0.72329883326422 0.62500000000000 0.74614317108205 168.934 > 101 105 Tm 0.22329883326422 0.12500000000000 0.00385682891795 168.934 > 105 106 Tm 0.22329883326422 0.62500000000000 0.00385682891795 168.934 > 105 107 Tm 0.22329883326422 0.12500000000000 0.50385682891795 168.934 > 105 108 Tm 0.22329883326422 0.62500000000000 0.50385682891795 168.934 > 105 109 Tm 0.27670116673578 0.37500000000000 0.25385682891795 168.934 > 109 110 Tm 0.27670116673578 0.87500000000000 0.25385682891795 168.934 > 109 111 Tm 0.27670116673578 0.37500000000000 0.75385682891795 168.934 > 109 112 Tm 0.27670116673578 0.87500000000000 0.75385682891795 168.934 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.3905706 0.0000000 0.0000000 0.0000000 3.2682313 0.0000000 0.0000000 0.0000000 3.2229620 -------------------------- Born effective charges -------------------------- 1 O -3.1139835 0.0000000 0.0707362 0.0000000 -1.3914809 0.0000000 0.1473142 0.0000000 -1.3525268 2 O -3.1139835 0.0000000 -0.0707362 0.0000000 -1.3914809 0.0000000 -0.1473142 0.0000000 -1.3525268 3 O -3.1139835 0.0000000 0.0707362 0.0000000 -1.3914809 0.0000000 0.1473142 0.0000000 -1.3525268 4 O -3.1139835 0.0000000 -0.0707362 0.0000000 -1.3914809 0.0000000 -0.1473142 0.0000000 -1.3525268 5 O -1.6633335 -0.2562741 0.3213584 -0.3287063 -2.5557099 -0.3867058 0.3925841 -0.3148718 -1.8422134 6 O -1.6633335 -0.2562741 -0.3213584 -0.3287063 -2.5557099 0.3867058 -0.3925841 0.3148718 -1.8422134 7 O -1.6633335 0.2562741 0.3213584 0.3287063 -2.5557099 0.3867058 0.3925841 0.3148718 -1.8422134 8 O -1.6633335 0.2562741 -0.3213584 0.3287063 -2.5557099 -0.3867058 -0.3925841 -0.3148718 -1.8422134 9 O -1.6633335 -0.2562741 0.3213584 -0.3287063 -2.5557099 -0.3867058 0.3925841 -0.3148718 -1.8422134 10 O -1.6633335 -0.2562741 -0.3213584 -0.3287063 -2.5557099 0.3867058 -0.3925841 0.3148718 -1.8422134 11 O -1.6633335 0.2562741 0.3213584 0.3287063 -2.5557099 0.3867058 0.3925841 0.3148718 -1.8422134 12 O -1.6633335 0.2562741 -0.3213584 0.3287063 -2.5557099 -0.3867058 -0.3925841 -0.3148718 -1.8422134 13 O -1.8887007 0.0000000 0.5422710 0.0000000 -1.3210250 0.0000000 0.6198808 0.0000000 -2.4206932 14 O -1.8887007 0.0000000 -0.5422710 0.0000000 -1.3210250 0.0000000 -0.6198808 0.0000000 -2.4206932 15 O -1.8887007 0.0000000 0.5422710 0.0000000 -1.3210250 0.0000000 0.6198808 0.0000000 -2.4206932 16 O -1.8887007 0.0000000 -0.5422710 0.0000000 -1.3210250 0.0000000 -0.6198808 0.0000000 -2.4206932 17 Na 1.0434493 -0.1542255 0.0021331 -0.1016168 0.9769116 -0.0657101 -0.0121933 -0.0276246 1.1933728 18 Na 1.0434493 -0.1542255 -0.0021331 -0.1016168 0.9769116 0.0657101 0.0121933 0.0276246 1.1933728 19 Na 1.0434493 0.1542255 0.0021331 0.1016168 0.9769116 0.0657101 -0.0121933 0.0276246 1.1933728 20 Na 1.0434493 0.1542255 -0.0021331 0.1016168 0.9769116 -0.0657101 0.0121933 -0.0276246 1.1933728 21 Ge 3.2941893 0.0000000 0.1744356 0.0000000 2.9580240 0.0000000 -0.1313483 0.0000000 2.9551672 22 Ge 3.2941893 0.0000000 -0.1744356 0.0000000 2.9580240 0.0000000 0.1313483 0.0000000 2.9551672 23 Ge 3.2941893 0.0000000 0.1744356 0.0000000 2.9580240 0.0000000 -0.1313483 0.0000000 2.9551672 24 Ge 3.2941893 0.0000000 -0.1744356 0.0000000 2.9580240 0.0000000 0.1313483 0.0000000 2.9551672 25 Tm 3.9917127 0.0000000 -0.1229571 0.0000000 3.8889900 0.0000000 -0.1235508 0.0000000 3.3091069 26 Tm 3.9917127 0.0000000 0.1229571 0.0000000 3.8889900 0.0000000 0.1235508 0.0000000 3.3091069 27 Tm 3.9917127 0.0000000 -0.1229571 0.0000000 3.8889900 0.0000000 -0.1235508 0.0000000 3.3091069 28 Tm 3.9917127 0.0000000 0.1229571 0.0000000 3.8889900 0.0000000 0.1235508 0.0000000 3.3091069 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (xzx) 0.00000002 (xzx) 0.00000002 (xxz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 4 8 10 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.58, Number of G-points: 293, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/90) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.801 ( 0.000 0.000 0.000) 0.000 2.048 ( 0.000 0.000 0.000) 0.000 2.443 ( 0.000 0.000 0.000) 0.000 3.008 ( 0.000 0.000 0.000) 0.000 3.048 ( 0.000 0.000 0.000) 0.000 3.271 ( 0.000 0.000 0.000) 0.000 3.289 ( 0.000 0.000 0.000) 0.000 3.416 ( 0.000 0.000 0.000) 0.000 3.513 ( 0.000 0.000 0.000) 0.000 3.704 ( 0.000 0.000 0.000) 0.000 4.026 ( 0.000 0.000 0.000) 0.000 4.031 ( 0.000 0.000 0.000) 0.000 4.127 ( 0.000 0.000 0.000) 0.000 4.428 ( 0.000 0.000 0.000) 0.000 4.547 ( 0.000 0.000 0.000) 0.000 4.693 ( 0.000 0.000 0.000) 0.000 4.728 ( 0.000 0.000 0.000) 0.000 4.804 ( 0.000 0.000 0.000) 0.000 4.897 ( 0.000 0.000 0.000) 0.000 5.060 ( 0.000 0.000 0.000) 0.000 5.204 ( 0.000 0.000 0.000) 0.000 5.338 ( 0.000 0.000 0.000) 0.000 5.551 ( 0.000 0.000 0.000) 0.000 5.719 ( 0.000 0.000 0.000) 0.000 5.793 ( 0.000 0.000 0.000) 0.000 5.890 ( 0.000 0.000 0.000) 0.000 6.008 ( 0.000 0.000 0.000) 0.000 6.294 ( 0.000 0.000 0.000) 0.000 6.350 ( 0.000 0.000 0.000) 0.000 6.680 ( 0.000 0.000 0.000) 0.000 6.905 ( 0.000 0.000 0.000) 0.000 7.120 ( 0.000 0.000 0.000) 0.000 7.411 ( 0.000 0.000 0.000) 0.000 7.454 ( 0.000 0.000 0.000) 0.000 7.521 ( 0.000 0.000 0.000) 0.000 7.592 ( 0.000 0.000 0.000) 0.000 8.043 ( 0.000 0.000 0.000) 0.000 8.343 ( 0.000 0.000 0.000) 0.000 8.374 ( 0.000 0.000 0.000) 0.000 8.510 ( 0.000 0.000 0.000) 0.000 8.607 ( 0.000 0.000 0.000) 0.000 8.663 ( 0.000 0.000 0.000) 0.000 8.718 ( 0.000 0.000 0.000) 0.000 8.912 ( 0.000 0.000 0.000) 0.000 9.036 ( 0.000 0.000 0.000) 0.000 9.328 ( 0.000 0.000 0.000) 0.000 9.355 ( 0.000 0.000 0.000) 0.000 10.765 ( 0.000 0.000 0.000) 0.000 10.958 ( 0.000 0.000 0.000) 0.000 11.009 ( 0.000 0.000 0.000) 0.000 11.071 ( 0.000 0.000 0.000) 0.000 11.238 ( 0.000 0.000 0.000) 0.000 11.503 ( 0.000 0.000 0.000) 0.000 11.666 ( 0.000 0.000 0.000) 0.000 12.045 ( 0.000 0.000 0.000) 0.000 12.078 ( 0.000 0.000 0.000) 0.000 12.349 ( 0.000 0.000 0.000) 0.000 12.354 ( 0.000 0.000 0.000) 0.000 12.422 ( 0.000 0.000 0.000) 0.000 12.741 ( 0.000 0.000 0.000) 0.000 13.053 ( 0.000 0.000 0.000) 0.000 13.653 ( 0.000 0.000 0.000) 0.000 13.773 ( 0.000 0.000 0.000) 0.000 15.298 ( 0.000 0.000 0.000) 0.000 16.124 ( 0.000 0.000 0.000) 0.000 18.642 ( 0.000 0.000 0.000) 0.000 18.677 ( 0.000 0.000 0.000) 0.000 18.701 ( 0.000 0.000 0.000) 0.000 18.718 ( 0.000 0.000 0.000) 0.000 20.491 ( 0.000 0.000 0.000) 0.000 20.630 ( 0.000 0.000 0.000) 0.000 21.182 ( 0.000 0.000 0.000) 0.000 21.252 ( 0.000 0.000 0.000) 0.000 22.084 ( 0.000 0.000 0.000) 0.000 22.296 ( 0.000 0.000 0.000) 0.000 22.642 ( 0.000 0.000 0.000) 0.000 22.752 ( 0.000 0.000 0.000) 0.000 23.023 ( 0.000 0.000 0.000) 0.000 23.122 ( 0.000 0.000 0.000) 0.000 23.366 ( 0.000 0.000 0.000) 0.000 24.591 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/90) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.653 ( 28.206 0.000 0.000) 28.206 0.686 ( 30.124 0.000 0.000) 30.124 1.263 ( 53.962 0.000 0.000) 53.962 1.635 ( -13.931 0.000 0.000) 13.931 1.843 ( -15.557 0.000 0.000) 15.557 2.520 ( 6.046 0.000 0.000) 6.046 2.853 ( -7.948 0.000 0.000) 7.948 3.196 ( 7.277 0.000 0.000) 7.277 3.300 ( -0.292 0.000 0.000) 0.292 3.315 ( 2.498 0.000 0.000) 2.498 3.397 ( -29.292 0.000 0.000) 29.292 3.472 ( -3.823 0.000 0.000) 3.823 3.532 ( 8.953 0.000 0.000) 8.953 3.902 ( -5.926 0.000 0.000) 5.926 4.035 ( 1.967 0.000 0.000) 1.967 4.209 ( 6.113 0.000 0.000) 6.113 4.317 ( -8.013 0.000 0.000) 8.013 4.608 ( -7.466 0.000 0.000) 7.466 4.651 ( 8.025 0.000 0.000) 8.025 4.891 ( 5.431 0.000 0.000) 5.431 4.926 ( 1.638 0.000 0.000) 1.638 4.959 ( -0.377 0.000 0.000) 0.377 5.013 ( -3.263 0.000 0.000) 3.263 5.222 ( 1.491 0.000 0.000) 1.491 5.251 ( -6.650 0.000 0.000) 6.650 5.391 ( -7.952 0.000 0.000) 7.952 5.781 ( 4.369 0.000 0.000) 4.369 5.841 ( 3.715 0.000 0.000) 3.715 5.993 ( -0.980 0.000 0.000) 0.980 6.107 ( 11.173 0.000 0.000) 11.173 6.204 ( -7.022 0.000 0.000) 7.022 6.325 ( -2.046 0.000 0.000) 2.046 6.707 ( 3.814 0.000 0.000) 3.814 7.019 ( -5.195 0.000 0.000) 5.195 7.228 ( 8.204 0.000 0.000) 8.204 7.424 ( 1.087 0.000 0.000) 1.087 7.480 ( -0.441 0.000 0.000) 0.441 7.554 ( -4.330 0.000 0.000) 4.330 7.611 ( 9.885 0.000 0.000) 9.885 8.176 ( -11.869 0.000 0.000) 11.869 8.301 ( 1.800 0.000 0.000) 1.800 8.387 ( 0.231 0.000 0.000) 0.231 8.474 ( -0.979 0.000 0.000) 0.979 8.580 ( -2.348 0.000 0.000) 2.348 8.780 ( 7.329 0.000 0.000) 7.329 8.852 ( 10.509 0.000 0.000) 10.509 9.010 ( -2.425 0.000 0.000) 2.425 9.325 ( -0.105 0.000 0.000) 0.105 9.345 ( -0.792 0.000 0.000) 0.792 9.446 ( -11.351 0.000 0.000) 11.351 10.788 ( 2.065 0.000 0.000) 2.065 10.951 ( -4.306 0.000 0.000) 4.306 10.994 ( 3.049 0.000 0.000) 3.049 11.185 ( -4.178 0.000 0.000) 4.178 11.591 ( 7.005 0.000 0.000) 7.005 11.715 ( 3.906 0.000 0.000) 3.906 11.938 ( -5.921 0.000 0.000) 5.921 11.964 ( -8.010 0.000 0.000) 8.010 12.322 ( 7.465 0.000 0.000) 7.465 12.437 ( 1.025 0.000 0.000) 1.025 12.450 ( 6.737 0.000 0.000) 6.737 12.703 ( -3.424 0.000 0.000) 3.424 12.886 ( -0.212 0.000 0.000) 0.212 13.006 ( -3.857 0.000 0.000) 3.857 13.672 ( 1.620 0.000 0.000) 1.620 13.757 ( -1.398 0.000 0.000) 1.398 16.115 ( 0.085 0.000 0.000) 0.085 16.122 ( -0.152 0.000 0.000) 0.152 18.647 ( 0.431 0.000 0.000) 0.431 18.672 ( -0.457 0.000 0.000) 0.457 18.704 ( 0.229 0.000 0.000) 0.229 18.716 ( -0.194 0.000 0.000) 0.194 20.509 ( 1.559 0.000 0.000) 1.559 20.606 ( -1.967 0.000 0.000) 1.967 21.245 ( 5.493 0.000 0.000) 5.493 21.632 ( -9.986 0.000 0.000) 9.986 22.208 ( 8.061 0.000 0.000) 8.061 22.547 ( -6.477 0.000 0.000) 6.477 22.809 ( 3.249 0.000 0.000) 3.249 22.919 ( -2.046 0.000 0.000) 2.046 23.102 ( 5.438 0.000 0.000) 5.438 23.330 ( -3.218 0.000 0.000) 3.218 24.592 ( 0.104 0.000 0.000) 0.104 24.601 ( -0.185 0.000 0.000) 0.185 ======================= Grid point 2 (3/90) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( -22.699 0.000 0.000) 22.699 1.223 ( 22.699 0.000 0.000) 22.699 1.313 ( -25.777 0.000 0.000) 25.777 1.313 ( 25.777 0.000 0.000) 25.777 2.472 ( -48.754 0.000 0.000) 48.754 2.472 ( 48.754 0.000 0.000) 48.754 2.677 ( -7.730 0.000 0.000) 7.730 2.677 ( 7.730 0.000 0.000) 7.730 3.334 ( -0.744 0.000 0.000) 0.744 3.334 ( 0.744 0.000 0.000) 0.744 3.351 ( -6.592 0.000 0.000) 6.592 3.351 ( 6.592 0.000 0.000) 6.592 3.749 ( -9.006 0.000 0.000) 9.006 3.749 ( 9.006 0.000 0.000) 9.006 4.139 ( -7.092 0.000 0.000) 7.092 4.139 ( 7.092 0.000 0.000) 7.092 4.399 ( -10.195 0.000 0.000) 10.195 4.399 ( 10.195 0.000 0.000) 10.195 4.839 ( -7.841 0.000 0.000) 7.841 4.839 ( 7.841 0.000 0.000) 7.841 4.949 ( -0.578 0.000 0.000) 0.578 4.949 ( 0.578 0.000 0.000) 0.578 5.087 ( -7.544 0.000 0.000) 7.544 5.087 ( 7.544 0.000 0.000) 7.544 5.271 ( -3.277 0.000 0.000) 3.277 5.271 ( 3.277 0.000 0.000) 3.277 5.868 ( -2.590 0.000 0.000) 2.590 5.868 ( 2.590 0.000 0.000) 2.590 6.040 ( -6.352 0.000 0.000) 6.352 6.040 ( 6.352 0.000 0.000) 6.352 6.263 ( -3.849 0.000 0.000) 3.849 6.263 ( 3.849 0.000 0.000) 3.849 6.860 ( -8.477 0.000 0.000) 8.477 6.860 ( 8.477 0.000 0.000) 8.477 7.417 ( -7.851 0.000 0.000) 7.851 7.417 ( 7.851 0.000 0.000) 7.851 7.454 ( -1.504 0.000 0.000) 1.504 7.454 ( 1.504 0.000 0.000) 1.504 7.886 ( -13.576 0.000 0.000) 13.576 7.886 ( 13.576 0.000 0.000) 13.576 8.352 ( -2.515 0.000 0.000) 2.515 8.352 ( 2.515 0.000 0.000) 2.515 8.512 ( -3.302 0.000 0.000) 3.302 8.512 ( 3.302 0.000 0.000) 3.302 8.925 ( -5.288 0.000 0.000) 5.288 8.925 ( 5.288 0.000 0.000) 5.288 9.141 ( -14.676 0.000 0.000) 14.676 9.141 ( 14.676 0.000 0.000) 14.676 9.329 ( -0.503 0.000 0.000) 0.503 9.329 ( 0.503 0.000 0.000) 0.503 10.855 ( -3.897 0.000 0.000) 3.897 10.855 ( 3.897 0.000 0.000) 3.897 11.082 ( -4.663 0.000 0.000) 4.663 11.082 ( 4.663 0.000 0.000) 4.663 11.773 ( -8.827 0.000 0.000) 8.827 11.773 ( 8.827 0.000 0.000) 8.827 11.817 ( -5.048 0.000 0.000) 5.048 11.817 ( 5.048 0.000 0.000) 5.048 12.436 ( -2.168 0.000 0.000) 2.168 12.436 ( 2.168 0.000 0.000) 2.168 12.596 ( -6.001 0.000 0.000) 6.001 12.596 ( 6.001 0.000 0.000) 6.001 12.916 ( -3.268 0.000 0.000) 3.268 12.916 ( 3.268 0.000 0.000) 3.268 13.716 ( -2.113 0.000 0.000) 2.113 13.716 ( 2.113 0.000 0.000) 2.113 16.118 ( -0.176 0.000 0.000) 0.176 16.118 ( 0.176 0.000 0.000) 0.176 18.659 ( -0.617 0.000 0.000) 0.617 18.659 ( 0.617 0.000 0.000) 0.617 18.710 ( -0.288 0.000 0.000) 0.288 18.710 ( 0.288 0.000 0.000) 0.288 20.555 ( -2.407 0.000 0.000) 2.407 20.555 ( 2.407 0.000 0.000) 2.407 21.412 ( -9.191 0.000 0.000) 9.191 21.412 ( 9.191 0.000 0.000) 9.191 22.386 ( -7.799 0.000 0.000) 7.799 22.386 ( 7.799 0.000 0.000) 7.799 22.872 ( -2.385 0.000 0.000) 2.385 22.872 ( 2.385 0.000 0.000) 2.385 23.230 ( -5.576 0.000 0.000) 5.576 23.230 ( 5.576 0.000 0.000) 5.576 24.596 ( -0.208 0.000 0.000) 0.208 24.596 ( 0.208 0.000 0.000) 0.208 ======================= Grid point 5 (4/90) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.518 ( 0.000 27.140 0.000) 27.140 0.590 ( 0.000 29.608 0.000) 29.608 1.005 ( 0.000 49.298 0.000) 49.298 2.034 ( 0.000 21.146 0.000) 21.146 2.096 ( 0.000 4.972 0.000) 4.972 2.485 ( 0.000 4.001 0.000) 4.001 2.961 ( 0.000 -4.312 0.000) 4.312 3.126 ( 0.000 -1.205 0.000) 1.205 3.205 ( 0.000 -7.856 0.000) 7.856 3.276 ( 0.000 5.057 0.000) 5.057 3.491 ( 0.000 6.630 0.000) 6.630 3.569 ( 0.000 3.399 0.000) 3.399 3.611 ( 0.000 -8.521 0.000) 8.521 3.878 ( 0.000 -4.162 0.000) 4.162 4.131 ( 0.000 0.740 0.000) 0.740 4.216 ( 0.000 9.348 0.000) 9.348 4.466 ( 0.000 -2.643 0.000) 2.643 4.694 ( 0.000 -3.036 0.000) 3.036 4.798 ( 0.000 -8.538 0.000) 8.538 4.827 ( 0.000 -3.553 0.000) 3.553 4.843 ( 0.000 -1.631 0.000) 1.631 4.879 ( 0.000 8.575 0.000) 8.575 5.101 ( 0.000 8.764 0.000) 8.764 5.132 ( 0.000 -5.523 0.000) 5.523 5.392 ( 0.000 -11.495 0.000) 11.495 5.413 ( 0.000 7.218 0.000) 7.218 5.822 ( 0.000 7.121 0.000) 7.121 5.847 ( 0.000 4.792 0.000) 4.792 5.886 ( 0.000 0.348 0.000) 0.348 6.127 ( 0.000 10.786 0.000) 10.786 6.371 ( 0.000 2.300 0.000) 2.300 6.379 ( 0.000 5.778 0.000) 5.778 6.670 ( 0.000 0.323 0.000) 0.323 6.895 ( 0.000 -0.834 0.000) 0.834 7.063 ( 0.000 -4.325 0.000) 4.325 7.518 ( 0.000 -0.408 0.000) 0.408 7.539 ( 0.000 -5.206 0.000) 5.206 7.572 ( 0.000 10.240 0.000) 10.240 7.707 ( 0.000 0.365 0.000) 0.365 7.932 ( 0.000 -9.565 0.000) 9.565 8.329 ( 0.000 -5.095 0.000) 5.095 8.414 ( 0.000 5.038 0.000) 5.038 8.457 ( 0.000 -4.345 0.000) 4.345 8.519 ( 0.000 -7.973 0.000) 7.973 8.573 ( 0.000 -10.769 0.000) 10.769 8.883 ( 0.000 -2.672 0.000) 2.672 8.928 ( 0.000 1.274 0.000) 1.274 9.126 ( 0.000 2.636 0.000) 2.636 9.348 ( 0.000 2.434 0.000) 2.434 9.913 ( 0.000 3.849 0.000) 3.849 10.835 ( 0.000 5.906 0.000) 5.906 10.866 ( 0.000 -8.814 0.000) 8.814 11.003 ( 0.000 4.374 0.000) 4.374 11.195 ( 0.000 6.920 0.000) 6.920 11.264 ( 0.000 2.420 0.000) 2.420 11.554 ( 0.000 -10.543 0.000) 10.543 12.032 ( 0.000 -1.312 0.000) 1.312 12.032 ( 0.000 -2.622 0.000) 2.622 12.286 ( 0.000 -5.986 0.000) 5.986 12.359 ( 0.000 0.987 0.000) 0.987 12.466 ( 0.000 2.886 0.000) 2.886 12.807 ( 0.000 5.757 0.000) 5.757 12.980 ( 0.000 -7.190 0.000) 7.190 13.600 ( 0.000 -6.123 0.000) 6.123 13.777 ( 0.000 11.912 0.000) 11.912 13.897 ( 0.000 8.480 0.000) 8.480 15.239 ( 0.000 -5.858 0.000) 5.858 15.975 ( 0.000 -13.772 0.000) 13.772 18.765 ( 0.000 8.674 0.000) 8.674 18.801 ( 0.000 8.175 0.000) 8.175 18.809 ( 0.000 15.185 0.000) 15.185 20.436 ( 0.000 -5.495 0.000) 5.495 20.610 ( 0.000 -1.914 0.000) 1.914 21.143 ( 0.000 -3.893 0.000) 3.893 21.262 ( 0.000 0.985 0.000) 0.985 21.500 ( 0.000 -1.338 0.000) 1.338 22.096 ( 0.000 1.186 0.000) 1.186 22.289 ( 0.000 -0.653 0.000) 0.653 22.644 ( 0.000 0.289 0.000) 0.289 22.741 ( 0.000 -1.019 0.000) 1.019 23.026 ( 0.000 0.274 0.000) 0.274 23.117 ( 0.000 -0.495 0.000) 0.495 23.387 ( 0.000 2.132 0.000) 2.132 24.501 ( 0.000 -8.730 0.000) 8.730 ======================= Grid point 6 (5/90) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( 23.349 15.507 0.000) 28.029 0.883 ( 22.478 18.894 0.000) 29.364 1.583 ( 36.009 27.610 0.000) 45.375 1.839 ( -15.532 17.671 0.000) 23.527 1.902 ( -11.118 7.656 0.000) 13.499 2.579 ( 6.614 6.018 0.000) 8.942 2.891 ( -5.701 1.919 0.000) 6.015 3.196 ( 4.616 -4.342 0.000) 6.338 3.222 ( 1.232 -7.582 0.000) 7.681 3.326 ( 4.517 5.363 0.000) 7.012 3.340 ( -20.335 -3.010 0.000) 20.557 3.547 ( 4.893 2.213 0.000) 5.370 3.609 ( -6.965 10.024 0.000) 12.206 3.828 ( -1.713 -6.250 0.000) 6.481 4.059 ( -6.055 2.836 0.000) 6.687 4.163 ( 1.469 -1.384 0.000) 2.019 4.458 ( -7.847 7.155 0.000) 10.620 4.506 ( 0.998 -2.100 0.000) 2.325 4.773 ( 1.163 -5.321 0.000) 5.446 4.812 ( -1.432 -1.205 0.000) 1.871 4.884 ( 0.652 4.551 0.000) 4.598 4.927 ( -0.296 -6.689 0.000) 6.696 5.106 ( 1.620 -6.550 0.000) 6.747 5.212 ( 3.181 11.627 0.000) 12.054 5.272 ( -6.686 -8.904 0.000) 11.135 5.364 ( -3.955 8.870 0.000) 9.712 5.857 ( 3.437 6.655 0.000) 7.490 5.888 ( 3.088 4.451 0.000) 5.417 6.054 ( 7.714 -2.672 0.000) 8.164 6.104 ( -1.434 9.834 0.000) 9.938 6.337 ( -2.870 9.762 0.000) 10.176 6.340 ( -1.838 2.620 0.000) 3.201 6.675 ( 2.283 -2.452 0.000) 3.351 6.902 ( -1.994 -6.020 0.000) 6.341 7.167 ( 8.079 -4.941 0.000) 9.470 7.480 ( -3.820 -4.067 0.000) 5.579 7.508 ( -0.721 0.648 0.000) 0.969 7.553 ( -5.121 3.332 0.000) 6.109 7.684 ( 8.831 7.541 0.000) 11.612 8.064 ( 0.032 -9.608 0.000) 9.608 8.281 ( -4.750 -1.250 0.000) 4.912 8.328 ( -0.829 -6.230 0.000) 6.285 8.448 ( 0.845 -1.968 0.000) 2.141 8.550 ( -0.059 -0.715 0.000) 0.717 8.651 ( 5.659 -12.559 0.000) 13.775 8.812 ( -1.011 0.147 0.000) 1.021 9.064 ( 3.176 -10.552 0.000) 11.020 9.117 ( -0.845 0.999 0.000) 1.308 9.373 ( 2.580 5.683 0.000) 6.242 9.708 ( -11.725 11.288 0.000) 16.276 10.865 ( 2.583 6.306 0.000) 6.815 11.009 ( -0.052 -0.172 0.000) 0.179 11.034 ( 2.998 3.279 0.000) 4.443 11.212 ( -3.996 2.554 0.000) 4.743 11.311 ( 10.857 -9.388 0.000) 14.353 11.564 ( -0.040 -12.374 0.000) 12.374 11.990 ( -2.456 1.361 0.000) 2.808 12.036 ( -2.034 1.483 0.000) 2.517 12.291 ( 3.482 -4.155 0.000) 5.421 12.400 ( 2.201 -0.384 0.000) 2.234 12.511 ( 3.884 2.372 0.000) 4.551 12.724 ( -5.933 4.300 0.000) 7.327 12.943 ( -2.571 -6.155 0.000) 6.671 13.145 ( -17.314 12.246 0.000) 21.207 13.788 ( 0.862 11.166 0.000) 11.199 13.831 ( -1.106 8.024 0.000) 8.099 15.689 ( 16.370 -25.287 0.000) 30.123 15.958 ( -1.582 -14.867 0.000) 14.951 18.763 ( -0.181 8.532 0.000) 8.534 18.773 ( -0.927 9.067 0.000) 9.114 18.871 ( 4.106 16.726 0.000) 17.223 19.491 ( -40.811 47.244 0.000) 62.430 20.500 ( 0.823 -0.009 0.000) 0.823 20.587 ( -1.884 -1.798 0.000) 2.604 21.208 ( 5.623 -3.738 0.000) 6.753 21.597 ( -9.495 -3.416 0.000) 10.091 22.217 ( 7.968 0.925 0.000) 8.022 22.551 ( -6.330 0.461 0.000) 6.347 22.796 ( 3.010 -1.277 0.000) 3.270 22.872 ( 0.946 -5.104 0.000) 5.190 23.105 ( 5.754 0.362 0.000) 5.765 23.348 ( -3.455 1.843 0.000) 3.916 23.962 ( 35.947 -40.457 0.000) 54.119 24.477 ( -2.380 -10.966 0.000) 11.221 ======================= Grid point 7 (6/90) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( -14.972 8.675 0.000) 17.304 1.381 ( 14.972 8.675 0.000) 17.304 1.412 ( -14.076 14.643 0.000) 20.312 1.412 ( 14.076 14.643 0.000) 20.312 2.591 ( -38.805 12.696 0.000) 40.829 2.591 ( 38.805 12.696 0.000) 40.829 2.749 ( -4.311 5.678 0.000) 7.129 2.749 ( 4.311 5.678 0.000) 7.129 3.249 ( -0.180 -7.744 0.000) 7.746 3.249 ( 0.180 -7.744 0.000) 7.746 3.452 ( -6.485 8.996 0.000) 11.090 3.452 ( 6.485 8.996 0.000) 11.090 3.701 ( -8.112 -3.873 0.000) 8.989 3.701 ( 8.112 -3.873 0.000) 8.989 4.103 ( -5.767 -2.639 0.000) 6.342 4.103 ( 5.767 -2.639 0.000) 6.342 4.452 ( -4.493 4.483 0.000) 6.347 4.452 ( 4.493 4.483 0.000) 6.347 4.796 ( -0.475 -7.386 0.000) 7.401 4.796 ( 0.475 -7.386 0.000) 7.401 4.901 ( -1.125 1.536 0.000) 1.904 4.901 ( 1.125 1.536 0.000) 1.904 5.160 ( -3.411 -8.407 0.000) 9.073 5.160 ( 3.411 -8.407 0.000) 9.073 5.278 ( -3.364 12.601 0.000) 13.043 5.278 ( 3.364 12.601 0.000) 13.043 5.924 ( -1.281 5.165 0.000) 5.321 5.924 ( 1.281 5.165 0.000) 5.321 6.100 ( -1.379 3.894 0.000) 4.131 6.100 ( 1.379 3.894 0.000) 4.131 6.309 ( -0.585 6.286 0.000) 6.313 6.309 ( 0.585 6.286 0.000) 6.313 6.794 ( -6.814 -5.185 0.000) 8.562 6.794 ( 6.814 -5.185 0.000) 8.562 7.357 ( -7.881 -5.632 0.000) 9.686 7.357 ( 7.881 -5.632 0.000) 9.686 7.497 ( -0.171 2.299 0.000) 2.305 7.497 ( 0.171 2.299 0.000) 2.305 7.908 ( -10.411 2.007 0.000) 10.603 7.908 ( 10.411 2.007 0.000) 10.603 8.285 ( -2.395 -6.465 0.000) 6.895 8.285 ( 2.395 -6.465 0.000) 6.895 8.505 ( -3.279 -0.337 0.000) 3.297 8.505 ( 3.279 -0.337 0.000) 3.297 8.771 ( -3.938 -10.380 0.000) 11.102 8.771 ( 3.938 -10.380 0.000) 11.102 9.095 ( -0.899 -4.738 0.000) 4.823 9.095 ( 0.899 -4.738 0.000) 4.823 9.483 ( -7.765 11.324 0.000) 13.730 9.483 ( 7.765 11.324 0.000) 13.730 10.942 ( -4.051 6.306 0.000) 7.495 10.942 ( 4.051 6.306 0.000) 7.495 11.116 ( -4.301 3.148 0.000) 5.330 11.116 ( 4.301 3.148 0.000) 5.330 11.507 ( -5.738 -14.336 0.000) 15.442 11.507 ( 5.738 -14.336 0.000) 15.442 11.975 ( -1.584 5.066 0.000) 5.308 11.975 ( 1.584 5.066 0.000) 5.308 12.399 ( -3.263 -2.620 0.000) 4.185 12.399 ( 3.263 -2.620 0.000) 4.185 12.607 ( -4.475 0.616 0.000) 4.517 12.607 ( 4.475 0.616 0.000) 4.517 12.935 ( -3.616 1.029 0.000) 3.760 12.935 ( 3.616 1.029 0.000) 3.760 13.810 ( -0.985 9.346 0.000) 9.398 13.810 ( 0.985 9.346 0.000) 9.398 15.894 ( -4.744 -18.744 0.000) 19.335 15.894 ( 4.744 -18.744 0.000) 19.335 18.761 ( -0.158 8.422 0.000) 8.423 18.761 ( 0.158 8.422 0.000) 8.423 19.016 ( -10.362 26.606 0.000) 28.552 19.016 ( 10.362 26.606 0.000) 28.552 20.538 ( -2.230 -1.392 0.000) 2.629 20.538 ( 2.230 -1.392 0.000) 2.629 21.378 ( -9.342 -3.399 0.000) 9.941 21.378 ( 9.342 -3.399 0.000) 9.941 22.393 ( -7.696 0.777 0.000) 7.735 22.393 ( 7.696 0.777 0.000) 7.735 22.851 ( -1.875 -2.121 0.000) 2.831 22.851 ( 1.875 -2.121 0.000) 2.831 23.241 ( -5.936 1.128 0.000) 6.042 23.241 ( 5.936 1.128 0.000) 6.042 24.372 ( -8.336 -19.707 0.000) 21.398 24.372 ( 8.336 -19.707 0.000) 21.398 ======================= Grid point 10 (7/90) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( 0.000 28.508 0.000) 28.508 1.161 ( 0.000 28.113 0.000) 28.113 1.884 ( 0.000 35.908 0.000) 35.908 2.266 ( 0.000 14.493 0.000) 14.493 2.509 ( 0.000 24.147 0.000) 24.147 2.581 ( 0.000 4.680 0.000) 4.680 2.854 ( 0.000 -6.287 0.000) 6.287 2.989 ( 0.000 -9.622 0.000) 9.622 2.997 ( 0.000 -12.467 0.000) 12.467 3.414 ( 0.000 -10.469 0.000) 10.469 3.501 ( 0.000 14.615 0.000) 14.615 3.551 ( 0.000 -4.737 0.000) 4.737 3.629 ( 0.000 6.276 0.000) 6.276 3.928 ( 0.000 7.735 0.000) 7.735 4.177 ( 0.000 4.276 0.000) 4.276 4.399 ( 0.000 9.508 0.000) 9.508 4.466 ( 0.000 1.581 0.000) 1.581 4.575 ( 0.000 -12.698 0.000) 12.698 4.613 ( 0.000 -4.963 0.000) 4.963 4.670 ( 0.000 -14.096 0.000) 14.096 4.699 ( 0.000 -6.733 0.000) 6.733 5.013 ( 0.000 -6.928 0.000) 6.928 5.014 ( 0.000 2.933 0.000) 2.933 5.170 ( 0.000 -10.403 0.000) 10.403 5.430 ( 0.000 21.396 0.000) 21.396 5.585 ( 0.000 8.838 0.000) 8.838 5.948 ( 0.000 6.739 0.000) 6.739 5.967 ( 0.000 6.781 0.000) 6.781 5.972 ( 0.000 7.448 0.000) 7.448 6.381 ( 0.000 14.029 0.000) 14.029 6.403 ( 0.000 -3.142 0.000) 3.142 6.450 ( 0.000 6.151 0.000) 6.151 6.761 ( 0.000 8.133 0.000) 8.133 6.883 ( 0.000 0.050 0.000) 0.050 6.987 ( 0.000 -2.942 0.000) 2.942 7.395 ( 0.000 -9.110 0.000) 9.110 7.501 ( 0.000 -1.356 0.000) 1.356 7.694 ( 0.000 -2.747 0.000) 2.747 7.702 ( 0.000 -13.407 0.000) 13.407 7.800 ( 0.000 11.403 0.000) 11.403 8.166 ( 0.000 -10.210 0.000) 10.210 8.337 ( 0.000 -9.006 0.000) 9.006 8.373 ( 0.000 -8.560 0.000) 8.560 8.381 ( 0.000 -2.989 0.000) 2.989 8.476 ( 0.000 0.086 0.000) 0.086 8.836 ( 0.000 -1.003 0.000) 1.003 8.944 ( 0.000 0.265 0.000) 0.265 9.022 ( 0.000 -10.538 0.000) 10.538 9.528 ( 0.000 13.433 0.000) 13.433 10.020 ( 0.000 6.830 0.000) 6.830 10.689 ( 0.000 -9.022 0.000) 9.022 10.888 ( 0.000 -5.050 0.000) 5.050 11.119 ( 0.000 7.022 0.000) 7.022 11.316 ( 0.000 5.196 0.000) 5.196 11.322 ( 0.000 3.152 0.000) 3.152 11.354 ( 0.000 -5.302 0.000) 5.302 11.996 ( 0.000 -2.214 0.000) 2.214 12.017 ( 0.000 1.324 0.000) 1.324 12.149 ( 0.000 -7.382 0.000) 7.382 12.387 ( 0.000 1.706 0.000) 1.706 12.505 ( 0.000 1.022 0.000) 1.022 12.787 ( 0.000 -11.678 0.000) 11.678 12.940 ( 0.000 7.304 0.000) 7.304 13.480 ( 0.000 -6.058 0.000) 6.058 14.084 ( 0.000 18.184 0.000) 18.184 14.086 ( 0.000 10.627 0.000) 10.627 15.076 ( 0.000 -10.395 0.000) 10.395 15.642 ( 0.000 -18.752 0.000) 18.752 19.004 ( 0.000 15.000 0.000) 15.000 19.018 ( 0.000 12.980 0.000) 12.980 19.153 ( 0.000 17.560 0.000) 17.560 20.276 ( 0.000 -10.718 0.000) 10.718 20.564 ( 0.000 -2.228 0.000) 2.228 21.029 ( 0.000 -7.570 0.000) 7.570 21.290 ( 0.000 1.751 0.000) 1.751 21.465 ( 0.000 -2.079 0.000) 2.079 22.127 ( 0.000 1.862 0.000) 1.862 22.270 ( 0.000 -1.222 0.000) 1.222 22.652 ( 0.000 0.500 0.000) 0.500 22.717 ( 0.000 -1.293 0.000) 1.293 23.034 ( 0.000 0.549 0.000) 0.549 23.104 ( 0.000 -0.857 0.000) 0.857 23.453 ( 0.000 4.616 0.000) 4.616 24.274 ( 0.000 -13.477 0.000) 13.477 ======================= Grid point 11 (8/90) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( 14.356 23.439 0.000) 27.486 1.304 ( 13.836 22.913 0.000) 26.767 1.987 ( -9.356 12.395 0.000) 15.530 2.192 ( -19.174 15.714 0.000) 24.790 2.319 ( 20.631 30.104 0.000) 36.495 2.739 ( 5.907 7.458 0.000) 9.514 2.877 ( 0.999 -2.861 0.000) 3.030 3.020 ( 1.068 -11.385 0.000) 11.435 3.035 ( 2.775 -9.532 0.000) 9.928 3.284 ( -8.147 -2.631 0.000) 8.561 3.516 ( 2.334 11.871 0.000) 12.098 3.632 ( 0.547 5.988 0.000) 6.013 3.690 ( 5.828 -4.544 0.000) 7.390 3.830 ( -7.363 9.426 0.000) 11.961 4.176 ( -7.701 6.145 0.000) 9.852 4.176 ( -8.042 6.330 0.000) 10.234 4.488 ( -1.554 -3.898 0.000) 4.196 4.515 ( 2.809 1.783 0.000) 3.327 4.650 ( -0.935 -9.205 0.000) 9.253 4.677 ( -2.409 -7.771 0.000) 8.136 4.732 ( 5.414 -10.389 0.000) 11.715 4.984 ( -3.413 0.552 0.000) 3.457 4.998 ( -0.074 -5.286 0.000) 5.287 5.090 ( -4.582 -7.825 0.000) 9.068 5.479 ( 2.890 15.998 0.000) 16.257 5.568 ( -1.544 10.312 0.000) 10.427 5.999 ( 2.176 3.809 0.000) 4.387 6.002 ( 2.004 6.193 0.000) 6.509 6.055 ( 7.088 6.472 0.000) 9.598 6.330 ( -4.529 12.529 0.000) 13.322 6.457 ( 1.365 9.335 0.000) 9.434 6.474 ( 5.928 1.477 0.000) 6.110 6.694 ( -4.592 6.972 0.000) 8.348 6.831 ( -4.431 -1.331 0.000) 4.627 7.065 ( 6.170 -4.912 0.000) 7.887 7.336 ( -4.442 -9.344 0.000) 10.346 7.489 ( -0.684 -2.119 0.000) 2.227 7.548 ( -4.462 -4.774 0.000) 6.534 7.853 ( 3.911 7.244 0.000) 8.232 7.873 ( 5.812 -9.728 0.000) 11.332 8.153 ( -1.202 -10.023 0.000) 10.095 8.218 ( -6.216 -4.253 0.000) 7.532 8.417 ( 3.772 -0.736 0.000) 3.844 8.436 ( 5.065 -8.699 0.000) 10.066 8.553 ( 1.992 -1.467 0.000) 2.474 8.759 ( -6.355 -2.882 0.000) 6.977 8.946 ( 0.522 -2.663 0.000) 2.714 9.010 ( -1.093 -9.353 0.000) 9.417 9.577 ( 4.397 13.279 0.000) 13.988 9.903 ( -8.317 9.639 0.000) 12.731 10.823 ( 7.848 -13.090 0.000) 15.262 10.908 ( 1.519 -6.516 0.000) 6.691 11.139 ( 1.848 6.458 0.000) 6.717 11.273 ( -3.272 3.447 0.000) 4.753 11.331 ( 1.174 4.945 0.000) 5.083 11.367 ( 0.213 -3.563 0.000) 3.570 12.014 ( -0.115 1.619 0.000) 1.623 12.020 ( 0.901 -2.068 0.000) 2.256 12.184 ( 4.405 -6.002 0.000) 7.445 12.424 ( 1.570 2.483 0.000) 2.938 12.519 ( 1.377 -1.836 0.000) 2.295 12.788 ( 1.784 -8.517 0.000) 8.701 12.835 ( -8.553 6.323 0.000) 10.636 13.240 ( -16.238 -0.530 0.000) 16.246 14.053 ( -0.566 13.391 0.000) 13.403 14.079 ( -0.478 17.403 0.000) 17.409 15.281 ( 12.465 -17.554 0.000) 21.530 15.610 ( -3.021 -19.191 0.000) 19.427 18.996 ( -0.575 14.622 0.000) 14.633 18.996 ( -1.055 13.311 0.000) 13.353 19.248 ( 7.926 18.440 0.000) 20.071 20.025 ( -25.340 5.879 0.000) 26.013 20.548 ( -1.239 -1.518 0.000) 1.959 20.612 ( -13.891 13.641 0.000) 19.469 21.098 ( 5.944 -7.370 0.000) 9.469 21.500 ( -8.923 -6.316 0.000) 10.933 22.246 ( 7.999 2.026 0.000) 8.251 22.567 ( -5.715 1.259 0.000) 5.852 22.714 ( 10.629 -10.100 0.000) 14.663 22.761 ( 2.085 -2.228 0.000) 3.051 23.117 ( 6.480 0.863 0.000) 6.537 23.405 ( -4.245 3.957 0.000) 5.804 23.422 ( 28.394 -15.247 0.000) 32.228 24.205 ( -6.506 -15.352 0.000) 16.674 ======================= Grid point 12 (9/90) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( -16.911 15.911 0.000) 23.219 1.624 ( 16.911 15.911 0.000) 23.219 1.728 ( -20.120 16.030 0.000) 25.725 1.728 ( 20.120 16.030 0.000) 25.725 2.812 ( -4.764 -0.941 0.000) 4.856 2.812 ( 4.764 -0.941 0.000) 4.856 2.923 ( -12.908 9.483 0.000) 16.017 2.923 ( 12.908 9.483 0.000) 16.017 3.084 ( -3.345 0.454 0.000) 3.375 3.084 ( 3.345 0.454 0.000) 3.375 3.635 ( -7.934 3.337 0.000) 8.607 3.635 ( 7.934 3.337 0.000) 8.607 3.679 ( -4.402 7.769 0.000) 8.929 3.679 ( 4.402 7.769 0.000) 8.929 4.085 ( -4.682 1.952 0.000) 5.072 4.085 ( 4.682 1.952 0.000) 5.072 4.526 ( -2.635 2.000 0.000) 3.308 4.526 ( 2.635 2.000 0.000) 3.308 4.633 ( -0.113 -8.757 0.000) 8.758 4.633 ( 0.113 -8.757 0.000) 8.758 4.862 ( -6.365 -6.698 0.000) 9.240 4.862 ( 6.365 -6.698 0.000) 9.240 5.023 ( -1.986 -4.615 0.000) 5.024 5.023 ( 1.986 -4.615 0.000) 5.024 5.530 ( -1.847 12.400 0.000) 12.537 5.530 ( 1.847 12.400 0.000) 12.537 6.028 ( -0.068 3.183 0.000) 3.184 6.028 ( 0.068 3.183 0.000) 3.184 6.204 ( -6.310 9.373 0.000) 11.299 6.204 ( 6.310 9.373 0.000) 11.299 6.520 ( -3.441 13.670 0.000) 14.097 6.520 ( 3.441 13.670 0.000) 14.097 6.702 ( -6.332 -3.564 0.000) 7.265 6.702 ( 6.332 -3.564 0.000) 7.265 7.215 ( -6.516 -8.169 0.000) 10.450 7.215 ( 6.516 -8.169 0.000) 10.450 7.489 ( -1.043 -3.314 0.000) 3.474 7.489 ( 1.043 -3.314 0.000) 3.474 7.926 ( -1.365 -2.569 0.000) 2.909 7.926 ( 1.365 -2.569 0.000) 2.909 8.134 ( -0.680 -6.545 0.000) 6.580 8.134 ( 0.680 -6.545 0.000) 6.580 8.518 ( -4.289 0.885 0.000) 4.379 8.518 ( 4.289 0.885 0.000) 4.379 8.589 ( -8.112 -7.040 0.000) 10.741 8.589 ( 8.112 -7.040 0.000) 10.741 8.976 ( -1.853 -6.698 0.000) 6.950 8.976 ( 1.853 -6.698 0.000) 6.950 9.716 ( -7.849 12.349 0.000) 14.632 9.716 ( 7.849 12.349 0.000) 14.632 10.924 ( -1.116 -11.118 0.000) 11.174 10.924 ( 1.116 -11.118 0.000) 11.174 11.198 ( -3.258 5.191 0.000) 6.129 11.198 ( 3.258 5.191 0.000) 6.129 11.358 ( -0.997 0.878 0.000) 1.329 11.358 ( 0.997 0.878 0.000) 1.329 12.018 ( -0.473 0.343 0.000) 0.584 12.018 ( 0.473 0.343 0.000) 0.584 12.340 ( -7.787 -3.929 0.000) 8.722 12.340 ( 7.787 -3.929 0.000) 8.722 12.631 ( -8.256 2.407 0.000) 8.600 12.631 ( 8.256 2.407 0.000) 8.600 12.930 ( -10.774 -1.618 0.000) 10.895 12.930 ( 10.774 -1.618 0.000) 10.895 14.063 ( -0.866 15.496 0.000) 15.520 14.063 ( 0.866 15.496 0.000) 15.520 15.501 ( -7.135 -19.912 0.000) 21.151 15.501 ( 7.135 -19.912 0.000) 21.151 18.986 ( -0.125 13.864 0.000) 13.865 18.986 ( 0.125 13.864 0.000) 13.865 19.514 ( -17.119 19.821 0.000) 26.190 19.514 ( 17.119 19.821 0.000) 26.190 20.526 ( -0.248 1.360 0.000) 1.383 20.526 ( 0.248 1.360 0.000) 1.383 21.277 ( -9.790 -6.842 0.000) 11.944 21.277 ( 9.790 -6.842 0.000) 11.944 22.420 ( -7.420 2.061 0.000) 7.701 22.420 ( 7.420 2.061 0.000) 7.701 22.788 ( -0.042 -4.302 0.000) 4.302 22.788 ( 0.042 -4.302 0.000) 4.302 23.275 ( -7.066 2.368 0.000) 7.452 23.275 ( 7.066 2.368 0.000) 7.452 23.956 ( -17.036 -19.884 0.000) 26.184 23.956 ( 17.036 -19.884 0.000) 26.184 ======================= Grid point 15 (10/90) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( 0.000 27.302 0.000) 27.302 1.691 ( 0.000 25.318 0.000) 25.318 2.269 ( 0.000 8.229 0.000) 8.229 2.530 ( 0.000 -14.235 0.000) 14.235 2.550 ( 0.000 -2.919 0.000) 2.919 2.715 ( 0.000 -7.766 0.000) 7.766 2.848 ( 0.000 1.720 0.000) 1.720 2.901 ( 0.000 13.418 0.000) 13.418 3.018 ( 0.000 24.127 0.000) 24.127 3.237 ( 0.000 -5.656 0.000) 5.656 3.435 ( 0.000 -6.644 0.000) 6.644 3.709 ( 0.000 1.037 0.000) 1.037 3.786 ( 0.000 13.121 0.000) 13.121 4.096 ( 0.000 8.502 0.000) 8.502 4.254 ( 0.000 -3.810 0.000) 3.810 4.348 ( 0.000 -9.114 0.000) 9.114 4.348 ( 0.000 -12.528 0.000) 12.528 4.429 ( 0.000 -6.886 0.000) 6.886 4.533 ( 0.000 -0.778 0.000) 0.778 4.599 ( 0.000 10.398 0.000) 10.398 4.659 ( 0.000 3.849 0.000) 3.849 4.848 ( 0.000 -9.666 0.000) 9.666 4.989 ( 0.000 -7.896 0.000) 7.896 4.996 ( 0.000 -4.195 0.000) 4.195 5.754 ( 0.000 8.931 0.000) 8.931 5.845 ( 0.000 18.389 0.000) 18.389 6.037 ( 0.000 -1.043 0.000) 1.043 6.099 ( 0.000 4.002 0.000) 4.002 6.121 ( 0.000 9.017 0.000) 9.017 6.330 ( 0.000 -3.146 0.000) 3.146 6.629 ( 0.000 12.246 0.000) 12.246 6.665 ( 0.000 14.333 0.000) 14.333 6.914 ( 0.000 2.985 0.000) 2.985 6.916 ( 0.000 6.263 0.000) 6.263 6.959 ( 0.000 0.203 0.000) 0.203 7.189 ( 0.000 -11.488 0.000) 11.488 7.421 ( 0.000 -13.845 0.000) 13.845 7.484 ( 0.000 0.829 0.000) 0.829 7.553 ( 0.000 -11.709 0.000) 11.709 7.825 ( 0.000 -11.330 0.000) 11.330 8.124 ( 0.000 7.879 0.000) 7.879 8.231 ( 0.000 -0.780 0.000) 0.780 8.254 ( 0.000 -3.514 0.000) 3.514 8.353 ( 0.000 1.365 0.000) 1.365 8.410 ( 0.000 -5.879 0.000) 5.879 8.775 ( 0.000 -13.808 0.000) 13.808 8.856 ( 0.000 2.397 0.000) 2.397 8.937 ( 0.000 -0.992 0.000) 0.992 9.835 ( 0.000 17.496 0.000) 17.496 10.172 ( 0.000 8.288 0.000) 8.288 10.513 ( 0.000 -8.840 0.000) 8.840 10.611 ( 0.000 -19.385 0.000) 19.385 11.263 ( 0.000 7.082 0.000) 7.082 11.366 ( 0.000 2.920 0.000) 2.920 11.377 ( 0.000 2.159 0.000) 2.159 11.390 ( 0.000 1.867 0.000) 1.867 11.953 ( 0.000 -1.843 0.000) 1.843 12.014 ( 0.000 -5.758 0.000) 5.758 12.093 ( 0.000 6.527 0.000) 6.527 12.412 ( 0.000 -0.601 0.000) 0.601 12.510 ( 0.000 -0.438 0.000) 0.438 12.553 ( 0.000 -10.274 0.000) 10.274 13.086 ( 0.000 7.377 0.000) 7.377 13.358 ( 0.000 -6.367 0.000) 6.367 14.315 ( 0.000 12.586 0.000) 12.586 14.466 ( 0.000 20.110 0.000) 20.110 14.842 ( 0.000 -13.005 0.000) 13.005 15.260 ( 0.000 -19.781 0.000) 19.781 19.278 ( 0.000 12.355 0.000) 12.355 19.335 ( 0.000 17.973 0.000) 17.973 19.427 ( 0.000 8.606 0.000) 8.606 20.019 ( 0.000 -15.073 0.000) 15.073 20.552 ( 0.000 1.919 0.000) 1.919 20.852 ( 0.000 -10.015 0.000) 10.015 21.329 ( 0.000 2.195 0.000) 2.195 21.421 ( 0.000 -2.331 0.000) 2.331 22.166 ( 0.000 2.049 0.000) 2.049 22.242 ( 0.000 -1.658 0.000) 1.658 22.663 ( 0.000 0.613 0.000) 0.613 22.694 ( 0.000 -1.013 0.000) 1.013 23.047 ( 0.000 0.801 0.000) 0.801 23.085 ( 0.000 -1.015 0.000) 1.015 23.573 ( 0.000 7.625 0.000) 7.625 24.001 ( 0.000 -13.580 0.000) 13.580 ======================= Grid point 16 (11/90) ======================= q-point: ( 0.25 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( 8.853 24.727 0.000) 26.265 1.763 ( 7.671 23.056 0.000) 24.299 2.232 ( -7.580 12.637 0.000) 14.736 2.438 ( -14.917 8.013 0.000) 16.933 2.534 ( 3.706 -10.061 0.000) 10.722 2.636 ( -1.016 -13.464 0.000) 13.502 2.747 ( 0.248 -11.681 0.000) 11.684 2.885 ( -8.206 -6.429 0.000) 10.425 3.186 ( 13.866 26.693 0.000) 30.080 3.317 ( 7.993 7.182 0.000) 10.746 3.605 ( 9.342 -4.716 0.000) 10.465 3.692 ( -1.277 4.235 0.000) 4.423 3.798 ( 1.310 10.635 0.000) 10.715 4.023 ( -5.865 10.276 0.000) 11.832 4.240 ( -2.594 1.303 0.000) 2.903 4.349 ( 2.488 -13.193 0.000) 13.426 4.412 ( 4.949 -8.502 0.000) 9.838 4.415 ( -12.017 11.022 0.000) 16.306 4.449 ( -0.859 -7.063 0.000) 7.115 4.592 ( 4.600 -2.392 0.000) 5.185 4.638 ( -2.509 3.829 0.000) 4.578 4.861 ( 1.367 -8.593 0.000) 8.701 4.895 ( -7.045 -6.401 0.000) 9.519 4.978 ( -2.267 -5.851 0.000) 6.275 5.749 ( 0.002 8.284 0.000) 8.284 5.810 ( -2.423 15.791 0.000) 15.976 6.003 ( -0.455 -2.463 0.000) 2.504 6.087 ( -1.437 1.607 0.000) 2.156 6.249 ( 8.731 9.925 0.000) 13.219 6.461 ( 9.574 -1.146 0.000) 9.642 6.602 ( -5.161 14.435 0.000) 15.330 6.666 ( 2.642 10.110 0.000) 10.450 6.865 ( -4.310 5.326 0.000) 6.851 6.878 ( -3.029 8.814 0.000) 9.320 6.991 ( 2.554 -2.129 0.000) 3.325 7.134 ( -3.527 -10.529 0.000) 11.105 7.390 ( -1.096 -9.255 0.000) 9.320 7.452 ( -2.587 -0.308 0.000) 2.605 7.639 ( 5.057 -14.563 0.000) 15.416 7.796 ( -2.223 -12.501 0.000) 12.697 8.096 ( -0.771 4.263 0.000) 4.332 8.183 ( -3.312 1.634 0.000) 3.693 8.299 ( 3.235 -5.721 0.000) 6.572 8.434 ( 0.571 -8.607 0.000) 8.626 8.449 ( 7.416 4.627 0.000) 8.741 8.781 ( -6.075 3.588 0.000) 7.056 8.801 ( 1.980 -11.130 0.000) 11.305 8.904 ( -2.505 -2.124 0.000) 3.284 9.874 ( 3.481 16.780 0.000) 17.138 10.104 ( -5.111 10.798 0.000) 11.946 10.568 ( 3.495 -12.573 0.000) 13.049 10.620 ( 0.589 -19.008 0.000) 19.017 11.271 ( 0.871 6.524 0.000) 6.582 11.348 ( -1.775 3.526 0.000) 3.948 11.385 ( 1.009 2.064 0.000) 2.298 11.402 ( 0.740 1.493 0.000) 1.666 11.982 ( 2.118 -1.153 0.000) 2.412 12.072 ( 5.445 -5.105 0.000) 7.463 12.080 ( -1.321 5.465 0.000) 5.623 12.409 ( -5.988 -7.888 0.000) 9.903 12.496 ( 6.257 3.296 0.000) 7.072 12.650 ( 7.341 -5.023 0.000) 8.895 12.962 ( -10.143 6.416 0.000) 12.002 13.185 ( -13.295 -4.323 0.000) 13.980 14.335 ( 2.055 14.979 0.000) 15.120 14.447 ( -1.697 19.480 0.000) 19.553 14.954 ( 7.913 -16.100 0.000) 17.939 15.225 ( -3.175 -19.659 0.000) 19.914 19.269 ( -0.164 13.478 0.000) 13.479 19.316 ( -1.492 17.175 0.000) 17.239 19.508 ( 6.716 6.375 0.000) 9.260 19.929 ( -8.058 -11.296 0.000) 13.875 20.564 ( 1.422 4.105 0.000) 4.344 20.915 ( -19.022 14.445 0.000) 23.885 20.922 ( 6.087 -10.211 0.000) 11.887 21.353 ( -10.176 -8.525 0.000) 13.275 22.299 ( 8.824 3.470 0.000) 9.482 22.523 ( 13.476 -8.477 0.000) 15.921 22.602 ( -4.332 2.251 0.000) 4.881 22.711 ( 0.245 -2.816 0.000) 2.826 23.140 ( 7.619 1.458 0.000) 7.757 23.245 ( 14.965 -5.007 0.000) 15.780 23.508 ( -5.673 6.652 0.000) 8.742 23.910 ( -8.229 -13.850 0.000) 16.110 ======================= Grid point 17 (12/90) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.978 ( -11.827 19.153 0.000) 22.511 1.978 ( 11.827 19.153 0.000) 22.511 2.048 ( -16.020 16.582 0.000) 23.057 2.048 ( 16.020 16.582 0.000) 23.057 2.673 ( -4.269 -12.305 0.000) 13.024 2.673 ( 4.269 -12.305 0.000) 13.024 2.714 ( -0.519 -16.281 0.000) 16.290 2.714 ( 0.519 -16.281 0.000) 16.290 3.430 ( -1.549 17.684 0.000) 17.751 3.430 ( 1.549 17.684 0.000) 17.751 3.705 ( -1.990 3.192 0.000) 3.761 3.705 ( 1.990 3.192 0.000) 3.761 3.861 ( -6.119 10.493 0.000) 12.147 3.861 ( 6.119 10.493 0.000) 12.147 4.201 ( -2.351 9.196 0.000) 9.492 4.201 ( 2.351 9.196 0.000) 9.492 4.421 ( -2.751 -11.805 0.000) 12.121 4.421 ( 2.751 -11.805 0.000) 12.121 4.546 ( -5.841 -1.832 0.000) 6.122 4.546 ( 5.841 -1.832 0.000) 6.122 4.722 ( -7.315 -4.738 0.000) 8.715 4.722 ( 7.315 -4.738 0.000) 8.715 4.913 ( -3.107 -7.112 0.000) 7.761 4.913 ( 3.107 -7.112 0.000) 7.761 5.764 ( -1.450 11.068 0.000) 11.163 5.764 ( 1.450 11.068 0.000) 11.163 6.035 ( -2.676 -1.993 0.000) 3.336 6.035 ( 2.676 -1.993 0.000) 3.336 6.446 ( -8.436 12.620 0.000) 15.180 6.446 ( 8.436 12.620 0.000) 15.180 6.662 ( -6.479 -0.573 0.000) 6.504 6.662 ( 6.479 -0.573 0.000) 6.504 6.805 ( -2.112 13.830 0.000) 13.991 6.805 ( 2.112 13.830 0.000) 13.991 7.059 ( -3.299 -6.808 0.000) 7.565 7.059 ( 3.299 -6.808 0.000) 7.565 7.396 ( -1.760 -4.281 0.000) 4.629 7.396 ( 1.760 -4.281 0.000) 4.629 7.734 ( -3.465 -14.671 0.000) 15.074 7.734 ( 3.465 -14.671 0.000) 15.074 8.115 ( -2.361 3.303 0.000) 4.060 8.115 ( 2.361 3.303 0.000) 4.060 8.391 ( -4.168 -9.085 0.000) 9.995 8.391 ( 4.168 -9.085 0.000) 9.995 8.623 ( -7.722 5.343 0.000) 9.390 8.623 ( 7.722 5.343 0.000) 9.390 8.849 ( -2.296 -6.036 0.000) 6.458 8.849 ( 2.296 -6.036 0.000) 6.458 9.979 ( -5.638 14.474 0.000) 15.534 9.979 ( 5.638 14.474 0.000) 15.534 10.620 ( -0.990 -17.116 0.000) 17.145 10.620 ( 0.990 -17.116 0.000) 17.145 11.303 ( -1.950 5.144 0.000) 5.501 11.303 ( 1.950 5.144 0.000) 5.501 11.406 ( -0.510 1.435 0.000) 1.523 11.406 ( 0.510 1.435 0.000) 1.523 12.035 ( -2.483 2.242 0.000) 3.345 12.035 ( 2.483 2.242 0.000) 3.345 12.237 ( -8.560 -6.187 0.000) 10.561 12.237 ( 8.560 -6.187 0.000) 10.561 12.704 ( -11.605 4.562 0.000) 12.470 12.704 ( 11.605 4.562 0.000) 12.470 12.878 ( -12.875 -3.500 0.000) 13.343 12.878 ( 12.875 -3.500 0.000) 13.343 14.395 ( -2.855 17.725 0.000) 17.954 14.395 ( 2.855 17.725 0.000) 17.954 15.119 ( -6.329 -18.861 0.000) 19.894 15.119 ( 6.329 -18.861 0.000) 19.894 19.282 ( -1.254 15.388 0.000) 15.439 19.282 ( 1.254 15.388 0.000) 15.439 19.705 ( -10.568 -0.539 0.000) 10.582 19.705 ( 10.568 -0.539 0.000) 10.582 20.642 ( -6.605 10.430 0.000) 12.346 20.642 ( 6.605 10.430 0.000) 12.346 21.109 ( -10.416 -10.139 0.000) 14.536 21.109 ( 10.416 -10.139 0.000) 14.536 22.478 ( -6.899 3.850 0.000) 7.900 22.478 ( 6.899 3.850 0.000) 7.900 22.686 ( -3.015 -5.796 0.000) 6.533 22.686 ( 3.015 -5.796 0.000) 6.533 23.337 ( -9.168 4.056 0.000) 10.025 23.337 ( 9.168 4.056 0.000) 10.025 23.634 ( -16.545 -12.681 0.000) 20.846 23.634 ( 16.545 -12.681 0.000) 20.846 ======================= Grid point 20 (13/90) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( 0.000 -23.742 0.000) 23.742 2.132 ( 0.000 23.742 0.000) 23.742 2.142 ( 0.000 -19.261 0.000) 19.261 2.142 ( 0.000 19.261 0.000) 19.261 2.557 ( 0.000 -7.479 0.000) 7.479 2.557 ( 0.000 7.479 0.000) 7.479 2.947 ( 0.000 -5.345 0.000) 5.345 2.947 ( 0.000 5.345 0.000) 5.345 3.288 ( 0.000 -7.900 0.000) 7.900 3.288 ( 0.000 7.900 0.000) 7.900 3.549 ( 0.000 -21.028 0.000) 21.028 3.549 ( 0.000 21.028 0.000) 21.028 3.994 ( 0.000 -9.774 0.000) 9.774 3.994 ( 0.000 9.774 0.000) 9.774 4.264 ( 0.000 -8.687 0.000) 8.687 4.264 ( 0.000 8.687 0.000) 8.687 4.270 ( 0.000 -1.761 0.000) 1.761 4.270 ( 0.000 1.761 0.000) 1.761 4.647 ( 0.000 -9.912 0.000) 9.912 4.647 ( 0.000 9.912 0.000) 9.912 4.742 ( 0.000 -0.051 0.000) 0.051 4.742 ( 0.000 0.051 0.000) 0.051 4.898 ( 0.000 -2.048 0.000) 2.048 4.898 ( 0.000 2.048 0.000) 2.048 5.932 ( 0.000 -8.300 0.000) 8.300 5.932 ( 0.000 8.300 0.000) 8.300 6.089 ( 0.000 -5.876 0.000) 5.876 6.089 ( 0.000 5.876 0.000) 5.876 6.261 ( 0.000 -4.910 0.000) 4.910 6.261 ( 0.000 4.910 0.000) 4.910 6.879 ( 0.000 -10.177 0.000) 10.177 6.879 ( 0.000 10.177 0.000) 10.177 6.946 ( 0.000 -13.648 0.000) 13.648 6.946 ( 0.000 13.648 0.000) 13.648 6.974 ( 0.000 -0.116 0.000) 0.116 6.974 ( 0.000 0.116 0.000) 0.116 7.317 ( 0.000 -7.490 0.000) 7.490 7.317 ( 0.000 7.490 0.000) 7.490 7.588 ( 0.000 -10.006 0.000) 10.006 7.588 ( 0.000 10.006 0.000) 10.006 8.216 ( 0.000 -1.419 0.000) 1.419 8.216 ( 0.000 1.419 0.000) 1.419 8.288 ( 0.000 -5.486 0.000) 5.486 8.288 ( 0.000 5.486 0.000) 5.486 8.504 ( 0.000 -12.692 0.000) 12.692 8.504 ( 0.000 12.692 0.000) 12.692 8.905 ( 0.000 -2.198 0.000) 2.198 8.905 ( 0.000 2.198 0.000) 2.198 10.210 ( 0.000 -20.256 0.000) 20.256 10.210 ( 0.000 20.256 0.000) 20.256 10.340 ( 0.000 -8.673 0.000) 8.673 10.340 ( 0.000 8.673 0.000) 8.673 11.374 ( 0.000 -3.568 0.000) 3.568 11.374 ( 0.000 3.568 0.000) 3.568 11.399 ( 0.000 -0.175 0.000) 0.175 11.399 ( 0.000 0.175 0.000) 0.175 11.942 ( 0.000 -1.295 0.000) 1.295 11.942 ( 0.000 1.295 0.000) 1.295 12.266 ( 0.000 -10.446 0.000) 10.446 12.266 ( 0.000 10.446 0.000) 10.446 12.493 ( 0.000 -0.907 0.000) 0.907 12.493 ( 0.000 0.907 0.000) 0.907 13.227 ( 0.000 -6.920 0.000) 6.920 13.227 ( 0.000 6.920 0.000) 6.920 14.576 ( 0.000 -13.623 0.000) 13.623 14.576 ( 0.000 13.623 0.000) 13.623 14.865 ( 0.000 -20.193 0.000) 20.193 14.865 ( 0.000 20.193 0.000) 20.193 19.460 ( 0.000 -4.875 0.000) 4.875 19.460 ( 0.000 4.875 0.000) 4.875 19.692 ( 0.000 -17.766 0.000) 17.766 19.692 ( 0.000 17.766 0.000) 17.766 20.660 ( 0.000 -8.576 0.000) 8.576 20.660 ( 0.000 8.576 0.000) 8.576 21.374 ( 0.000 -2.357 0.000) 2.357 21.374 ( 0.000 2.357 0.000) 2.357 22.206 ( 0.000 -1.944 0.000) 1.944 22.206 ( 0.000 1.944 0.000) 1.944 22.677 ( 0.000 -0.734 0.000) 0.734 22.677 ( 0.000 0.734 0.000) 0.734 23.065 ( 0.000 -0.978 0.000) 0.978 23.065 ( 0.000 0.978 0.000) 0.978 23.756 ( 0.000 -10.953 0.000) 10.953 23.756 ( 0.000 10.953 0.000) 10.953 ======================= Grid point 22 (14/90) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.194 ( 5.119 -19.895 0.000) 20.543 2.194 ( 5.119 19.895 0.000) 20.543 2.196 ( 5.478 -22.074 0.000) 22.744 2.196 ( 5.478 22.074 0.000) 22.744 2.502 ( -4.929 -12.582 0.000) 13.513 2.502 ( -4.929 12.582 0.000) 13.513 2.702 ( -15.262 -10.573 0.000) 18.567 2.702 ( -15.262 10.573 0.000) 18.567 3.482 ( 10.882 -7.824 0.000) 13.402 3.482 ( 10.882 7.824 0.000) 13.402 3.643 ( 5.941 -13.310 0.000) 14.575 3.643 ( 5.941 13.310 0.000) 14.575 4.010 ( 2.692 -13.664 0.000) 13.927 4.010 ( 2.692 13.664 0.000) 13.927 4.236 ( -2.483 -11.067 0.000) 11.343 4.236 ( -2.483 11.067 0.000) 11.343 4.296 ( 2.307 -4.813 0.000) 5.338 4.296 ( 2.307 4.813 0.000) 5.338 4.642 ( -8.958 -7.196 0.000) 11.490 4.642 ( -8.958 7.196 0.000) 11.490 4.679 ( 2.855 -8.883 0.000) 9.331 4.679 ( 2.855 8.883 0.000) 9.331 4.853 ( -3.485 -4.674 0.000) 5.830 4.853 ( -3.485 4.674 0.000) 5.830 5.903 ( -0.362 -7.057 0.000) 7.067 5.903 ( -0.362 7.057 0.000) 7.067 6.041 ( -3.877 -6.851 0.000) 7.872 6.041 ( -3.877 6.851 0.000) 7.872 6.405 ( 10.155 -5.427 0.000) 11.514 6.405 ( 10.155 5.427 0.000) 11.514 6.796 ( -5.991 -1.754 0.000) 6.243 6.796 ( -5.991 1.754 0.000) 6.243 6.968 ( 0.723 -5.134 0.000) 5.184 6.968 ( 0.723 5.134 0.000) 5.184 6.974 ( 0.001 -1.072 0.000) 1.072 6.974 ( 0.001 1.072 0.000) 1.072 7.357 ( 3.279 -10.030 0.000) 10.553 7.357 ( 3.279 10.030 0.000) 10.553 7.546 ( -3.607 -10.313 0.000) 10.926 7.546 ( -3.607 10.313 0.000) 10.926 8.193 ( -0.374 -5.161 0.000) 5.175 8.193 ( -0.374 5.161 0.000) 5.175 8.273 ( -1.482 -6.955 0.000) 7.111 8.273 ( -1.482 6.955 0.000) 7.111 8.594 ( 6.319 -9.423 0.000) 11.345 8.594 ( 6.319 9.423 0.000) 11.345 8.852 ( -4.340 -3.226 0.000) 5.407 8.852 ( -4.340 3.226 0.000) 5.407 10.234 ( 1.963 -19.375 0.000) 19.474 10.234 ( 1.963 19.375 0.000) 19.474 10.328 ( -1.211 -11.775 0.000) 11.837 10.328 ( -1.211 11.775 0.000) 11.837 11.378 ( 0.339 -3.750 0.000) 3.765 11.378 ( 0.339 3.750 0.000) 3.765 11.396 ( -0.253 -1.109 0.000) 1.138 11.396 ( -0.253 1.109 0.000) 1.138 11.994 ( 4.394 -2.475 0.000) 5.043 11.994 ( 4.394 2.475 0.000) 5.043 12.228 ( -3.653 -9.132 0.000) 9.836 12.228 ( -3.653 9.132 0.000) 9.836 12.569 ( 7.082 -3.763 0.000) 8.019 12.569 ( 7.082 3.763 0.000) 8.019 13.083 ( -11.532 -5.776 0.000) 12.898 13.083 ( -11.532 5.776 0.000) 12.898 14.639 ( 4.855 -15.773 0.000) 16.503 14.639 ( 4.855 15.773 0.000) 16.503 14.836 ( -2.635 -19.774 0.000) 19.949 14.836 ( -2.635 19.774 0.000) 19.949 19.488 ( 2.422 -7.409 0.000) 7.795 19.488 ( 2.422 7.409 0.000) 7.795 19.650 ( -3.431 -16.144 0.000) 16.505 19.650 ( -3.431 16.144 0.000) 16.505 20.714 ( 4.937 -10.149 0.000) 11.286 20.714 ( 4.937 10.149 0.000) 11.286 21.163 ( -14.046 -10.877 0.000) 17.765 21.163 ( -14.046 10.877 0.000) 17.765 22.386 ( 10.937 -5.533 0.000) 12.257 22.386 ( 10.937 5.533 0.000) 12.257 22.654 ( -2.163 -2.879 0.000) 3.601 22.654 ( -2.163 2.879 0.000) 3.601 23.177 ( 9.773 -2.399 0.000) 10.063 23.177 ( 9.773 2.399 0.000) 10.063 23.673 ( -7.404 -10.147 0.000) 12.561 23.673 ( -7.404 10.147 0.000) 12.561 ======================= Grid point 24 (15/90) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.341 ( -3.858 -8.616 0.000) 9.440 2.341 ( 3.858 -8.616 0.000) 9.440 2.341 ( -3.858 8.616 0.000) 9.440 2.341 ( 3.858 8.616 0.000) 9.440 2.398 ( -8.169 -6.785 0.000) 10.619 2.398 ( 8.169 -6.785 0.000) 10.619 2.398 ( -8.169 6.785 0.000) 10.619 2.398 ( 8.169 6.785 0.000) 10.619 3.665 ( -4.618 -6.906 0.000) 8.308 3.665 ( 4.618 -6.906 0.000) 8.308 3.665 ( -4.618 6.906 0.000) 8.308 3.665 ( 4.618 6.906 0.000) 8.308 4.142 ( -6.620 -15.757 0.000) 17.091 4.142 ( 6.620 -15.757 0.000) 17.091 4.142 ( -6.620 15.757 0.000) 17.091 4.142 ( 6.620 15.757 0.000) 17.091 4.408 ( -9.158 -10.435 0.000) 13.884 4.408 ( 9.158 -10.435 0.000) 13.884 4.408 ( -9.158 10.435 0.000) 13.884 4.408 ( 9.158 10.435 0.000) 13.884 4.763 ( -4.325 -6.945 0.000) 8.182 4.763 ( 4.325 -6.945 0.000) 8.182 4.763 ( -4.325 6.945 0.000) 8.182 4.763 ( 4.325 6.945 0.000) 8.182 5.947 ( -3.852 -7.049 0.000) 8.033 5.947 ( 3.852 -7.049 0.000) 8.033 5.947 ( -3.852 7.049 0.000) 8.033 5.947 ( 3.852 7.049 0.000) 8.033 6.628 ( -9.141 -4.910 0.000) 10.376 6.628 ( 9.141 -4.910 0.000) 10.376 6.628 ( -9.141 4.910 0.000) 10.376 6.628 ( 9.141 4.910 0.000) 10.376 6.974 ( -0.044 -3.102 0.000) 3.102 6.974 ( 0.044 -3.102 0.000) 3.102 6.974 ( -0.044 3.102 0.000) 3.102 6.974 ( 0.044 3.102 0.000) 3.102 7.448 ( -4.677 -11.341 0.000) 12.268 7.448 ( 4.677 -11.341 0.000) 12.268 7.448 ( -4.677 11.341 0.000) 12.268 7.448 ( 4.677 11.341 0.000) 12.268 8.224 ( -2.555 -7.374 0.000) 7.804 8.224 ( 2.555 -7.374 0.000) 7.804 8.224 ( -2.555 7.374 0.000) 7.804 8.224 ( 2.555 7.374 0.000) 7.804 8.734 ( -6.013 -5.691 0.000) 8.280 8.734 ( 6.013 -5.691 0.000) 8.280 8.734 ( -6.013 5.691 0.000) 8.280 8.734 ( 6.013 5.691 0.000) 8.280 10.286 ( -2.405 -16.467 0.000) 16.642 10.286 ( 2.405 -16.467 0.000) 16.642 10.286 ( -2.405 16.467 0.000) 16.642 10.286 ( 2.405 16.467 0.000) 16.642 11.388 ( -0.472 -3.023 0.000) 3.060 11.388 ( 0.472 -3.023 0.000) 3.060 11.388 ( -0.472 3.023 0.000) 3.060 11.388 ( 0.472 3.023 0.000) 3.060 12.115 ( -5.947 -5.600 0.000) 8.168 12.115 ( 5.947 -5.600 0.000) 8.168 12.115 ( -5.947 5.600 0.000) 8.168 12.115 ( 5.947 5.600 0.000) 8.168 12.797 ( -12.751 -4.591 0.000) 13.552 12.797 ( -12.751 4.591 0.000) 13.552 12.797 ( 12.751 -4.591 0.000) 13.552 12.797 ( 12.751 4.591 0.000) 13.552 14.752 ( -4.751 -18.396 0.000) 19.000 14.752 ( 4.751 -18.396 0.000) 19.000 14.752 ( -4.751 18.396 0.000) 19.000 14.752 ( 4.751 18.396 0.000) 19.000 19.562 ( -4.045 -12.044 0.000) 12.705 19.562 ( 4.045 -12.044 0.000) 12.705 19.562 ( -4.045 12.044 0.000) 12.705 19.562 ( 4.045 12.044 0.000) 12.705 20.882 ( -10.366 -12.550 0.000) 16.277 20.882 ( 10.366 -12.550 0.000) 16.277 20.882 ( -10.366 12.550 0.000) 16.277 20.882 ( 10.366 12.550 0.000) 16.277 22.571 ( -5.629 -5.485 0.000) 7.859 22.571 ( 5.629 -5.485 0.000) 7.859 22.571 ( -5.629 5.485 0.000) 7.859 22.571 ( 5.629 5.485 0.000) 7.859 23.444 ( -12.535 -7.065 0.000) 14.389 23.444 ( 12.535 -7.065 0.000) 14.389 23.444 ( -12.535 7.065 0.000) 14.389 23.444 ( 12.535 7.065 0.000) 14.389 ======================= Grid point 45 (16/90) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.526 ( 0.000 0.000 27.297) 27.297 0.568 ( 0.000 0.000 29.327) 29.327 1.006 ( 0.000 0.000 51.222) 51.222 1.841 ( 0.000 0.000 4.084) 4.084 2.108 ( 0.000 0.000 6.178) 6.178 2.416 ( 0.000 0.000 -2.615) 2.615 2.976 ( 0.000 0.000 -3.379) 3.379 3.012 ( 0.000 0.000 -3.712) 3.712 3.223 ( 0.000 0.000 -4.331) 4.331 3.226 ( 0.000 0.000 -4.118) 4.118 3.476 ( 0.000 0.000 -3.931) 3.931 3.484 ( 0.000 0.000 3.789) 3.789 3.690 ( 0.000 0.000 -1.714) 1.714 3.815 ( 0.000 0.000 -12.086) 12.086 4.015 ( 0.000 0.000 -1.020) 1.020 4.346 ( 0.000 0.000 13.446) 13.446 4.377 ( 0.000 0.000 -3.788) 3.788 4.597 ( 0.000 0.000 3.351) 3.351 4.766 ( 0.000 0.000 3.542) 3.542 4.775 ( 0.000 0.000 -3.425) 3.425 4.788 ( 0.000 0.000 -0.140) 0.140 4.931 ( 0.000 0.000 0.558) 0.558 4.982 ( 0.000 0.000 -6.426) 6.426 5.190 ( 0.000 0.000 -1.508) 1.508 5.234 ( 0.000 0.000 -8.849) 8.849 5.512 ( 0.000 0.000 -3.778) 3.778 5.797 ( 0.000 0.000 7.071) 7.071 5.807 ( 0.000 0.000 0.209) 0.209 5.907 ( 0.000 0.000 1.975) 1.975 6.075 ( 0.000 0.000 6.790) 6.790 6.308 ( 0.000 0.000 1.354) 1.354 6.345 ( 0.000 0.000 -0.684) 0.684 6.592 ( 0.000 0.000 -7.718) 7.718 6.941 ( 0.000 0.000 2.093) 2.093 7.296 ( 0.000 0.000 -6.307) 6.307 7.456 ( 0.000 0.000 -6.368) 6.368 7.531 ( 0.000 0.000 -6.160) 6.160 7.599 ( 0.000 0.000 9.343) 9.343 7.647 ( 0.000 0.000 -2.896) 2.896 8.066 ( 0.000 0.000 2.410) 2.410 8.381 ( 0.000 0.000 -4.236) 4.236 8.390 ( 0.000 0.000 4.461) 4.461 8.597 ( 0.000 0.000 -1.973) 1.973 8.688 ( 0.000 0.000 -3.052) 3.052 8.700 ( 0.000 0.000 3.774) 3.774 8.901 ( 0.000 0.000 0.819) 0.819 8.920 ( 0.000 0.000 0.711) 0.711 9.060 ( 0.000 0.000 2.386) 2.386 9.284 ( 0.000 0.000 -4.278) 4.278 9.310 ( 0.000 0.000 -4.554) 4.554 10.724 ( 0.000 0.000 -4.031) 4.031 10.960 ( 0.000 0.000 -5.028) 5.028 10.961 ( 0.000 0.000 0.256) 0.256 11.027 ( 0.000 0.000 -3.298) 3.298 11.307 ( 0.000 0.000 5.863) 5.863 11.542 ( 0.000 0.000 3.982) 3.982 11.943 ( 0.000 0.000 -8.312) 8.312 12.104 ( 0.000 0.000 2.556) 2.556 12.105 ( 0.000 0.000 -1.421) 1.421 12.193 ( 0.000 0.000 -14.368) 14.368 12.342 ( 0.000 0.000 -0.810) 0.810 12.549 ( 0.000 0.000 10.863) 10.863 12.735 ( 0.000 0.000 -0.764) 0.764 13.136 ( 0.000 0.000 6.828) 6.828 13.844 ( 0.000 0.000 7.217) 7.217 15.281 ( 0.000 0.000 -1.747) 1.747 15.791 ( 0.000 0.000 -0.241) 0.241 16.112 ( 0.000 0.000 -1.375) 1.375 18.644 ( 0.000 0.000 0.146) 0.146 18.678 ( 0.000 0.000 0.062) 0.062 18.700 ( 0.000 0.000 -0.112) 0.112 18.717 ( 0.000 0.000 -0.092) 0.092 20.496 ( 0.000 0.000 0.501) 0.501 20.629 ( 0.000 0.000 -0.015) 0.015 21.226 ( 0.000 0.000 -2.614) 2.614 21.381 ( 0.000 0.000 -1.200) 1.200 22.087 ( 0.000 0.000 0.316) 0.316 22.277 ( 0.000 0.000 -1.665) 1.665 22.715 ( 0.000 0.000 -2.770) 2.770 22.990 ( 0.000 0.000 -3.288) 3.288 23.214 ( 0.000 0.000 8.088) 8.088 23.429 ( 0.000 0.000 6.320) 6.320 23.877 ( 0.000 0.000 1.028) 1.028 24.935 ( 0.000 0.000 -6.594) 6.594 ======================= Grid point 46 (17/90) ======================= q-point: ( 0.25 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( 21.375 0.000 16.311) 26.887 0.939 ( 22.631 0.000 20.767) 30.715 1.548 ( 37.526 0.000 26.552) 45.970 1.686 ( -12.944 0.000 5.172) 13.939 1.935 ( -10.865 0.000 9.916) 14.710 2.491 ( 5.839 0.000 -2.874) 6.508 2.817 ( -7.962 0.000 -3.577) 8.728 3.161 ( 7.210 0.000 -3.629) 8.072 3.257 ( -1.035 0.000 -6.372) 6.456 3.277 ( 3.228 0.000 -1.523) 3.570 3.334 ( -15.428 0.000 -3.514) 15.823 3.432 ( -3.936 0.000 -4.197) 5.754 3.616 ( 0.427 0.000 5.086) 5.104 3.887 ( -2.538 0.000 -1.903) 3.172 4.038 ( 2.789 0.000 0.383) 2.815 4.239 ( -1.136 0.000 4.754) 4.888 4.313 ( -6.333 0.000 -0.381) 6.345 4.627 ( 4.647 0.000 -2.778) 5.413 4.639 ( -8.162 0.000 1.896) 8.379 4.833 ( 1.261 0.000 -6.848) 6.964 4.866 ( 3.743 0.000 -4.784) 6.074 4.977 ( 1.418 0.000 -1.981) 2.436 4.978 ( 0.026 0.000 1.097) 1.097 5.187 ( 1.484 0.000 -1.948) 2.449 5.190 ( -3.865 0.000 -5.767) 6.942 5.383 ( -7.280 0.000 -0.873) 7.333 5.804 ( 1.936 0.000 2.177) 2.913 5.857 ( 2.329 0.000 1.532) 2.787 6.068 ( -0.227 0.000 7.185) 7.188 6.083 ( 9.184 0.000 -1.857) 9.370 6.230 ( -5.885 0.000 2.548) 6.413 6.283 ( -3.385 0.000 -2.495) 4.205 6.676 ( 7.614 0.000 -3.165) 8.246 6.991 ( 0.605 0.000 -1.126) 1.279 7.333 ( 2.583 0.000 -6.429) 6.928 7.393 ( -4.945 0.000 8.586) 9.909 7.433 ( -1.690 0.000 -5.820) 6.061 7.508 ( -3.609 0.000 -4.371) 5.668 7.706 ( 9.030 0.000 8.222) 12.212 8.231 ( -11.298 0.000 5.214) 12.444 8.251 ( 5.486 0.000 -3.436) 6.473 8.343 ( -1.290 0.000 -3.222) 3.470 8.445 ( -2.127 0.000 -2.673) 3.416 8.612 ( -3.639 0.000 1.349) 3.881 8.814 ( 7.122 0.000 3.350) 7.870 8.897 ( 8.312 0.000 3.763) 9.125 9.036 ( -2.279 0.000 2.622) 3.474 9.281 ( -0.148 0.000 -4.390) 4.393 9.300 ( -0.780 0.000 -4.532) 4.599 9.310 ( -0.385 0.000 -10.849) 10.855 10.747 ( 2.084 0.000 -4.026) 4.534 10.907 ( -4.014 0.000 -4.507) 6.035 10.994 ( 2.889 0.000 0.010) 2.889 11.152 ( -1.402 0.000 -3.874) 4.119 11.552 ( 15.711 0.000 -9.484) 18.352 11.623 ( 6.549 0.000 3.274) 7.322 11.907 ( -4.002 0.000 -4.663) 6.145 11.986 ( -8.048 0.000 2.171) 8.336 12.154 ( 5.089 0.000 -10.800) 11.939 12.289 ( 3.684 0.000 -19.778) 20.118 12.446 ( 6.808 0.000 -0.387) 6.819 12.610 ( 7.601 0.000 7.696) 10.817 12.697 ( -3.353 0.000 -0.674) 3.421 13.068 ( -6.328 0.000 4.216) 7.604 13.872 ( 2.828 0.000 10.810) 11.174 14.404 ( -31.565 0.000 34.464) 46.735 16.039 ( 4.605 0.000 -6.139) 7.674 16.110 ( -0.375 0.000 -1.623) 1.666 18.648 ( 0.413 0.000 0.124) 0.431 18.672 ( -0.456 0.000 0.055) 0.459 18.703 ( 0.240 0.000 -0.090) 0.256 18.715 ( -0.188 0.000 -0.084) 0.206 20.508 ( 1.780 0.000 0.131) 1.784 20.630 ( -2.085 0.000 1.965) 2.865 21.211 ( 4.891 0.000 -3.301) 5.900 21.544 ( -3.806 0.000 -7.362) 8.288 22.172 ( 8.728 0.000 -2.321) 9.031 22.502 ( 6.806 0.000 -5.433) 8.709 22.639 ( -2.340 0.000 -7.376) 7.738 22.899 ( -6.511 0.000 -4.171) 7.732 23.205 ( 3.337 0.000 8.237) 8.887 23.369 ( -2.300 0.000 5.298) 5.776 24.276 ( 17.828 0.000 -9.529) 20.215 24.786 ( -9.631 0.000 0.220) 9.634 ======================= Grid point 47 (18/90) ======================= q-point: (-0.50 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( -20.335 0.000 8.638) 22.094 1.309 ( 20.335 0.000 8.638) 22.094 1.446 ( -22.029 0.000 12.950) 25.553 1.446 ( 22.029 0.000 12.950) 25.553 2.585 ( -42.035 0.000 10.710) 43.378 2.585 ( 42.035 0.000 10.710) 43.378 2.644 ( -7.560 0.000 -3.358) 8.272 2.644 ( 7.560 0.000 -3.358) 8.272 3.313 ( -6.403 0.000 -4.004) 7.552 3.313 ( 6.403 0.000 -4.004) 7.552 3.323 ( -0.355 0.000 -1.313) 1.360 3.323 ( 0.355 0.000 -1.313) 1.360 3.720 ( -7.884 0.000 -1.906) 8.111 3.720 ( 7.884 0.000 -1.906) 8.111 4.151 ( -6.998 0.000 1.255) 7.110 4.151 ( 6.998 0.000 1.255) 7.110 4.411 ( -11.424 0.000 0.935) 11.463 4.411 ( 11.424 0.000 0.935) 11.463 4.761 ( -6.016 0.000 -7.651) 9.733 4.761 ( 6.016 0.000 -7.651) 9.733 4.938 ( -2.789 0.000 -1.683) 3.257 4.938 ( 2.789 0.000 -1.683) 3.257 5.077 ( -5.828 0.000 -1.122) 5.935 5.077 ( 5.828 0.000 -1.122) 5.935 5.254 ( -4.340 0.000 -1.096) 4.477 5.254 ( 4.340 0.000 -1.096) 4.477 5.862 ( -2.168 0.000 -0.039) 2.169 5.862 ( 2.168 0.000 -0.039) 2.169 6.106 ( -4.219 0.000 5.864) 7.224 6.106 ( 4.219 0.000 5.864) 7.224 6.213 ( -3.474 0.000 -3.793) 5.143 6.213 ( 3.474 0.000 -3.793) 5.143 6.884 ( -9.117 0.000 0.860) 9.158 6.884 ( 9.117 0.000 0.860) 9.158 7.388 ( -2.272 0.000 -6.020) 6.434 7.388 ( 2.272 0.000 -6.020) 6.434 7.415 ( -4.283 0.000 -0.355) 4.297 7.415 ( 4.283 0.000 -0.355) 4.297 7.957 ( -12.638 0.000 6.584) 14.250 7.957 ( 12.638 0.000 6.584) 14.250 8.309 ( -2.077 0.000 -3.555) 4.118 8.309 ( 2.077 0.000 -3.555) 4.118 8.512 ( -5.240 0.000 -0.506) 5.264 8.512 ( 5.240 0.000 -0.506) 5.264 8.954 ( -5.146 0.000 2.971) 5.942 8.954 ( 5.146 0.000 2.971) 5.942 9.131 ( -11.553 0.000 -1.150) 11.610 9.131 ( 11.553 0.000 -1.150) 11.610 9.284 ( -0.474 0.000 -4.499) 4.524 9.284 ( 0.474 0.000 -4.499) 4.524 10.814 ( -3.845 0.000 -4.095) 5.617 10.814 ( 3.845 0.000 -4.095) 5.617 11.076 ( -4.125 0.000 -0.612) 4.170 11.076 ( 4.125 0.000 -0.612) 4.170 11.784 ( -7.088 0.000 -3.874) 8.078 11.784 ( 7.088 0.000 -3.874) 8.078 11.797 ( -8.592 0.000 2.463) 8.938 11.797 ( 8.592 0.000 2.463) 8.938 12.266 ( -4.166 0.000 -15.576) 16.124 12.266 ( 4.166 0.000 -15.576) 16.124 12.592 ( -5.919 0.000 -0.471) 5.938 12.592 ( 5.919 0.000 -0.471) 5.938 12.859 ( -11.945 0.000 1.030) 11.990 12.859 ( 11.945 0.000 1.030) 11.990 13.997 ( -9.555 0.000 21.032) 23.101 13.997 ( 9.555 0.000 21.032) 23.101 16.091 ( -1.301 0.000 -2.756) 3.047 16.091 ( 1.301 0.000 -2.756) 3.047 18.660 ( -0.599 0.000 0.079) 0.604 18.660 ( 0.599 0.000 0.079) 0.604 18.709 ( -0.288 0.000 -0.077) 0.298 18.709 ( 0.288 0.000 -0.077) 0.298 20.565 ( -3.134 0.000 1.108) 3.324 20.565 ( 3.134 0.000 1.108) 3.324 21.374 ( -8.770 0.000 -3.761) 9.543 21.374 ( 8.770 0.000 -3.761) 9.543 22.380 ( -9.398 0.000 -0.781) 9.430 22.380 ( 9.398 0.000 -0.781) 9.430 22.759 ( -6.572 0.000 -9.122) 11.242 22.759 ( 6.572 0.000 -9.122) 11.242 23.301 ( -4.097 0.000 6.200) 7.431 23.301 ( 4.097 0.000 6.200) 7.431 24.568 ( -10.395 0.000 -2.723) 10.746 24.568 ( 10.395 0.000 -2.723) 10.746 ======================= Grid point 50 (19/90) ======================= q-point: ( 0.00 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( 0.000 18.827 20.879) 28.114 0.808 ( 0.000 20.512 19.429) 28.253 1.378 ( 0.000 33.064 33.457) 47.038 2.073 ( 0.000 20.208 3.424) 20.496 2.137 ( 0.000 4.909 5.557) 7.414 2.470 ( 0.000 5.124 -1.269) 5.278 2.961 ( 0.000 -1.871 -0.105) 1.874 3.083 ( 0.000 0.469 -3.423) 3.455 3.188 ( 0.000 -4.633 -1.988) 5.042 3.215 ( 0.000 3.804 -5.548) 6.727 3.501 ( 0.000 3.368 0.375) 3.389 3.543 ( 0.000 4.095 -2.685) 4.897 3.617 ( 0.000 -6.212 -0.136) 6.214 3.793 ( 0.000 -0.021 -8.804) 8.804 4.012 ( 0.000 -0.568 -4.134) 4.173 4.373 ( 0.000 3.246 8.816) 9.395 4.468 ( 0.000 -0.957 -3.266) 3.403 4.583 ( 0.000 2.535 -5.179) 5.766 4.715 ( 0.000 -4.598 1.669) 4.892 4.784 ( 0.000 -2.765 -5.120) 5.819 4.818 ( 0.000 -3.773 -1.338) 4.003 4.939 ( 0.000 2.958 -0.117) 2.960 5.068 ( 0.000 10.962 -2.643) 11.276 5.072 ( 0.000 -5.524 -5.633) 7.890 5.385 ( 0.000 8.451 -3.189) 9.033 5.408 ( 0.000 -8.559 0.607) 8.580 5.827 ( 0.000 1.538 -1.748) 2.328 5.875 ( 0.000 6.571 5.445) 8.534 5.926 ( 0.000 3.036 3.514) 4.644 6.181 ( 0.000 9.624 5.301) 10.988 6.368 ( 0.000 2.653 -0.213) 2.661 6.381 ( 0.000 5.131 0.292) 5.140 6.578 ( 0.000 -0.279 -7.952) 7.957 6.925 ( 0.000 -1.154 1.432) 1.839 7.238 ( 0.000 -12.697 10.924) 16.750 7.429 ( 0.000 -3.040 -7.275) 7.885 7.434 ( 0.000 7.733 -8.887) 11.780 7.522 ( 0.000 -0.740 -3.374) 3.454 7.803 ( 0.000 4.764 5.155) 7.019 7.955 ( 0.000 -9.814 2.402) 10.103 8.297 ( 0.000 -7.454 -3.250) 8.132 8.451 ( 0.000 4.343 3.568) 5.620 8.474 ( 0.000 -6.930 0.704) 6.966 8.558 ( 0.000 -6.585 4.260) 7.843 8.564 ( 0.000 -9.888 -1.075) 9.946 8.863 ( 0.000 -3.571 -1.787) 3.993 8.933 ( 0.000 1.224 0.440) 1.301 9.152 ( 0.000 1.085 2.335) 2.575 9.313 ( 0.000 4.541 -3.425) 5.688 9.675 ( 0.000 15.835 -17.288) 23.444 10.785 ( 0.000 4.744 -5.006) 6.897 10.829 ( 0.000 -8.827 -3.912) 9.655 11.000 ( 0.000 4.037 -0.149) 4.040 11.103 ( 0.000 3.903 -5.529) 6.768 11.368 ( 0.000 5.415 6.922) 8.788 11.556 ( 0.000 -6.896 1.160) 6.993 11.889 ( 0.000 -2.416 -7.467) 7.848 12.071 ( 0.000 2.906 -1.878) 3.460 12.142 ( 0.000 -4.778 -13.169) 14.009 12.350 ( 0.000 0.779 -1.060) 1.315 12.516 ( 0.000 4.470 -0.926) 4.564 12.685 ( 0.000 28.441 -14.682) 32.008 12.756 ( 0.000 1.125 -3.109) 3.306 13.097 ( 0.000 -3.165 8.660) 9.220 13.885 ( 0.000 4.167 7.116) 8.246 14.996 ( 0.000 -35.989 39.927) 53.753 15.225 ( 0.000 -5.617 -1.483) 5.810 15.972 ( 0.000 -12.986 -0.465) 12.994 18.764 ( 0.000 8.501 -0.113) 8.502 18.801 ( 0.000 8.256 -0.088) 8.257 18.803 ( 0.000 14.612 -0.574) 14.624 19.859 ( 0.000 54.701 -57.662) 79.480 20.466 ( 0.000 -1.611 -0.781) 1.790 20.609 ( 0.000 -2.018 -0.112) 2.021 21.233 ( 0.000 0.598 -2.968) 3.027 21.349 ( 0.000 -3.063 -1.863) 3.585 22.090 ( 0.000 0.382 0.301) 0.486 22.271 ( 0.000 -0.596 -1.580) 1.689 22.710 ( 0.000 -0.382 -2.348) 2.379 22.975 ( 0.000 -1.850 -2.975) 3.503 23.208 ( 0.000 -0.607 8.201) 8.223 23.444 ( 0.000 1.655 5.777) 6.010 23.541 ( 0.000 -23.710 26.513) 35.568 24.603 ( 0.000 -18.299 4.976) 18.963 ======================= Grid point 51 (20/90) ======================= q-point: ( 0.25 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( 19.349 15.290 14.511) 28.613 1.073 ( 18.485 13.234 18.032) 29.017 1.765 ( 19.640 18.465 16.394) 31.550 1.888 ( -14.470 17.092 4.946) 22.934 2.008 ( -0.377 10.565 12.344) 16.253 2.562 ( 6.413 7.067 -1.584) 9.674 2.873 ( -6.207 3.792 -1.875) 7.512 3.180 ( 5.611 -4.098 -0.854) 7.001 3.214 ( 2.083 -5.582 -2.055) 6.303 3.236 ( -2.816 0.691 -6.626) 7.233 3.336 ( -10.433 3.155 -2.016) 11.085 3.526 ( 1.035 5.416 -3.165) 6.358 3.604 ( -4.834 2.321 0.046) 5.363 3.828 ( -0.156 -4.437 -0.741) 4.501 4.046 ( 1.992 0.141 -1.111) 2.286 4.212 ( -5.815 0.458 5.559) 8.058 4.430 ( -6.791 5.910 -2.133) 9.252 4.517 ( 0.088 -3.071 0.786) 3.172 4.749 ( 1.401 -1.076 -3.000) 3.481 4.788 ( -0.457 -2.287 -5.572) 6.040 4.797 ( -0.528 -4.577 -4.580) 6.496 4.909 ( -1.808 -1.543 -0.692) 2.476 5.068 ( 2.145 -3.919 -3.483) 5.664 5.160 ( 2.278 8.509 -4.599) 9.937 5.313 ( -4.833 -4.707 2.645) 7.246 5.347 ( -2.760 9.293 -1.867) 9.873 5.865 ( 2.193 4.742 -0.323) 5.234 5.905 ( 2.264 5.189 2.924) 6.372 6.049 ( 6.699 -1.169 0.182) 6.803 6.157 ( -1.760 7.982 4.997) 9.580 6.315 ( -2.657 5.034 -0.768) 5.744 6.347 ( -3.149 8.107 0.185) 8.699 6.636 ( 5.964 -3.373 -3.627) 7.752 6.913 ( -1.780 -5.068 0.034) 5.371 7.262 ( 2.520 -8.347 6.778) 11.043 7.402 ( -0.699 -1.543 -5.851) 6.092 7.456 ( -0.949 3.779 -7.166) 8.156 7.499 ( -1.792 0.726 -2.501) 3.161 7.783 ( 4.700 5.274 7.250) 10.123 8.072 ( 2.221 -10.134 0.491) 10.386 8.262 ( -3.408 -5.148 -2.484) 6.654 8.315 ( -5.255 -2.058 0.283) 5.651 8.437 ( 0.375 0.064 -0.657) 0.759 8.566 ( -1.040 -3.770 0.325) 3.924 8.678 ( 6.173 -10.385 3.252) 12.512 8.830 ( -0.523 -2.406 1.496) 2.881 9.041 ( 3.523 -8.268 -2.153) 9.242 9.136 ( -1.447 -0.513 1.636) 2.244 9.340 ( 2.691 7.438 -3.168) 8.521 9.603 ( -6.411 12.773 -9.511) 17.167 10.812 ( 2.386 5.025 -5.149) 7.580 10.927 ( 1.118 -2.193 -7.668) 8.053 11.032 ( 2.579 3.360 -0.362) 4.252 11.144 ( 1.780 -0.611 -5.143) 5.477 11.370 ( 4.346 -3.230 4.396) 6.975 11.588 ( 0.791 -9.937 2.478) 10.272 11.902 ( 0.713 -1.501 -7.201) 7.390 11.983 ( -4.400 2.826 -5.601) 7.663 12.207 ( 4.267 0.313 -7.335) 8.491 12.407 ( 2.722 0.824 -1.730) 3.329 12.585 ( -4.562 12.940 -1.129) 13.766 12.619 ( 7.067 5.980 -6.813) 11.495 12.720 ( -2.744 1.595 -5.085) 5.994 13.044 ( -5.501 -1.486 4.296) 7.136 13.920 ( 3.302 4.923 10.131) 11.738 14.374 ( -23.218 -1.423 30.756) 38.562 15.695 ( 14.616 -23.226 0.456) 27.446 15.954 ( -1.681 -14.009 -0.569) 14.121 18.762 ( -0.154 8.403 -0.078) 8.405 18.772 ( -0.873 9.134 -0.099) 9.176 18.861 ( 3.681 15.896 -0.906) 16.342 19.313 ( -23.918 42.293 -14.370) 50.668 20.489 ( 1.985 -1.462 -0.428) 2.502 20.612 ( -2.077 -1.586 1.858) 3.206 21.179 ( 4.476 -3.242 -2.854) 6.220 21.512 ( -3.923 -3.207 -7.290) 8.878 22.183 ( 8.635 1.023 -2.328) 9.002 22.493 ( 8.024 -0.886 -6.257) 10.214 22.632 ( -3.278 -0.614 -5.968) 6.836 22.879 ( -6.241 -2.051 -3.483) 7.436 23.207 ( 3.820 0.203 8.460) 9.285 23.378 ( -2.077 0.934 4.781) 5.295 24.029 ( 22.882 -21.751 3.821) 31.801 24.548 ( -4.909 -16.720 3.614) 17.796 ======================= Grid point 52 (21/90) ======================= q-point: (-0.50 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( -17.870 13.620 8.727) 24.104 1.485 ( 17.870 13.620 8.727) 24.104 1.517 ( -17.002 8.584 11.785) 22.397 1.517 ( 17.002 8.584 11.785) 22.397 2.653 ( -23.277 9.166 3.927) 25.323 2.653 ( 23.277 9.166 3.927) 25.323 2.748 ( -9.302 7.495 1.715) 12.068 2.748 ( 9.302 7.495 1.715) 12.068 3.244 ( -0.077 -6.822 -0.591) 6.848 3.244 ( 0.077 -6.822 -0.591) 6.848 3.414 ( -7.303 8.204 -3.792) 11.620 3.414 ( 7.303 8.204 -3.792) 11.620 3.671 ( -8.468 -3.003 -2.103) 9.228 3.671 ( 8.468 -3.003 -2.103) 9.228 4.143 ( -5.756 -1.584 3.356) 6.849 4.143 ( 5.756 -1.584 3.356) 6.849 4.430 ( -6.582 2.417 -1.732) 7.223 4.430 ( 6.582 2.417 -1.732) 7.223 4.764 ( -1.482 -2.343 -5.305) 5.985 4.764 ( 1.482 -2.343 -5.305) 5.985 4.853 ( -3.214 -3.730 -2.564) 5.552 4.853 ( 3.214 -3.730 -2.564) 5.552 5.131 ( -3.292 -2.453 -3.118) 5.155 5.131 ( 3.292 -2.453 -3.118) 5.155 5.290 ( -1.869 8.306 0.746) 8.547 5.290 ( 1.869 8.306 0.746) 8.547 5.919 ( -1.581 5.020 -0.224) 5.267 5.919 ( 1.581 5.020 -0.224) 5.267 6.124 ( -1.209 2.087 2.327) 3.352 6.124 ( 1.209 2.087 2.327) 3.352 6.292 ( -0.893 7.973 -0.672) 8.051 6.292 ( 0.893 7.973 -0.672) 8.051 6.808 ( -7.611 -5.991 0.242) 9.688 6.808 ( 7.611 -5.991 0.242) 9.688 7.346 ( -4.281 -5.376 -1.601) 7.056 7.346 ( 4.281 -5.376 -1.601) 7.056 7.457 ( -1.613 3.636 -3.426) 5.250 7.457 ( 1.613 3.636 -3.426) 5.250 7.962 ( -9.201 0.149 4.947) 10.448 7.962 ( 9.201 0.149 4.947) 10.448 8.246 ( -2.061 -5.893 -3.164) 6.999 8.246 ( 2.061 -5.893 -3.164) 6.999 8.502 ( -4.089 -0.538 -0.425) 4.147 8.502 ( 4.089 -0.538 -0.425) 4.147 8.794 ( -3.609 -10.392 2.165) 11.212 8.794 ( 3.609 -10.392 2.165) 11.212 9.093 ( -2.118 -4.272 -0.338) 4.780 9.093 ( 2.118 -4.272 -0.338) 4.780 9.443 ( -6.617 11.433 -3.932) 13.782 9.443 ( 6.617 11.433 -3.932) 13.782 10.881 ( -3.452 4.521 -5.931) 8.218 10.881 ( 3.452 4.521 -5.931) 8.218 11.102 ( -3.513 2.295 -1.362) 4.411 11.102 ( 3.513 2.295 -1.362) 4.411 11.529 ( -6.244 -12.860 1.853) 14.415 11.529 ( 6.244 -12.860 1.853) 14.415 11.920 ( -1.424 2.528 -5.774) 6.462 11.920 ( 1.424 2.528 -5.774) 6.462 12.335 ( -6.760 5.097 -6.263) 10.531 12.335 ( 6.760 5.097 -6.263) 10.531 12.606 ( -4.841 1.106 -1.087) 5.083 12.606 ( 4.841 1.106 -1.087) 5.083 12.857 ( -10.453 -0.066 -1.069) 10.508 12.857 ( 10.453 -0.066 -1.069) 10.508 14.045 ( -8.732 5.184 18.528) 21.129 14.045 ( 8.732 5.184 18.528) 21.129 15.888 ( -4.785 -17.385 -0.791) 18.049 15.888 ( 4.785 -17.385 -0.791) 18.049 18.761 ( -0.160 8.387 -0.039) 8.389 18.761 ( 0.160 8.387 -0.039) 8.389 18.985 ( -8.405 24.596 -2.874) 26.151 18.985 ( 8.405 24.596 -2.874) 26.151 20.548 ( -3.124 -1.561 0.977) 3.626 20.548 ( 3.124 -1.561 0.977) 3.626 21.341 ( -8.841 -3.413 -3.772) 10.200 21.341 ( 8.841 -3.413 -3.772) 10.200 22.387 ( -9.198 0.705 -0.819) 9.261 22.387 ( 9.198 0.705 -0.819) 9.261 22.744 ( -6.509 -1.604 -8.797) 11.060 22.744 ( 6.509 -1.604 -8.797) 11.060 23.309 ( -4.274 0.903 6.110) 7.511 23.309 ( 4.274 0.903 6.110) 7.511 24.383 ( -10.509 -16.631 0.636) 19.683 24.383 ( 10.509 -16.631 0.636) 19.683 ======================= Grid point 55 (22/90) ======================= q-point: ( 0.00 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( 0.000 23.683 13.092) 27.061 1.266 ( 0.000 24.475 10.317) 26.561 2.038 ( 0.000 25.774 13.426) 29.061 2.327 ( 0.000 18.415 7.615) 19.927 2.537 ( 0.000 23.278 2.848) 23.451 2.591 ( 0.000 5.834 1.305) 5.978 2.882 ( 0.000 -6.367 2.555) 6.860 2.960 ( 0.000 -8.459 -2.237) 8.750 3.034 ( 0.000 -9.915 3.530) 10.524 3.367 ( 0.000 1.785 -3.816) 4.213 3.527 ( 0.000 -2.409 -2.659) 3.588 3.542 ( 0.000 5.283 2.731) 5.947 3.628 ( 0.000 5.110 -0.225) 5.115 3.898 ( 0.000 9.069 -3.605) 9.759 4.018 ( 0.000 2.962 -11.133) 11.520 4.449 ( 0.000 -1.136 -3.095) 3.297 4.464 ( 0.000 4.026 -0.177) 4.030 4.494 ( 0.000 -9.336 -4.617) 10.416 4.592 ( 0.000 -6.343 0.192) 6.346 4.658 ( 0.000 -8.867 0.453) 8.879 4.712 ( 0.000 -5.517 0.790) 5.573 4.950 ( 0.000 -4.762 -4.970) 6.883 5.027 ( 0.000 1.244 -0.274) 1.274 5.224 ( 0.000 -9.431 4.132) 10.296 5.392 ( 0.000 19.792 -3.587) 20.114 5.553 ( 0.000 8.745 -3.699) 9.495 5.887 ( 0.000 5.564 -3.593) 6.623 6.012 ( 0.000 5.927 4.084) 7.197 6.026 ( 0.000 6.070 2.391) 6.524 6.400 ( 0.000 -2.644 -0.258) 2.657 6.412 ( 0.000 12.846 3.008) 13.193 6.461 ( 0.000 7.075 1.411) 7.214 6.646 ( 0.000 6.096 -8.685) 10.611 6.921 ( 0.000 1.503 1.037) 1.826 7.053 ( 0.000 -6.187 5.492) 8.273 7.331 ( 0.000 -6.821 -5.846) 8.984 7.502 ( 0.000 -1.434 -0.781) 1.633 7.577 ( 0.000 3.786 -8.180) 9.013 7.717 ( 0.000 -13.789 1.701) 13.894 7.883 ( 0.000 2.080 4.178) 4.667 8.128 ( 0.000 -7.009 -1.723) 7.218 8.362 ( 0.000 -5.021 0.230) 5.026 8.371 ( 0.000 -8.439 -0.309) 8.445 8.417 ( 0.000 -6.438 4.498) 7.854 8.502 ( 0.000 -0.560 2.617) 2.676 8.812 ( 0.000 -0.633 -2.266) 2.353 8.949 ( 0.000 0.300 0.492) 0.577 9.032 ( 0.000 -10.118 0.678) 10.141 9.520 ( 0.000 13.545 -0.718) 13.564 9.899 ( 0.000 9.256 -11.360) 14.653 10.645 ( 0.000 -9.541 -4.478) 10.539 10.814 ( 0.000 -4.929 -6.650) 8.277 11.117 ( 0.000 7.524 -0.649) 7.552 11.171 ( 0.000 3.148 -6.682) 7.386 11.372 ( 0.000 -7.302 1.831) 7.528 11.483 ( 0.000 5.314 8.179) 9.754 11.899 ( 0.000 2.663 -5.441) 6.058 12.029 ( 0.000 -5.920 -10.734) 12.259 12.102 ( 0.000 0.533 3.534) 3.574 12.372 ( 0.000 1.423 -1.668) 2.192 12.521 ( 0.000 -1.020 1.585) 1.885 12.715 ( 0.000 -6.386 -4.529) 7.829 13.072 ( 0.000 1.749 9.663) 9.820 13.149 ( 0.000 14.738 -18.727) 23.831 14.020 ( 0.000 10.033 5.353) 11.371 14.626 ( 0.000 -5.247 28.778) 29.252 15.068 ( 0.000 -10.041 -0.811) 10.073 15.656 ( 0.000 -17.915 1.137) 17.951 18.998 ( 0.000 14.731 -0.560) 14.742 19.019 ( 0.000 13.038 0.067) 13.038 19.139 ( 0.000 17.369 -1.428) 17.428 20.217 ( 0.000 -6.997 -9.708) 11.967 20.559 ( 0.000 -2.535 -0.485) 2.581 20.650 ( 0.000 13.733 -29.076) 32.156 21.248 ( 0.000 0.837 -4.138) 4.222 21.278 ( 0.000 -3.230 -5.610) 6.473 22.106 ( 0.000 1.328 -0.181) 1.341 22.254 ( 0.000 -1.201 -1.407) 1.850 22.704 ( 0.000 -0.185 -1.213) 1.227 22.902 ( 0.000 -5.439 2.059) 5.816 23.191 ( 0.000 -1.067 8.346) 8.413 23.224 ( 0.000 -8.002 23.805) 25.114 23.499 ( 0.000 3.999 4.605) 6.099 24.290 ( 0.000 -14.740 1.230) 14.791 ======================= Grid point 56 (23/90) ======================= q-point: ( 0.25 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( 13.992 19.552 11.327) 26.577 1.422 ( 12.826 20.542 11.316) 26.731 2.045 ( -8.985 11.468 6.052) 15.776 2.234 ( -17.436 15.764 4.351) 23.905 2.439 ( 16.871 25.576 11.411) 32.695 2.742 ( 5.724 8.278 0.554) 10.080 2.893 ( 0.504 -1.478 1.256) 2.004 3.008 ( 2.298 -9.437 -0.292) 9.717 3.053 ( 1.483 -9.549 1.502) 9.780 3.257 ( -7.980 0.069 -3.016) 8.532 3.477 ( 1.110 9.217 -2.597) 9.640 3.601 ( 0.223 6.315 -2.905) 6.955 3.724 ( 3.985 0.579 1.034) 4.158 3.811 ( -5.463 8.262 -1.625) 10.037 4.045 ( 1.467 1.035 -6.320) 6.570 4.285 ( -11.786 6.063 4.331) 13.944 4.441 ( -2.047 -4.167 -3.531) 5.833 4.506 ( 1.902 1.257 -0.510) 2.336 4.630 ( 0.845 -9.956 -3.135) 10.472 4.658 ( 3.682 -7.598 -4.510) 9.572 4.704 ( -1.397 -5.673 1.306) 5.986 4.890 ( -4.280 -3.069 -5.520) 7.630 5.038 ( 0.561 -0.141 0.831) 1.013 5.149 ( -5.113 -6.902 4.190) 9.557 5.439 ( 3.149 14.973 -3.791) 15.764 5.535 ( -1.450 9.607 -3.593) 10.359 5.948 ( 3.314 3.737 -3.698) 6.214 6.014 ( 0.053 2.876 -0.194) 2.883 6.101 ( 5.933 7.844 4.283) 10.727 6.352 ( -4.189 10.602 2.166) 11.604 6.453 ( 1.180 8.276 0.738) 8.392 6.495 ( 5.109 4.315 1.249) 6.803 6.611 ( -1.928 4.234 -6.658) 8.122 6.853 ( -5.298 -0.198 0.264) 5.308 7.107 ( 4.202 -6.860 3.645) 8.832 7.287 ( -3.129 -7.831 -4.515) 9.566 7.492 ( -0.770 -1.703 -0.826) 2.043 7.517 ( -2.834 -1.037 -2.730) 4.070 7.819 ( 6.098 -6.852 -1.531) 9.299 7.912 ( 1.724 -3.111 1.516) 3.867 8.118 ( -0.711 -6.277 -1.482) 6.489 8.244 ( -6.965 -3.854 1.614) 8.123 8.417 ( 3.930 -2.948 -0.109) 4.914 8.449 ( 3.822 -5.652 1.697) 7.030 8.584 ( 2.383 -2.342 2.710) 4.302 8.749 ( -5.247 -3.046 -1.002) 6.150 8.951 ( 0.610 -2.226 0.563) 2.376 9.019 ( -1.170 -9.111 0.609) 9.206 9.561 ( 3.658 13.280 -1.557) 13.862 9.821 ( -6.010 10.351 -7.952) 14.370 10.756 ( 6.922 -12.215 -6.605) 15.516 10.834 ( 1.464 -6.066 -6.837) 9.256 11.129 ( 1.109 6.365 -1.270) 6.585 11.178 ( 0.241 3.213 -5.783) 6.620 11.360 ( -0.432 -3.367 1.733) 3.811 11.453 ( -2.555 1.576 5.627) 6.378 11.916 ( 1.359 2.430 -5.850) 6.478 11.983 ( -2.035 -1.256 -7.022) 7.418 12.205 ( 7.299 -1.039 2.648) 7.834 12.414 ( 2.867 1.232 -1.215) 3.349 12.585 ( 3.836 -2.487 5.465) 7.125 12.690 ( -0.044 -4.543 -6.587) 8.002 12.883 ( -12.693 7.936 -1.675) 15.063 13.077 ( -7.611 4.694 -5.021) 10.255 14.075 ( 4.606 11.007 7.275) 13.975 14.410 ( -11.470 5.756 20.640) 24.305 15.297 ( 12.531 -17.569 1.713) 21.648 15.623 ( -3.065 -18.401 1.088) 18.686 18.992 ( -0.478 14.368 -0.431) 14.382 18.996 ( -1.099 13.355 -0.019) 13.400 19.227 ( 7.256 18.219 -2.071) 19.720 19.902 ( -23.390 13.212 -12.548) 29.649 20.495 ( -0.716 2.831 -4.098) 5.032 20.600 ( -3.540 2.905 -0.408) 4.597 21.084 ( 3.046 -6.295 -1.600) 7.174 21.420 ( -4.781 -5.988 -7.094) 10.442 22.213 ( 8.519 2.026 -2.415) 9.084 22.463 ( 10.655 -2.338 -7.613) 13.303 22.622 ( -5.382 -0.169 -2.488) 5.932 22.820 ( -5.146 -3.811 -1.421) 6.560 23.214 ( 5.159 0.574 8.775) 10.195 23.401 ( 1.045 0.774 4.482) 4.666 23.644 ( 17.470 -13.423 13.907) 26.053 24.227 ( -5.848 -15.792 1.896) 16.947 ======================= Grid point 57 (24/90) ======================= q-point: (-0.50 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( -14.429 14.332 9.778) 22.566 1.724 ( 14.429 14.332 9.778) 22.566 1.803 ( -17.863 15.376 7.559) 24.752 1.803 ( 17.863 15.376 7.559) 24.752 2.822 ( -2.978 -0.453 0.791) 3.114 2.822 ( 2.978 -0.453 0.791) 3.114 2.923 ( -10.174 7.239 0.018) 12.487 2.923 ( 10.174 7.239 0.018) 12.487 3.102 ( -3.311 0.212 1.749) 3.750 3.102 ( 3.311 0.212 1.749) 3.750 3.562 ( -5.314 6.034 -4.294) 9.116 3.562 ( 5.314 6.034 -4.294) 9.116 3.714 ( -3.046 8.036 0.735) 8.626 3.714 ( 3.046 8.036 0.735) 8.626 4.111 ( -5.239 -0.179 2.378) 5.756 4.111 ( 5.239 -0.179 2.378) 5.756 4.470 ( -3.778 -0.026 -3.739) 5.315 4.470 ( 3.778 -0.026 -3.739) 5.315 4.660 ( -2.108 -6.135 1.018) 6.567 4.660 ( 2.108 -6.135 1.018) 6.567 4.780 ( -5.653 -4.969 -6.580) 9.997 4.780 ( 5.653 -4.969 -6.580) 9.997 5.061 ( -2.222 -3.644 2.551) 4.972 5.061 ( 2.222 -3.644 2.551) 4.972 5.496 ( -2.047 11.326 -3.448) 12.015 5.496 ( 2.047 11.326 -3.448) 12.015 6.002 ( -1.416 2.296 -2.583) 3.734 6.002 ( 1.416 2.296 -2.583) 3.734 6.235 ( -5.858 9.568 3.154) 11.654 6.235 ( 5.858 9.568 3.154) 11.654 6.499 ( -2.950 11.959 -1.531) 12.412 6.499 ( 2.950 11.959 -1.531) 12.412 6.706 ( -7.722 -3.183 -0.285) 8.357 6.706 ( 7.722 -3.183 -0.285) 8.357 7.207 ( -4.219 -8.105 -0.996) 9.192 7.207 ( 4.219 -8.105 -0.996) 9.192 7.482 ( -0.353 -1.720 -0.885) 1.966 7.482 ( 0.353 -1.720 -0.885) 1.966 7.920 ( -2.003 -6.663 -1.090) 7.042 7.920 ( 2.003 -6.663 -1.090) 7.042 8.127 ( -2.731 -3.638 0.142) 4.551 8.127 ( 2.731 -3.638 0.142) 4.551 8.507 ( -1.975 0.322 -0.533) 2.071 8.507 ( 1.975 0.322 -0.533) 2.071 8.620 ( -4.529 -6.374 2.336) 8.161 8.620 ( 4.529 -6.374 2.336) 8.161 8.983 ( -1.899 -6.334 0.600) 6.640 8.983 ( 1.899 -6.334 0.600) 6.640 9.675 ( -6.408 12.245 -3.962) 14.377 9.675 ( 6.408 12.245 -3.962) 14.377 10.849 ( -1.072 -9.952 -7.241) 12.354 10.849 ( 1.072 -9.952 -7.241) 12.354 11.162 ( -1.579 4.185 -3.087) 5.435 11.162 ( 1.579 4.185 -3.087) 5.435 11.387 ( -2.788 -1.121 2.159) 3.700 11.387 ( 2.788 -1.121 2.159) 3.700 11.948 ( -1.395 1.633 -5.843) 6.225 11.948 ( 1.395 1.633 -5.843) 6.225 12.389 ( -7.326 -0.886 3.285) 8.078 12.389 ( 7.326 -0.886 3.285) 8.078 12.635 ( -6.136 2.437 -0.673) 6.637 12.635 ( 6.136 2.437 -0.673) 6.637 12.858 ( -10.589 -0.141 -3.485) 11.149 12.858 ( 10.589 -0.141 -3.485) 11.149 14.207 ( -7.237 11.121 12.588) 18.289 14.207 ( 7.237 11.121 12.588) 18.289 15.514 ( -7.040 -19.277 1.153) 20.555 15.514 ( 7.040 -19.277 1.153) 20.555 18.984 ( -0.040 13.756 -0.182) 13.757 18.984 ( 0.040 13.756 -0.182) 13.757 19.464 ( -14.822 19.978 -4.955) 25.365 19.464 ( 14.822 19.978 -4.955) 25.365 20.527 ( -2.739 0.537 0.192) 2.797 20.527 ( 2.739 0.537 0.192) 2.797 21.239 ( -9.090 -6.865 -3.801) 12.009 21.239 ( 9.090 -6.865 -3.801) 12.009 22.411 ( -8.717 1.763 -1.082) 8.959 22.411 ( 8.717 1.763 -1.082) 8.959 22.696 ( -6.448 -3.242 -7.694) 10.549 22.696 ( 6.448 -3.242 -7.694) 10.549 23.339 ( -5.049 2.217 5.984) 8.138 23.339 ( 5.049 2.217 5.984) 8.138 24.018 ( -13.425 -18.167 5.307) 23.205 24.018 ( 13.425 -18.167 5.307) 23.205 ======================= Grid point 60 (25/90) ======================= q-point: ( 0.00 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( 0.000 24.501 6.644) 25.386 1.741 ( 0.000 23.098 5.139) 23.663 2.322 ( 0.000 7.356 5.065) 8.931 2.541 ( 0.000 -13.908 1.502) 13.988 2.574 ( 0.000 -5.699 2.072) 6.064 2.784 ( 0.000 -5.657 6.844) 8.879 2.885 ( 0.000 0.241 3.337) 3.345 2.895 ( 0.000 13.578 -0.173) 13.579 3.078 ( 0.000 24.125 6.334) 24.943 3.293 ( 0.000 -2.633 4.675) 5.365 3.452 ( 0.000 -5.144 1.748) 5.433 3.685 ( 0.000 0.234 -2.388) 2.399 3.786 ( 0.000 13.919 0.259) 13.921 4.050 ( 0.000 6.659 -5.326) 8.527 4.174 ( 0.000 9.398 -7.660) 12.124 4.275 ( 0.000 -9.609 -6.105) 11.384 4.322 ( 0.000 -13.610 -2.788) 13.893 4.408 ( 0.000 -5.507 -2.432) 6.020 4.467 ( 0.000 -7.345 -2.565) 7.780 4.636 ( 0.000 -3.193 -2.321) 3.947 4.673 ( 0.000 9.011 4.661) 10.145 4.844 ( 0.000 -3.463 -0.295) 3.476 5.000 ( 0.000 -4.350 0.249) 4.357 5.045 ( 0.000 -8.457 4.870) 9.759 5.728 ( 0.000 9.037 -3.133) 9.565 5.776 ( 0.000 16.899 -6.258) 18.020 6.031 ( 0.000 6.464 -5.250) 8.328 6.051 ( 0.000 -2.292 0.229) 2.303 6.141 ( 0.000 6.114 0.442) 6.130 6.350 ( 0.000 -2.194 2.038) 2.995 6.634 ( 0.000 10.528 -1.105) 10.586 6.676 ( 0.000 12.955 2.464) 13.187 6.754 ( 0.000 4.593 -9.646) 10.683 6.986 ( 0.000 -0.627 2.514) 2.591 6.993 ( 0.000 4.796 1.536) 5.036 7.166 ( 0.000 -9.803 -2.520) 10.122 7.415 ( 0.000 -11.969 -0.842) 11.999 7.501 ( 0.000 -1.101 2.009) 2.291 7.512 ( 0.000 -9.969 -3.694) 10.632 7.777 ( 0.000 -9.958 -4.097) 10.768 8.158 ( 0.000 6.182 3.133) 6.930 8.252 ( 0.000 -3.516 -0.257) 3.525 8.279 ( 0.000 -2.510 4.210) 4.901 8.368 ( 0.000 2.906 1.414) 3.232 8.425 ( 0.000 -6.179 1.506) 6.360 8.790 ( 0.000 -11.400 1.269) 11.470 8.855 ( 0.000 1.554 0.052) 1.555 8.942 ( 0.000 -0.982 0.646) 1.175 9.819 ( 0.000 16.796 -1.537) 16.866 10.077 ( 0.000 8.953 -9.169) 12.815 10.457 ( 0.000 -9.461 -5.538) 10.963 10.568 ( 0.000 -17.627 -4.209) 18.122 11.228 ( 0.000 2.577 -6.745) 7.221 11.257 ( 0.000 4.171 -0.301) 4.182 11.335 ( 0.000 3.694 -3.138) 4.847 11.540 ( 0.000 -0.438 5.746) 5.763 11.941 ( 0.000 -2.110 -5.053) 5.476 11.958 ( 0.000 1.737 -0.492) 1.806 12.132 ( 0.000 4.332 4.189) 6.026 12.401 ( 0.000 1.082 -1.802) 2.102 12.492 ( 0.000 -1.759 -1.546) 2.342 12.532 ( 0.000 -10.542 -1.920) 10.715 13.148 ( 0.000 5.036 5.924) 7.775 13.286 ( 0.000 0.855 -5.651) 5.715 14.275 ( 0.000 14.851 1.115) 14.893 14.684 ( 0.000 9.400 15.435) 18.072 14.839 ( 0.000 -12.850 -0.066) 12.850 15.294 ( 0.000 -18.391 3.049) 18.642 19.278 ( 0.000 12.248 0.039) 12.248 19.323 ( 0.000 17.568 -1.195) 17.608 19.415 ( 0.000 9.081 -1.206) 9.160 19.992 ( 0.000 -14.355 -3.242) 14.716 20.536 ( 0.000 1.105 -1.534) 1.890 20.739 ( 0.000 -3.218 -11.953) 12.379 21.251 ( 0.000 0.325 -11.400) 11.405 21.262 ( 0.000 0.487 -6.388) 6.406 22.141 ( 0.000 2.112 -0.914) 2.301 22.224 ( 0.000 -1.778 -1.295) 2.200 22.707 ( 0.000 0.677 0.481) 0.831 22.797 ( 0.000 -4.392 4.909) 6.587 23.152 ( 0.000 -0.992 13.122) 13.160 23.169 ( 0.000 -1.098 8.583) 8.653 23.606 ( 0.000 7.003 3.342) 7.759 24.012 ( 0.000 -13.264 1.050) 13.305 ======================= Grid point 61 (26/90) ======================= q-point: ( 0.25 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( 8.642 21.717 6.002) 24.132 1.843 ( 8.695 21.462 6.889) 24.160 2.282 ( -6.550 12.310 5.109) 14.850 2.474 ( -12.999 6.436 3.596) 14.944 2.556 ( 2.149 -11.163 2.008) 11.544 2.661 ( -1.179 -10.855 2.666) 11.240 2.803 ( -0.740 -11.178 5.599) 12.524 2.895 ( -8.183 -5.250 0.703) 9.748 3.198 ( 10.473 22.098 1.919) 24.530 3.340 ( 5.563 10.623 1.137) 12.045 3.598 ( 6.778 0.210 -0.259) 6.786 3.683 ( 0.365 0.325 -1.048) 1.157 3.811 ( 2.450 11.065 1.508) 11.433 3.999 ( -4.526 8.932 -2.353) 10.287 4.131 ( -1.599 6.563 -8.793) 11.089 4.284 ( 0.872 -5.752 -6.799) 8.948 4.372 ( 2.207 -12.283 -0.064) 12.480 4.444 ( -2.277 -1.968 -0.804) 3.115 4.463 ( -0.159 -6.797 -1.844) 7.044 4.604 ( -0.412 0.101 1.169) 1.244 4.614 ( -0.694 3.122 -0.168) 3.203 4.819 ( -3.008 -2.081 -1.144) 3.832 4.981 ( -1.790 -6.372 3.238) 7.368 5.003 ( -2.826 -7.210 4.277) 8.846 5.717 ( -0.366 8.978 -3.544) 9.659 5.762 ( -1.509 15.484 -4.874) 16.303 5.985 ( -0.677 -1.648 -1.927) 2.624 6.045 ( -1.126 0.942 -4.156) 4.408 6.268 ( 8.067 7.713 1.193) 11.224 6.447 ( 6.947 0.058 -0.926) 7.008 6.610 ( -3.250 8.593 -1.639) 9.332 6.660 ( -0.118 9.402 0.629) 9.424 6.758 ( 0.439 9.475 -5.595) 11.012 6.925 ( -5.114 6.228 0.285) 8.063 7.011 ( 1.625 -2.282 2.099) 3.501 7.118 ( -3.122 -8.610 -1.625) 9.302 7.390 ( -0.656 -8.298 -0.180) 8.326 7.469 ( -2.578 -0.957 1.635) 3.199 7.594 ( 4.858 -14.077 -4.128) 15.453 7.754 ( -1.950 -11.835 -3.771) 12.574 8.119 ( -1.149 3.636 2.085) 4.346 8.217 ( -4.085 1.658 2.917) 5.286 8.315 ( 3.713 -5.683 1.573) 6.968 8.423 ( 3.437 -2.394 0.219) 4.195 8.489 ( 4.496 -1.268 2.432) 5.267 8.778 ( -5.012 3.424 -0.087) 6.070 8.818 ( 1.007 -10.198 1.459) 10.351 8.912 ( -2.352 -2.171 0.831) 3.307 9.851 ( 2.814 16.213 -2.293) 16.614 10.031 ( -3.671 11.099 -7.166) 13.712 10.505 ( 3.387 -12.886 -6.073) 14.642 10.576 ( 0.390 -17.395 -4.483) 17.967 11.236 ( 0.647 3.328 -5.501) 6.462 11.264 ( 0.319 5.102 -2.092) 5.524 11.337 ( 0.635 1.137 -3.415) 3.655 11.483 ( -4.317 -0.750 2.142) 4.877 11.956 ( 2.274 1.761 -1.976) 3.489 12.019 ( 2.619 4.263 -2.633) 5.653 12.169 ( 3.723 -1.031 6.698) 7.732 12.442 ( -3.209 -3.265 -0.273) 4.586 12.489 ( 5.384 -2.801 1.083) 6.165 12.599 ( 7.501 -3.510 -4.236) 9.302 13.002 ( -11.913 5.211 3.534) 13.475 13.132 ( -11.959 0.070 -3.414) 12.437 14.341 ( 5.209 15.205 3.261) 16.399 14.596 ( -5.305 12.555 11.008) 17.520 14.973 ( 8.337 -15.742 2.155) 17.943 15.255 ( -3.443 -18.514 2.784) 19.036 19.268 ( -0.295 13.344 -0.140) 13.348 19.306 ( -1.316 16.863 -0.951) 16.941 19.491 ( 6.257 6.921 -1.728) 9.489 19.892 ( -8.407 -9.468 -3.964) 13.268 20.544 ( 1.362 3.837 -2.100) 4.581 20.765 ( -2.327 6.312 -9.861) 11.937 20.964 ( -5.737 -2.329 -0.044) 6.192 21.279 ( -7.376 -8.214 -6.813) 12.973 22.262 ( 8.812 2.953 -2.851) 9.721 22.402 ( 11.212 -3.649 -6.443) 13.436 22.633 ( -5.867 1.345 -0.198) 6.022 22.741 ( -4.284 -3.865 0.124) 5.771 23.233 ( 7.073 1.397 8.932) 11.479 23.351 ( 12.484 -4.867 9.807) 16.605 23.570 ( -2.590 3.977 6.023) 7.668 23.935 ( -6.926 -13.424 2.362) 15.290 ======================= Grid point 62 (27/90) ======================= q-point: (-0.50 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( -12.465 17.186 6.699) 22.262 2.043 ( 12.465 17.186 6.699) 22.262 2.109 ( -14.470 15.995 5.893) 22.360 2.109 ( 14.470 15.995 5.893) 22.360 2.679 ( -7.131 -12.598 1.109) 14.519 2.679 ( 7.131 -12.598 1.109) 14.519 2.748 ( -3.806 -14.300 2.965) 15.092 2.748 ( 3.806 -14.300 2.965) 15.092 3.390 ( -3.528 16.254 -3.586) 17.015 3.390 ( 3.528 16.254 -3.586) 17.015 3.687 ( -2.601 3.757 -1.111) 4.702 3.687 ( 2.601 3.757 -1.111) 4.702 3.886 ( -4.637 10.059 1.677) 11.203 3.886 ( 4.637 10.059 1.677) 11.203 4.178 ( -6.838 6.621 -2.881) 9.944 4.178 ( 6.838 6.621 -2.881) 9.944 4.391 ( -2.249 -7.714 -1.291) 8.138 4.391 ( 2.249 -7.714 -1.291) 8.138 4.544 ( -4.240 -6.516 -1.749) 7.968 4.544 ( 4.240 -6.516 -1.749) 7.968 4.711 ( -5.926 0.216 -0.150) 5.932 4.711 ( 5.926 0.216 -0.150) 5.932 4.958 ( -0.758 -7.039 4.161) 8.212 4.958 ( 0.758 -7.039 4.161) 8.212 5.726 ( -1.227 11.388 -3.954) 12.117 5.726 ( 1.227 11.388 -3.954) 12.117 6.008 ( -1.976 -1.896 -2.943) 4.020 6.008 ( 1.976 -1.896 -2.943) 4.020 6.442 ( -7.006 9.843 -0.852) 12.112 6.442 ( 7.006 9.843 -0.852) 12.112 6.633 ( -3.656 0.787 -2.247) 4.363 6.633 ( 3.656 0.787 -2.247) 4.363 6.801 ( -4.453 12.134 -0.681) 12.943 6.801 ( 4.453 12.134 -0.681) 12.943 7.057 ( -2.379 -6.014 -0.128) 6.468 7.057 ( 2.379 -6.014 -0.128) 6.468 7.407 ( -2.245 -4.263 0.976) 4.916 7.407 ( 2.245 -4.263 0.976) 4.916 7.691 ( -3.743 -14.444 -3.977) 15.442 7.691 ( 3.743 -14.444 -3.977) 15.442 8.137 ( -2.640 3.566 2.092) 4.906 8.137 ( 2.640 3.566 2.092) 4.906 8.407 ( -3.793 -8.352 1.465) 9.289 8.407 ( 3.793 -8.352 1.465) 9.289 8.632 ( -7.185 4.987 0.908) 8.793 8.632 ( 7.185 4.987 0.908) 8.793 8.859 ( -2.200 -6.050 1.025) 6.518 8.859 ( 2.200 -6.050 1.025) 6.518 9.936 ( -4.486 14.298 -4.300) 15.590 9.936 ( 4.486 14.298 -4.300) 15.590 10.566 ( -1.615 -16.499 -5.451) 17.451 10.566 ( 1.615 -16.499 -5.451) 17.451 11.255 ( -0.928 4.769 -4.218) 6.434 11.255 ( 0.928 4.769 -4.218) 6.434 11.387 ( -3.777 -0.776 -2.021) 4.354 11.387 ( 3.777 -0.776 -2.021) 4.354 12.016 ( -2.353 5.532 -1.262) 6.143 12.016 ( 2.353 5.532 -1.262) 6.143 12.304 ( -7.362 -6.745 4.793) 11.076 12.304 ( 7.362 -6.745 4.793) 11.076 12.706 ( -12.753 4.228 0.210) 13.437 12.706 ( 12.753 4.228 0.210) 13.437 12.840 ( -13.078 -1.833 -2.271) 13.400 12.840 ( 13.078 -1.833 -2.271) 13.400 14.471 ( -5.973 15.204 7.163) 17.837 14.471 ( 5.973 15.204 7.163) 17.837 15.143 ( -6.588 -18.264 2.299) 19.552 15.143 ( 6.588 -18.264 2.299) 19.552 19.277 ( -1.054 15.160 -0.510) 15.205 19.277 ( 1.054 15.160 -0.510) 15.205 19.674 ( -9.897 0.783 -3.157) 10.418 19.674 ( 9.897 0.783 -3.157) 10.418 20.620 ( -5.788 9.259 -2.064) 11.113 20.620 ( 5.788 9.259 -2.064) 11.113 21.071 ( -9.476 -10.127 -3.801) 14.381 21.071 ( 9.476 -10.127 -3.801) 14.381 22.459 ( -8.144 3.118 -1.906) 8.926 22.459 ( 8.144 3.118 -1.906) 8.926 22.619 ( -6.782 -4.355 -5.743) 9.897 22.619 ( 6.782 -4.355 -5.743) 9.897 23.401 ( -6.800 4.251 6.148) 10.105 23.401 ( 6.800 4.251 6.148) 10.105 23.711 ( -12.696 -12.659 7.005) 19.248 23.711 ( 12.696 -12.659 7.005) 19.248 ======================= Grid point 65 (28/90) ======================= q-point: ( 0.00 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( 0.000 -3.367 0.419) 3.393 2.097 ( 0.000 3.367 0.419) 3.393 2.230 ( 0.000 -0.228 5.581) 5.586 2.230 ( 0.000 0.228 5.581) 5.586 2.610 ( 0.000 -9.103 5.276) 10.521 2.610 ( 0.000 9.103 5.276) 10.521 2.973 ( 0.000 -3.942 2.134) 4.482 2.973 ( 0.000 3.942 2.134) 4.482 3.324 ( 0.000 -7.183 4.250) 8.346 3.324 ( 0.000 7.183 4.250) 8.346 3.562 ( 0.000 -16.116 0.285) 16.119 3.562 ( 0.000 16.116 0.285) 16.119 4.030 ( 0.000 -11.414 3.661) 11.987 4.030 ( 0.000 11.414 3.661) 11.987 4.155 ( 0.000 -2.987 -7.499) 8.072 4.155 ( 0.000 2.987 -7.499) 8.072 4.293 ( 0.000 -3.722 -0.962) 3.844 4.293 ( 0.000 3.722 -0.962) 3.844 4.498 ( 0.000 -9.118 -9.472) 13.147 4.498 ( 0.000 9.118 -9.472) 13.147 4.846 ( 0.000 -5.304 4.840) 7.180 4.846 ( 0.000 5.304 4.840) 7.180 4.906 ( 0.000 -2.813 1.578) 3.225 4.906 ( 0.000 2.813 1.578) 3.225 5.895 ( 0.000 -6.447 -4.112) 7.647 5.895 ( 0.000 6.447 -4.112) 7.647 6.049 ( 0.000 -3.996 -4.051) 5.691 6.049 ( 0.000 3.996 -4.051) 5.691 6.276 ( 0.000 -5.943 1.431) 6.113 6.276 ( 0.000 5.943 1.431) 6.113 6.792 ( 0.000 -2.907 -8.143) 8.646 6.792 ( 0.000 2.907 -8.143) 8.646 6.937 ( 0.000 -13.211 0.119) 13.212 6.937 ( 0.000 13.211 0.119) 13.212 7.020 ( 0.000 -3.073 2.950) 4.260 7.020 ( 0.000 3.073 2.950) 4.260 7.310 ( 0.000 -5.735 -0.777) 5.787 7.310 ( 0.000 5.735 -0.777) 5.787 7.581 ( 0.000 -8.404 -0.518) 8.420 7.581 ( 0.000 8.404 -0.518) 8.420 8.222 ( 0.000 -0.358 0.500) 0.615 8.222 ( 0.000 0.358 0.500) 0.615 8.302 ( 0.000 -5.310 1.537) 5.528 8.302 ( 0.000 5.310 1.537) 5.528 8.538 ( 0.000 -12.280 3.158) 12.680 8.538 ( 0.000 12.280 3.158) 12.680 8.908 ( 0.000 -2.452 0.459) 2.495 8.908 ( 0.000 2.452 0.459) 2.495 10.164 ( 0.000 -14.488 -5.087) 15.355 10.164 ( 0.000 14.488 -5.087) 15.355 10.286 ( 0.000 -4.516 -4.772) 6.570 10.286 ( 0.000 4.516 -4.772) 6.570 11.268 ( 0.000 -1.254 -5.058) 5.212 11.268 ( 0.000 1.254 -5.058) 5.212 11.463 ( 0.000 -6.550 -0.056) 6.550 11.463 ( 0.000 6.550 -0.056) 6.550 11.947 ( 0.000 -1.684 1.790) 2.457 11.947 ( 0.000 1.684 1.790) 2.457 12.290 ( 0.000 -10.294 1.646) 10.425 12.290 ( 0.000 10.294 1.646) 10.425 12.457 ( 0.000 -1.558 -3.431) 3.768 12.457 ( 0.000 1.558 -3.431) 3.768 13.244 ( 0.000 -4.126 1.826) 4.512 13.244 ( 0.000 4.126 1.826) 4.512 14.569 ( 0.000 -14.463 0.247) 14.465 14.569 ( 0.000 14.463 0.247) 14.465 14.947 ( 0.000 -16.240 7.026) 17.695 14.947 ( 0.000 16.240 7.026) 17.695 19.456 ( 0.000 -4.443 -0.469) 4.468 19.456 ( 0.000 4.443 -0.469) 4.468 19.675 ( 0.000 -17.332 -1.836) 17.429 19.675 ( 0.000 17.332 -1.836) 17.429 20.619 ( 0.000 -6.709 -4.114) 7.870 20.619 ( 0.000 6.709 -4.114) 7.870 21.263 ( 0.000 -0.409 -9.726) 9.735 21.263 ( 0.000 0.409 -9.726) 9.735 22.185 ( 0.000 -2.184 -1.234) 2.508 22.185 ( 0.000 2.184 -1.234) 2.508 22.734 ( 0.000 -2.147 2.758) 3.495 22.734 ( 0.000 2.147 2.758) 3.495 23.151 ( 0.000 -0.608 9.599) 9.618 23.151 ( 0.000 0.608 9.599) 9.618 23.777 ( 0.000 -10.355 2.097) 10.565 23.777 ( 0.000 10.355 2.097) 10.565 ======================= Grid point 67 (29/90) ======================= q-point: ( 0.25 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( 6.549 -10.809 1.283) 12.704 2.170 ( 6.549 10.809 1.283) 12.703 2.282 ( 4.681 -10.390 5.256) 12.550 2.282 ( 4.681 10.390 5.256) 12.550 2.556 ( -4.930 -12.665 5.298) 14.587 2.556 ( -4.930 12.665 5.298) 14.587 2.736 ( -15.173 -9.408 3.294) 18.155 2.736 ( -15.173 9.408 3.294) 18.155 3.480 ( 8.742 -8.232 0.621) 12.024 3.480 ( 8.742 8.232 0.621) 12.024 3.632 ( 3.985 -9.120 -1.753) 10.106 3.632 ( 3.985 9.120 -1.753) 10.106 4.050 ( 2.686 -13.292 3.359) 13.970 4.050 ( 2.686 13.292 3.359) 13.970 4.168 ( 0.405 -6.588 -5.238) 8.427 4.168 ( 0.405 6.588 -5.238) 8.427 4.284 ( 0.558 -7.132 -2.135) 7.466 4.284 ( 0.558 7.132 -2.135) 7.466 4.505 ( -1.216 -6.075 -7.518) 9.742 4.505 ( -1.216 6.075 -7.518) 9.742 4.802 ( -2.733 -9.870 6.090) 11.916 4.802 ( -2.733 9.870 6.090) 11.916 4.872 ( -2.782 -5.506 2.180) 6.543 4.872 ( -2.782 5.506 2.180) 6.543 5.877 ( -0.145 -6.800 -2.966) 7.420 5.877 ( -0.145 6.800 -2.966) 7.420 6.002 ( -3.619 -6.314 -3.928) 8.270 6.002 ( -3.619 6.314 -3.928) 8.270 6.399 ( 8.883 -5.175 -0.758) 10.308 6.399 ( 8.883 5.175 -0.758) 10.308 6.733 ( -4.546 -3.151 -6.040) 8.190 6.733 ( -4.546 3.151 -6.040) 8.190 6.963 ( 1.244 -8.637 -0.264) 8.730 6.963 ( 1.244 8.637 -0.264) 8.730 7.001 ( -1.389 -1.634 1.981) 2.920 7.001 ( -1.389 1.634 1.981) 2.920 7.340 ( 2.837 -7.561 -1.404) 8.197 7.340 ( 2.837 7.561 -1.404) 8.197 7.536 ( -3.879 -8.414 -0.835) 9.303 7.536 ( -3.879 8.414 -0.835) 9.303 8.206 ( 0.197 -5.149 1.276) 5.308 8.206 ( 0.197 5.149 1.276) 5.308 8.299 ( -1.226 -6.150 2.239) 6.659 8.299 ( -1.226 6.150 2.239) 6.659 8.611 ( 5.558 -9.423 1.747) 11.079 8.611 ( 5.558 9.423 1.747) 11.079 8.857 ( -4.210 -3.441 0.611) 5.472 8.857 ( -4.210 3.441 0.611) 5.472 10.187 ( 1.962 -14.441 -4.955) 15.393 10.187 ( 1.962 14.441 -4.955) 15.393 10.277 ( -1.005 -8.608 -4.682) 9.850 10.277 ( -1.005 8.608 -4.682) 9.850 11.286 ( 1.638 -1.620 -5.009) 5.514 11.286 ( 1.638 1.620 -5.009) 5.514 11.418 ( -3.391 -5.164 -1.873) 6.455 11.418 ( -3.391 5.164 -1.873) 6.455 12.016 ( 5.487 -3.530 2.490) 6.983 12.016 ( 5.487 3.530 2.490) 6.983 12.265 ( -3.123 -9.372 2.596) 10.214 12.265 ( -3.123 9.372 2.596) 10.214 12.535 ( 7.763 -3.240 -2.894) 8.896 12.535 ( 7.763 3.240 -2.894) 8.896 13.092 ( -12.184 -3.668 1.226) 12.783 13.092 ( -12.184 3.668 1.226) 12.783 14.648 ( 6.125 -15.183 1.477) 16.438 14.648 ( 6.125 15.183 1.477) 16.438 14.905 ( -3.641 -16.252 6.142) 17.752 14.905 ( -3.641 16.252 6.142) 17.752 19.481 ( 2.223 -6.928 -0.707) 7.310 19.481 ( 2.223 6.928 -0.707) 7.310 19.634 ( -3.330 -15.561 -1.730) 16.007 19.634 ( -3.330 15.561 -1.730) 16.007 20.678 ( 5.199 -8.718 -3.654) 10.788 20.678 ( 5.199 8.718 -3.654) 10.788 21.098 ( -11.747 -10.016 -6.020) 16.570 21.098 ( -11.747 10.016 -6.020) 16.570 22.328 ( 9.880 -3.662 -4.147) 11.324 22.328 ( 9.880 3.662 -4.147) 11.324 22.674 ( -4.859 -2.806 0.299) 5.619 22.674 ( -4.859 2.806 0.299) 5.619 23.273 ( 9.719 -2.857 9.448) 13.852 23.273 ( 9.719 2.857 9.448) 13.852 23.708 ( -6.163 -9.458 3.434) 11.799 23.708 ( -6.163 9.458 3.434) 11.799 ======================= Grid point 69 (30/90) ======================= q-point: (-0.50 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.369 ( -8.314 -11.938 3.594) 14.985 2.369 ( 8.200 -11.918 3.594) 14.906 2.369 ( -8.200 11.918 3.594) 14.906 2.369 ( 8.314 11.938 3.594) 14.985 2.449 ( -6.193 -11.974 4.269) 14.140 2.449 ( 4.950 -11.829 4.269) 13.515 2.449 ( -4.950 11.829 4.269) 13.515 2.449 ( 6.193 11.974 4.269) 14.140 3.632 ( -3.521 -8.065 -2.780) 9.228 3.632 ( 2.508 -7.970 -2.780) 8.805 3.632 ( -2.508 7.970 -2.780) 8.805 3.632 ( 3.521 8.065 -2.780) 9.228 4.137 ( -3.210 -12.899 -0.930) 13.325 4.137 ( 3.119 -12.894 -0.930) 13.298 4.137 ( -3.119 12.894 -0.930) 13.298 4.137 ( 3.210 12.899 -0.930) 13.325 4.383 ( -7.875 -8.787 -2.355) 12.032 4.383 ( 7.665 -8.740 -2.355) 11.861 4.383 ( -7.665 8.740 -2.355) 11.861 4.383 ( 7.875 8.787 -2.355) 12.032 4.803 ( -2.683 -7.679 3.921) 9.030 4.803 ( 2.681 -7.679 3.921) 9.029 4.803 ( -2.681 7.679 3.921) 9.029 4.803 ( 2.683 7.679 3.921) 9.030 5.917 ( -3.363 -7.377 -3.214) 8.721 5.917 ( 3.275 -7.367 -3.214) 8.679 5.917 ( -3.275 7.367 -3.214) 8.679 5.917 ( 3.363 7.377 -3.214) 8.721 6.595 ( -7.574 -5.171 -3.370) 9.771 6.595 ( 1.876 -3.644 -3.370) 5.307 6.595 ( -1.876 3.644 -3.370) 5.307 6.595 ( 7.574 5.171 -3.370) 9.771 6.979 ( -0.481 -4.505 0.365) 4.545 6.979 ( 0.473 -4.505 0.365) 4.544 6.979 ( -0.473 4.505 0.365) 4.544 6.979 ( 0.481 4.505 0.365) 4.545 7.431 ( -4.941 -9.083 -1.430) 10.438 7.431 ( 4.872 -9.074 -1.430) 10.398 7.431 ( -4.872 9.074 -1.430) 10.398 7.431 ( 4.941 9.083 -1.430) 10.438 8.247 ( -2.867 -7.297 2.115) 8.121 8.247 ( 2.861 -7.297 2.115) 8.118 8.247 ( -2.861 7.297 2.115) 8.118 8.247 ( 2.867 7.297 2.115) 8.121 8.743 ( -5.822 -5.816 0.892) 8.278 8.743 ( 5.822 -5.816 0.892) 8.278 8.743 ( -5.822 5.816 0.892) 8.278 8.743 ( 5.822 5.816 0.892) 8.278 10.239 ( -1.911 -16.238 -4.705) 17.014 10.239 ( 1.786 -16.235 -4.705) 16.997 10.239 ( -1.786 16.235 -4.705) 16.997 10.239 ( 1.911 16.238 -4.705) 17.014 11.340 ( -2.912 -3.601 -4.181) 6.239 11.340 ( 1.807 -3.416 -4.181) 5.693 11.340 ( -1.807 3.416 -4.181) 5.693 11.340 ( 2.912 3.601 -4.181) 6.239 12.154 ( -5.636 -7.746 2.852) 9.995 12.154 ( 3.568 -7.433 2.852) 8.724 12.154 ( -3.568 7.433 2.852) 8.724 12.154 ( 5.636 7.746 2.852) 9.995 12.786 ( -13.848 -3.553 -0.461) 14.304 12.786 ( -13.828 3.533 -0.461) 14.279 12.786 ( 13.828 -3.533 -0.461) 14.279 12.786 ( 13.848 3.553 -0.461) 14.304 14.793 ( -5.942 -17.162 3.945) 18.585 14.793 ( 5.625 -17.136 3.945) 18.462 14.793 ( -5.625 17.136 3.945) 18.462 14.793 ( 5.942 17.162 3.945) 18.585 19.550 ( -3.777 -11.476 -1.270) 12.148 19.550 ( 3.763 -11.475 -1.270) 12.143 19.550 ( -3.763 11.475 -1.270) 12.143 19.550 ( 3.777 11.476 -1.270) 12.148 20.846 ( -9.549 -12.196 -3.521) 15.885 20.846 ( 8.123 -11.935 -3.521) 14.860 20.846 ( -8.123 11.935 -3.521) 14.860 20.846 ( 9.549 12.196 -3.521) 15.885 22.532 ( -7.817 -4.181 -3.538) 9.545 22.532 ( 0.154 -1.485 -3.538) 3.840 22.532 ( -0.154 1.485 -3.538) 3.840 22.532 ( 7.817 4.181 -3.538) 9.545 23.515 ( -10.360 -7.385 6.716) 14.386 23.515 ( 3.949 -5.622 6.716) 9.607 23.515 ( -3.949 5.622 6.716) 9.607 23.515 ( 10.360 7.385 6.716) 14.386 ======================= Grid point 90 (31/90) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( 0.000 0.000 26.088) 26.088 1.113 ( 0.000 0.000 27.714) 27.714 1.906 ( 0.000 0.000 40.513) 40.513 1.947 ( 0.000 0.000 6.724) 6.724 2.280 ( 0.000 0.000 12.460) 12.460 2.355 ( 0.000 0.000 -3.467) 3.467 2.881 ( 0.000 0.000 -6.486) 6.486 2.915 ( 0.000 0.000 -6.166) 6.166 3.147 ( 0.000 0.000 -3.300) 3.300 3.160 ( 0.000 0.000 -2.063) 2.063 3.356 ( 0.000 0.000 -8.718) 8.718 3.455 ( 0.000 0.000 -7.712) 7.712 3.638 ( 0.000 0.000 -3.346) 3.346 3.682 ( 0.000 0.000 -0.997) 0.997 3.998 ( 0.000 0.000 -0.427) 0.427 4.301 ( 0.000 0.000 -4.295) 4.295 4.589 ( 0.000 0.000 9.802) 9.802 4.635 ( 0.000 0.000 0.426) 0.426 4.661 ( 0.000 0.000 -8.050) 8.050 4.756 ( 0.000 0.000 -3.332) 3.332 4.857 ( 0.000 0.000 7.236) 7.236 4.876 ( 0.000 0.000 -4.248) 4.248 4.953 ( 0.000 0.000 1.827) 1.827 5.058 ( 0.000 0.000 -9.219) 9.219 5.147 ( 0.000 0.000 -3.055) 3.055 5.433 ( 0.000 0.000 -3.586) 3.586 5.808 ( 0.000 0.000 0.913) 0.913 5.954 ( 0.000 0.000 8.940) 8.940 5.971 ( 0.000 0.000 4.827) 4.827 6.229 ( 0.000 0.000 8.260) 8.260 6.319 ( 0.000 0.000 -2.003) 2.003 6.338 ( 0.000 0.000 1.562) 1.562 6.420 ( 0.000 0.000 -9.998) 9.998 6.942 ( 0.000 0.000 -2.495) 2.495 7.182 ( 0.000 0.000 -5.774) 5.774 7.302 ( 0.000 0.000 -9.198) 9.198 7.371 ( 0.000 0.000 -10.075) 10.075 7.553 ( 0.000 0.000 -7.074) 7.074 7.791 ( 0.000 0.000 10.740) 10.740 8.135 ( 0.000 0.000 4.698) 4.698 8.329 ( 0.000 0.000 -0.533) 0.533 8.490 ( 0.000 0.000 5.430) 5.430 8.527 ( 0.000 0.000 -4.714) 4.714 8.608 ( 0.000 0.000 -5.141) 5.141 8.799 ( 0.000 0.000 6.114) 6.114 8.910 ( 0.000 0.000 -0.288) 0.288 8.933 ( 0.000 0.000 0.389) 0.389 9.101 ( 0.000 0.000 -0.652) 0.652 9.182 ( 0.000 0.000 -5.835) 5.835 9.209 ( 0.000 0.000 -3.521) 3.521 10.626 ( 0.000 0.000 -5.865) 5.865 10.829 ( 0.000 0.000 -8.216) 8.216 10.962 ( 0.000 0.000 -0.329) 0.329 10.971 ( 0.000 0.000 -2.377) 2.377 11.433 ( 0.000 0.000 6.955) 6.955 11.645 ( 0.000 0.000 6.538) 6.538 11.782 ( 0.000 0.000 -7.996) 7.996 11.893 ( 0.000 0.000 -15.565) 15.565 12.065 ( 0.000 0.000 -2.785) 2.785 12.169 ( 0.000 0.000 4.103) 4.103 12.316 ( 0.000 0.000 -2.032) 2.032 12.708 ( 0.000 0.000 -2.161) 2.161 12.782 ( 0.000 0.000 12.824) 12.824 13.261 ( 0.000 0.000 5.645) 5.645 14.034 ( 0.000 0.000 12.252) 12.252 15.233 ( 0.000 0.000 -3.313) 3.313 15.783 ( 0.000 0.000 -0.580) 0.580 16.066 ( 0.000 0.000 -3.551) 3.551 18.648 ( 0.000 0.000 0.290) 0.290 18.680 ( 0.000 0.000 0.157) 0.157 18.697 ( 0.000 0.000 -0.237) 0.237 18.714 ( 0.000 0.000 -0.180) 0.180 20.509 ( 0.000 0.000 0.929) 0.929 20.630 ( 0.000 0.000 0.057) 0.057 21.163 ( 0.000 0.000 -3.651) 3.651 21.346 ( 0.000 0.000 -2.430) 2.430 22.096 ( 0.000 0.000 0.635) 0.635 22.244 ( 0.000 0.000 -1.700) 1.700 22.670 ( 0.000 0.000 -1.788) 1.788 22.906 ( 0.000 0.000 -5.225) 5.225 23.392 ( 0.000 0.000 10.291) 10.291 23.585 ( 0.000 0.000 9.187) 9.187 23.902 ( 0.000 0.000 1.487) 1.487 24.766 ( 0.000 0.000 -10.578) 10.578 ======================= Grid point 91 (32/90) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( 13.018 0.000 21.135) 24.822 1.362 ( 17.604 0.000 22.745) 28.762 1.821 ( -10.378 0.000 8.588) 13.471 2.030 ( -2.571 0.000 18.328) 18.508 2.281 ( 13.378 0.000 26.795) 29.949 2.422 ( 5.228 0.000 -4.013) 6.590 2.725 ( -7.726 0.000 -5.752) 9.632 3.058 ( 6.737 0.000 -7.104) 9.791 3.097 ( -2.092 0.000 -8.897) 9.139 3.238 ( -4.478 0.000 -4.723) 6.508 3.310 ( -3.940 0.000 -8.640) 9.496 3.312 ( 0.757 0.000 3.275) 3.362 3.669 ( 0.161 0.000 1.046) 1.058 3.821 ( 5.736 0.000 -4.829) 7.498 4.050 ( 4.581 0.000 0.894) 4.667 4.300 ( -1.880 0.000 -1.132) 2.195 4.448 ( -12.782 0.000 16.953) 21.232 4.545 ( -2.344 0.000 -5.384) 5.872 4.645 ( -7.801 0.000 -1.297) 7.908 4.664 ( -2.450 0.000 -9.226) 9.546 4.772 ( 2.368 0.000 -4.914) 5.455 4.942 ( 4.587 0.000 -2.593) 5.269 4.986 ( -2.430 0.000 -0.375) 2.459 5.060 ( -0.219 0.000 -7.639) 7.642 5.153 ( 1.986 0.000 -2.203) 2.966 5.361 ( -5.299 0.000 -1.346) 5.467 5.828 ( 1.920 0.000 1.637) 2.524 5.945 ( -1.211 0.000 7.008) 7.112 6.068 ( 5.468 0.000 0.725) 5.516 6.220 ( -0.459 0.000 7.891) 7.905 6.245 ( -4.094 0.000 -1.581) 4.389 6.289 ( -3.434 0.000 3.219) 4.707 6.587 ( 12.157 0.000 -6.095) 13.600 6.952 ( -0.492 0.000 -3.825) 3.857 7.209 ( 1.953 0.000 -6.574) 6.858 7.288 ( -1.210 0.000 -8.740) 8.823 7.370 ( 0.062 0.000 -7.922) 7.922 7.470 ( -5.465 0.000 -2.360) 5.953 7.885 ( 7.949 0.000 10.134) 12.880 8.212 ( 3.180 0.000 -0.218) 3.187 8.307 ( -1.478 0.000 -0.215) 1.493 8.351 ( -10.022 0.000 6.859) 12.144 8.390 ( -1.378 0.000 -2.438) 2.801 8.606 ( -3.381 0.000 -1.907) 3.881 8.897 ( 6.400 0.000 4.874) 8.045 8.953 ( 5.336 0.000 1.421) 5.522 9.094 ( -1.125 0.000 2.158) 2.434 9.119 ( 5.276 0.000 -8.603) 10.092 9.166 ( -0.779 0.000 -7.453) 7.494 9.198 ( -0.986 0.000 -4.330) 4.441 10.648 ( 1.961 0.000 -6.025) 6.336 10.788 ( -3.245 0.000 -7.520) 8.191 10.990 ( 2.691 0.000 -0.514) 2.740 11.063 ( 3.978 0.000 -4.245) 5.818 11.473 ( 5.516 0.000 -0.411) 5.532 11.710 ( 5.434 0.000 5.616) 7.814 11.776 ( -2.509 0.000 -8.461) 8.825 11.919 ( 3.457 0.000 -12.845) 13.303 12.040 ( -7.969 0.000 3.241) 8.603 12.067 ( -0.457 0.000 -5.147) 5.167 12.433 ( 6.881 0.000 -1.047) 6.961 12.673 ( -3.119 0.000 -1.959) 3.683 12.814 ( 3.617 0.000 11.921) 12.458 13.167 ( -7.796 0.000 5.666) 9.638 14.116 ( 7.264 0.000 13.850) 15.639 14.817 ( -24.929 0.000 12.273) 27.786 15.923 ( 6.152 0.000 -5.678) 8.372 16.057 ( -0.973 0.000 -3.923) 4.042 18.652 ( 0.363 0.000 0.249) 0.440 18.674 ( -0.457 0.000 0.122) 0.473 18.701 ( 0.276 0.000 -0.175) 0.327 18.712 ( -0.173 0.000 -0.166) 0.240 20.519 ( 2.063 0.000 1.087) 2.332 20.668 ( -0.510 0.000 1.955) 2.021 21.132 ( 2.814 0.000 -4.573) 5.370 21.406 ( -1.263 0.000 -6.665) 6.784 22.147 ( 6.535 0.000 -0.403) 6.547 22.379 ( 9.510 0.000 -5.872) 11.177 22.575 ( -8.067 0.000 -1.399) 8.188 22.802 ( -8.182 0.000 -5.427) 9.818 23.378 ( 1.288 0.000 9.962) 10.045 23.514 ( -3.021 0.000 8.856) 9.357 24.183 ( 16.495 0.000 -2.200) 16.641 24.698 ( -6.124 0.000 -7.767) 9.891 ======================= Grid point 92 (33/90) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( -15.189 0.000 13.656) 20.425 1.529 ( 15.189 0.000 13.656) 20.425 1.753 ( -16.622 0.000 17.798) 24.353 1.753 ( 16.622 0.000 17.798) 24.353 2.560 ( -7.010 0.000 -4.992) 8.606 2.560 ( 7.010 0.000 -4.992) 8.606 2.796 ( -23.047 0.000 7.976) 24.388 2.796 ( 23.047 0.000 7.976) 24.388 3.198 ( -5.845 0.000 -8.050) 9.949 3.198 ( 5.845 0.000 -8.050) 9.949 3.284 ( -5.801 0.000 -1.349) 5.955 3.284 ( 5.801 0.000 -1.349) 5.955 3.734 ( -7.209 0.000 3.841) 8.169 3.734 ( 7.209 0.000 3.841) 8.169 4.185 ( -6.932 0.000 2.225) 7.280 4.185 ( 6.932 0.000 2.225) 7.280 4.435 ( -9.285 0.000 2.626) 9.649 4.435 ( 9.285 0.000 2.626) 9.649 4.582 ( -4.030 0.000 -10.060) 10.837 4.582 ( 4.030 0.000 -10.060) 10.837 4.880 ( -5.860 0.000 -4.066) 7.132 4.880 ( 5.860 0.000 -4.066) 7.132 5.029 ( -2.764 0.000 -4.347) 5.152 5.029 ( 2.764 0.000 -4.347) 5.152 5.238 ( -5.170 0.000 -0.994) 5.265 5.238 ( 5.170 0.000 -0.994) 5.265 5.891 ( -3.336 0.000 3.494) 4.831 5.891 ( 3.336 0.000 3.494) 4.831 6.163 ( -3.499 0.000 -1.066) 3.658 6.163 ( 3.499 0.000 -1.066) 3.658 6.229 ( -1.562 0.000 6.359) 6.548 6.229 ( 1.562 0.000 6.359) 6.548 6.849 ( -9.346 0.000 -4.620) 10.426 6.849 ( 9.346 0.000 -4.620) 10.426 7.253 ( -1.857 0.000 -7.779) 7.997 7.253 ( 1.857 0.000 -7.779) 7.997 7.384 ( -1.761 0.000 -3.500) 3.918 7.384 ( 1.761 0.000 -3.500) 3.918 8.107 ( -11.249 0.000 8.640) 14.185 8.107 ( 11.249 0.000 8.640) 14.185 8.254 ( -2.400 0.000 -1.540) 2.852 8.254 ( 2.400 0.000 -1.540) 2.852 8.491 ( -6.439 0.000 -1.369) 6.583 8.491 ( 6.439 0.000 -1.369) 6.583 9.027 ( -4.806 0.000 3.887) 6.181 9.027 ( 4.806 0.000 3.887) 6.181 9.090 ( -5.702 0.000 -3.274) 6.576 9.090 ( 5.702 0.000 -3.274) 6.576 9.172 ( -1.083 0.000 -6.434) 6.525 9.172 ( 1.083 0.000 -6.434) 6.525 10.709 ( -3.459 0.000 -6.554) 7.411 10.709 ( 3.459 0.000 -6.554) 7.411 11.060 ( -2.891 0.000 -1.040) 3.073 11.060 ( 2.891 0.000 -1.040) 3.073 11.653 ( -8.113 0.000 -9.208) 12.272 11.653 ( 8.113 0.000 -9.208) 12.272 11.862 ( -7.796 0.000 4.138) 8.826 11.862 ( 7.796 0.000 4.138) 8.826 12.017 ( -4.059 0.000 -8.559) 9.473 12.017 ( 4.059 0.000 -8.559) 9.473 12.574 ( -5.608 0.000 -1.459) 5.795 12.574 ( 5.608 0.000 -1.459) 5.795 12.963 ( -9.265 0.000 8.014) 12.250 12.963 ( 9.265 0.000 8.014) 12.250 14.362 ( -15.475 0.000 16.465) 22.596 14.362 ( 15.475 0.000 16.465) 22.596 16.016 ( -2.808 0.000 -5.008) 5.742 16.016 ( 2.808 0.000 -5.008) 5.742 18.662 ( -0.546 0.000 0.164) 0.570 18.662 ( 0.546 0.000 0.164) 0.570 18.707 ( -0.289 0.000 -0.149) 0.325 18.707 ( 0.289 0.000 -0.149) 0.325 20.597 ( -4.372 0.000 2.193) 4.891 20.597 ( 4.372 0.000 2.193) 4.891 21.278 ( -8.157 0.000 -5.951) 10.097 21.278 ( 8.157 0.000 -5.951) 10.097 22.351 ( -10.521 0.000 -2.325) 10.775 22.351 ( 10.521 0.000 -2.325) 10.775 22.603 ( -9.567 0.000 -6.425) 11.524 22.603 ( 9.567 0.000 -6.425) 11.524 23.444 ( -3.527 0.000 8.606) 9.301 23.444 ( 3.527 0.000 8.606) 9.301 24.499 ( -11.704 0.000 -4.405) 12.505 24.499 ( 11.704 0.000 -4.405) 12.505 ======================= Grid point 95 (34/90) ======================= q-point: ( 0.00 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( 0.000 14.312 23.151) 27.218 1.231 ( 0.000 11.334 23.561) 26.145 2.036 ( 0.000 13.156 28.143) 31.067 2.166 ( 0.000 17.742 7.237) 19.161 2.327 ( 0.000 7.284 15.761) 17.363 2.447 ( 0.000 8.496 -0.929) 8.547 2.946 ( 0.000 5.032 -2.112) 5.458 3.015 ( 0.000 5.497 -3.906) 6.744 3.106 ( 0.000 -0.171 -4.468) 4.471 3.134 ( 0.000 -2.698 -2.959) 4.004 3.420 ( 0.000 4.031 -8.455) 9.367 3.478 ( 0.000 3.858 -6.905) 7.910 3.592 ( 0.000 -3.414 -2.189) 4.055 3.655 ( 0.000 -1.078 -2.280) 2.522 3.979 ( 0.000 -2.329 -0.112) 2.332 4.344 ( 0.000 1.845 -6.707) 6.956 4.473 ( 0.000 -6.792 -0.973) 6.861 4.616 ( 0.000 -2.442 3.427) 4.208 4.713 ( 0.000 0.828 0.198) 0.851 4.761 ( 0.000 -5.362 3.282) 6.287 4.767 ( 0.000 -1.033 -3.588) 3.734 4.935 ( 0.000 0.535 -0.099) 0.544 4.938 ( 0.000 -5.109 -6.785) 8.493 5.018 ( 0.000 10.442 -2.124) 10.656 5.290 ( 0.000 7.422 -6.916) 10.145 5.399 ( 0.000 -3.253 -1.041) 3.416 5.795 ( 0.000 -0.526 -1.200) 1.310 6.006 ( 0.000 2.466 4.628) 5.244 6.012 ( 0.000 4.896 8.028) 9.403 6.305 ( 0.000 7.330 6.934) 10.090 6.362 ( 0.000 4.744 -0.240) 4.750 6.390 ( 0.000 3.887 0.616) 3.936 6.408 ( 0.000 -0.178 -9.233) 9.235 6.910 ( 0.000 -2.399 -3.404) 4.165 7.261 ( 0.000 -3.012 -10.085) 10.526 7.270 ( 0.000 6.997 -7.940) 10.583 7.365 ( 0.000 -12.363 1.467) 12.449 7.418 ( 0.000 3.048 -6.967) 7.604 7.899 ( 0.000 6.214 5.802) 8.502 8.022 ( 0.000 -10.297 4.496) 11.236 8.253 ( 0.000 -7.047 -0.474) 7.063 8.450 ( 0.000 -6.150 -2.651) 6.697 8.514 ( 0.000 -5.283 -1.415) 5.469 8.546 ( 0.000 1.120 3.137) 3.331 8.663 ( 0.000 -7.945 5.612) 9.727 8.825 ( 0.000 -6.012 -2.121) 6.375 8.940 ( 0.000 1.474 0.278) 1.500 9.161 ( 0.000 -4.605 -4.226) 6.250 9.267 ( 0.000 11.581 1.421) 11.668 9.401 ( 0.000 14.758 -11.008) 18.411 10.666 ( 0.000 2.929 -6.949) 7.542 10.721 ( 0.000 -8.680 -7.123) 11.228 10.993 ( 0.000 3.197 -0.711) 3.275 11.015 ( 0.000 2.864 -3.512) 4.532 11.500 ( 0.000 5.914 6.725) 8.956 11.610 ( 0.000 -6.969 4.006) 8.038 11.757 ( 0.000 -0.843 -6.342) 6.398 11.862 ( 0.000 -2.693 -14.474) 14.722 12.022 ( 0.000 3.770 -1.964) 4.251 12.319 ( 0.000 0.275 -2.243) 2.260 12.419 ( 0.000 14.860 -2.239) 15.028 12.699 ( 0.000 -1.280 -3.065) 3.321 12.793 ( 0.000 2.570 11.575) 11.857 13.248 ( 0.000 -0.894 6.700) 6.759 14.070 ( 0.000 3.635 11.829) 12.375 15.184 ( 0.000 -4.875 -2.794) 5.619 15.445 ( 0.000 -24.440 12.498) 27.451 15.947 ( 0.000 -11.168 -2.356) 11.414 18.762 ( 0.000 8.112 -0.056) 8.112 18.790 ( 0.000 13.253 -0.673) 13.270 18.798 ( 0.000 8.449 -0.215) 8.452 19.196 ( 0.000 37.570 -19.029) 42.115 20.473 ( 0.000 -3.424 0.860) 3.530 20.607 ( 0.000 -2.279 -0.096) 2.281 21.161 ( 0.000 -0.220 -4.085) 4.091 21.310 ( 0.000 -3.600 -2.440) 4.349 22.100 ( 0.000 0.393 0.687) 0.791 22.240 ( 0.000 -0.360 -1.549) 1.591 22.671 ( 0.000 0.091 -1.695) 1.698 22.893 ( 0.000 -1.368 -5.145) 5.324 23.391 ( 0.000 -0.141 10.534) 10.535 23.589 ( 0.000 0.525 8.634) 8.650 23.801 ( 0.000 -9.256 6.742) 11.451 24.594 ( 0.000 -14.462 -5.060) 15.321 ======================= Grid point 96 (35/90) ======================= q-point: ( 0.25 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( 12.955 13.069 19.602) 26.887 1.450 ( 15.462 8.731 20.347) 27.006 2.004 ( -10.671 15.604 7.905) 20.490 2.078 ( -6.939 5.356 14.399) 16.857 2.380 ( 12.699 10.997 21.423) 27.224 2.536 ( 6.498 10.545 0.493) 12.396 2.819 ( -6.716 7.514 -3.554) 10.687 3.073 ( -1.920 -0.773 -8.168) 8.426 3.145 ( 4.471 4.472 -4.841) 7.964 3.186 ( 2.289 -3.874 -1.718) 4.816 3.298 ( -4.602 0.571 0.667) 4.685 3.412 ( -2.212 9.023 -8.434) 12.547 3.610 ( -2.282 -4.841 0.417) 5.368 3.773 ( 5.230 -2.959 -4.904) 7.756 4.045 ( 5.708 -1.231 1.234) 5.969 4.339 ( -5.171 1.298 2.765) 6.006 4.410 ( -2.948 -1.610 1.299) 3.601 4.545 ( -8.045 -0.596 4.685) 9.328 4.619 ( 0.088 -3.767 -7.003) 7.952 4.676 ( -6.059 0.875 -4.365) 7.519 4.758 ( 0.871 -1.434 -2.358) 2.894 4.895 ( -2.177 -4.811 -1.624) 5.525 4.991 ( 2.836 -0.816 -3.972) 4.948 5.053 ( 1.149 6.689 -6.023) 9.074 5.282 ( -0.410 7.362 -5.149) 8.993 5.346 ( -3.593 -1.134 0.448) 3.795 5.842 ( 3.117 0.962 -1.115) 3.447 5.983 ( -1.807 2.140 3.564) 4.533 6.088 ( 4.692 3.224 4.578) 7.305 6.270 ( -3.166 5.798 5.971) 8.905 6.316 ( -1.748 6.283 0.652) 6.554 6.356 ( -2.515 6.165 1.078) 6.745 6.548 ( 10.351 -3.183 -5.170) 12.001 6.880 ( -2.479 -4.969 -3.714) 6.680 7.245 ( -0.103 -2.748 -7.810) 8.280 7.303 ( 0.540 3.900 -8.828) 9.666 7.363 ( 0.128 -5.770 -0.175) 5.774 7.419 ( -0.465 2.667 -5.335) 5.982 7.927 ( 4.388 2.477 7.863) 9.338 8.084 ( 2.727 -10.372 1.254) 10.798 8.229 ( -1.961 -6.272 -0.060) 6.571 8.320 ( -6.213 -2.927 -0.401) 6.880 8.456 ( -2.737 3.129 2.931) 5.087 8.552 ( -0.745 -4.522 -1.454) 4.809 8.752 ( 4.622 -9.486 3.535) 11.129 8.847 ( 0.742 -7.006 -0.312) 7.052 8.996 ( 3.496 -2.865 -2.128) 4.996 9.140 ( -2.000 -4.324 -2.848) 5.551 9.289 ( 2.100 11.943 -0.457) 12.135 9.410 ( -0.605 12.704 -9.366) 15.795 10.688 ( 1.887 2.806 -7.332) 8.074 10.758 ( 1.188 -4.365 -9.330) 10.369 11.018 ( 2.031 2.629 -1.067) 3.490 11.057 ( 3.048 0.061 -3.648) 4.754 11.446 ( -0.500 -0.678 3.098) 3.211 11.646 ( -0.667 -7.913 2.441) 8.308 11.780 ( 1.434 -2.265 -4.720) 5.428 11.820 ( -2.507 -0.555 -10.084) 10.405 12.080 ( 5.243 8.348 -4.156) 10.698 12.329 ( -0.909 10.608 -3.649) 11.255 12.462 ( 3.738 5.699 -2.290) 7.190 12.658 ( -3.279 -1.656 -2.927) 4.697 12.806 ( 2.501 -0.446 11.782) 12.052 13.154 ( -7.884 -1.026 6.315) 10.154 14.151 ( 7.063 3.609 13.222) 15.418 14.777 ( -21.650 -3.318 13.049) 25.495 15.697 ( 10.394 -18.133 -0.485) 20.907 15.927 ( -1.899 -11.984 -2.496) 12.387 18.760 ( -0.098 8.121 -0.015) 8.121 18.769 ( -0.703 9.246 -0.104) 9.273 18.840 ( 2.704 13.971 -1.227) 14.283 19.070 ( -8.101 30.114 -10.072) 32.770 20.493 ( 2.489 -2.419 0.867) 3.577 20.646 ( -0.260 -2.136 1.629) 2.699 21.109 ( 1.917 -2.429 -4.235) 5.244 21.373 ( -1.397 -3.340 -6.787) 7.692 22.156 ( 6.618 0.869 -0.501) 6.694 22.371 ( 9.334 -0.780 -5.499) 10.861 22.576 ( -7.962 0.214 -1.445) 8.095 22.789 ( -8.070 -1.340 -5.259) 9.725 23.385 ( 1.630 0.685 10.108) 10.261 23.516 ( -2.729 0.278 8.637) 9.062 24.080 ( 15.933 -9.583 1.773) 18.677 24.544 ( -4.697 -13.415 -3.658) 14.677 ======================= Grid point 97 (36/90) ======================= q-point: (-0.50 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( -15.976 13.941 12.767) 24.750 1.694 ( 15.976 13.941 12.767) 24.750 1.805 ( -15.338 5.583 16.736) 23.378 1.805 ( 15.338 5.583 16.736) 23.378 2.645 ( -6.605 8.634 -2.781) 11.220 2.645 ( 6.605 8.634 -2.781) 11.220 2.844 ( -16.306 3.774 3.491) 17.098 2.844 ( 16.306 3.774 3.491) 17.098 3.226 ( -4.155 -1.600 -0.742) 4.514 3.226 ( 4.155 -1.600 -0.742) 4.514 3.319 ( -5.771 6.933 -5.572) 10.603 3.319 ( 5.771 6.933 -5.572) 10.603 3.670 ( -8.771 -3.867 2.570) 9.924 3.670 ( 8.771 -3.867 2.570) 9.924 4.203 ( -7.406 -0.194 2.662) 7.873 4.203 ( 7.406 -0.194 2.662) 7.873 4.420 ( -5.962 0.156 1.583) 6.170 4.420 ( 5.962 0.156 1.583) 6.170 4.609 ( -1.113 1.231 -8.538) 8.698 4.609 ( 1.113 1.231 -8.538) 8.698 4.821 ( -4.208 -4.995 -2.054) 6.847 4.821 ( 4.208 -4.995 -2.054) 6.847 5.044 ( -1.886 1.335 -5.597) 6.055 5.044 ( 1.886 1.335 -5.597) 6.055 5.288 ( -1.232 4.585 -1.448) 4.963 5.288 ( 1.232 4.585 -1.448) 4.963 5.920 ( -3.656 1.821 0.499) 4.115 5.920 ( 3.656 1.821 0.499) 4.115 6.182 ( -4.079 3.795 3.518) 6.589 6.182 ( 4.079 3.795 3.518) 6.589 6.312 ( -1.096 7.075 2.785) 7.682 6.312 ( 1.096 7.075 2.785) 7.682 6.772 ( -8.031 -6.031 -4.038) 10.825 6.772 ( 8.031 -6.031 -4.038) 10.825 7.267 ( -2.097 -2.062 -6.768) 7.379 7.267 ( 2.097 -2.062 -6.768) 7.379 7.393 ( -1.670 2.647 -3.558) 4.739 7.393 ( 1.670 2.647 -3.558) 4.739 8.066 ( -5.688 -4.948 5.211) 9.165 8.066 ( 5.688 -4.948 5.211) 9.165 8.206 ( -2.192 -3.654 -0.001) 4.261 8.206 ( 2.192 -3.654 -0.001) 4.261 8.491 ( -3.855 0.259 -0.512) 3.898 8.491 ( 3.855 0.259 -0.512) 3.898 8.831 ( -2.317 -10.835 1.066) 11.131 8.831 ( 2.317 -10.835 1.066) 11.131 9.074 ( -3.627 -3.143 -1.888) 5.157 9.074 ( 3.627 -3.143 -1.888) 5.157 9.356 ( -3.493 11.707 -4.342) 12.965 9.356 ( 3.493 11.707 -4.342) 12.965 10.738 ( -2.251 1.404 -8.412) 8.820 10.738 ( 2.251 1.404 -8.412) 8.820 11.069 ( -1.916 0.801 -1.878) 2.800 11.069 ( 1.916 0.801 -1.878) 2.800 11.541 ( -7.079 -8.723 -1.782) 11.375 11.541 ( 7.079 -8.723 -1.782) 11.375 11.796 ( -0.296 -0.617 -4.829) 4.877 11.796 ( 0.296 -0.617 -4.829) 4.877 12.229 ( -7.068 13.488 -3.610) 15.650 12.229 ( 7.068 13.488 -3.610) 15.650 12.566 ( -4.897 -0.958 -2.607) 5.630 12.566 ( 4.897 -0.958 -2.607) 5.630 12.946 ( -9.411 -1.513 8.105) 12.512 12.946 ( 9.411 -1.513 8.105) 12.512 14.380 ( -13.898 2.089 15.540) 20.953 14.380 ( 13.898 2.089 15.540) 20.953 15.856 ( -4.727 -14.246 -2.641) 15.241 15.856 ( 4.727 -14.246 -2.641) 15.241 18.760 ( -0.154 8.311 0.025) 8.313 18.760 ( 0.154 8.311 0.025) 8.313 18.922 ( -4.976 20.116 -3.381) 20.997 18.922 ( 4.976 20.116 -3.381) 20.997 20.576 ( -4.454 -1.924 2.012) 5.252 20.576 ( 4.454 -1.924 2.012) 5.252 21.245 ( -8.036 -3.418 -5.939) 10.561 21.245 ( 8.036 -3.418 -5.939) 10.561 22.357 ( -10.344 0.671 -2.292) 10.616 22.357 ( 10.344 0.671 -2.292) 10.616 22.591 ( -9.499 -1.127 -6.282) 11.444 22.591 ( 9.499 -1.127 -6.282) 11.444 23.452 ( -3.342 0.863 8.587) 9.255 23.452 ( 3.342 0.863 8.587) 9.255 24.378 ( -10.477 -11.277 -1.406) 15.457 24.378 ( 10.477 -11.277 -1.406) 15.457 ======================= Grid point 100 (37/90) ======================= q-point: ( 0.00 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( 0.000 17.255 19.156) 25.781 1.524 ( 0.000 17.420 16.016) 23.664 2.277 ( 0.000 9.566 10.933) 14.527 2.534 ( 0.000 19.652 8.581) 21.444 2.633 ( 0.000 8.163 2.944) 8.678 2.644 ( 0.000 17.586 10.016) 20.238 2.946 ( 0.000 -5.869 4.002) 7.104 2.948 ( 0.000 -2.064 2.519) 3.256 3.098 ( 0.000 -1.700 2.154) 2.744 3.292 ( 0.000 9.636 -3.510) 10.256 3.436 ( 0.000 -0.608 -7.383) 7.408 3.571 ( 0.000 4.048 0.261) 4.057 3.600 ( 0.000 7.395 -3.395) 8.137 3.759 ( 0.000 10.930 -8.330) 13.742 3.904 ( 0.000 -3.982 -0.964) 4.097 4.317 ( 0.000 -4.984 -7.681) 9.156 4.349 ( 0.000 -6.409 -8.207) 10.413 4.502 ( 0.000 -7.586 3.147) 8.213 4.648 ( 0.000 -6.708 0.889) 6.767 4.707 ( 0.000 0.258 6.645) 6.650 4.720 ( 0.000 -3.721 -0.156) 3.724 4.848 ( 0.000 -3.671 -4.859) 6.089 5.004 ( 0.000 3.385 -1.623) 3.754 5.242 ( 0.000 4.369 -4.245) 6.092 5.346 ( 0.000 5.459 0.694) 5.503 5.432 ( 0.000 8.129 -8.976) 12.110 5.817 ( 0.000 3.195 -3.986) 5.109 6.054 ( 0.000 2.799 0.950) 2.956 6.078 ( 0.000 0.012 1.232) 1.232 6.400 ( 0.000 0.586 0.652) 0.877 6.446 ( 0.000 6.735 0.246) 6.740 6.492 ( 0.000 4.787 -6.542) 8.106 6.538 ( 0.000 11.619 6.229) 13.183 6.896 ( 0.000 2.014 -3.278) 3.847 7.132 ( 0.000 -8.770 1.471) 8.893 7.191 ( 0.000 -4.195 -8.621) 9.588 7.427 ( 0.000 5.708 -6.849) 8.916 7.457 ( 0.000 0.401 -3.811) 3.832 7.771 ( 0.000 -14.098 3.853) 14.615 7.916 ( 0.000 -8.008 0.162) 8.010 8.155 ( 0.000 1.375 4.223) 4.441 8.353 ( 0.000 -2.466 -0.849) 2.608 8.355 ( 0.000 -7.806 -1.487) 7.947 8.509 ( 0.000 -7.890 4.377) 9.023 8.564 ( 0.000 -2.769 3.370) 4.361 8.766 ( 0.000 1.294 -2.105) 2.471 8.963 ( 0.000 0.754 1.026) 1.273 9.029 ( 0.000 -8.489 -1.459) 8.613 9.510 ( 0.000 12.909 -0.049) 12.909 9.659 ( 0.000 11.465 -12.083) 16.657 10.529 ( 0.000 -10.357 -7.233) 12.632 10.668 ( 0.000 -4.675 -8.205) 9.443 11.070 ( 0.000 2.818 -3.906) 4.817 11.089 ( 0.000 6.498 -2.087) 6.824 11.417 ( 0.000 -9.371 2.582) 9.720 11.600 ( 0.000 1.595 2.103) 2.640 11.799 ( 0.000 4.399 -4.764) 6.484 11.828 ( 0.000 1.235 -7.386) 7.488 12.127 ( 0.000 5.222 -0.550) 5.251 12.326 ( 0.000 0.480 -2.982) 3.020 12.555 ( 0.000 -1.104 1.596) 1.940 12.637 ( 0.000 -5.337 -3.649) 6.465 12.979 ( 0.000 14.392 0.314) 14.395 13.245 ( 0.000 0.859 7.913) 7.959 14.178 ( 0.000 7.428 10.378) 12.762 15.047 ( 0.000 -8.798 -1.368) 8.903 15.063 ( 0.000 -12.516 17.022) 21.128 15.670 ( 0.000 -15.914 -0.088) 15.914 18.985 ( 0.000 14.028 -0.688) 14.045 19.019 ( 0.000 13.162 -0.014) 13.162 19.104 ( 0.000 16.803 -1.961) 16.917 19.805 ( 0.000 19.018 -24.788) 31.243 20.410 ( 0.000 -0.821 -2.101) 2.256 20.548 ( 0.000 -3.293 -0.663) 3.359 21.151 ( 0.000 -0.900 -5.387) 5.462 21.211 ( 0.000 -6.005 -2.812) 6.631 22.113 ( 0.000 0.997 0.683) 1.209 22.228 ( 0.000 -0.866 -1.165) 1.452 22.676 ( 0.000 0.563 -1.518) 1.619 22.852 ( 0.000 -2.686 -4.505) 5.245 23.385 ( 0.000 -0.406 11.258) 11.265 23.600 ( 0.000 -9.583 13.993) 16.960 23.615 ( 0.000 2.390 7.108) 7.499 24.296 ( 0.000 -14.628 -1.108) 14.670 ======================= Grid point 101 (38/90) ======================= q-point: ( 0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( 11.680 15.176 16.559) 25.317 1.687 ( 11.414 14.631 15.368) 24.094 2.205 ( -7.741 8.969 9.877) 15.425 2.348 ( -14.031 15.299 7.316) 22.011 2.662 ( 7.261 10.913 8.364) 15.549 2.767 ( 4.547 8.549 1.772) 9.844 2.918 ( 0.656 6.423 2.491) 6.920 3.008 ( -0.746 -9.099 -0.850) 9.169 3.098 ( -0.015 -0.708 1.796) 1.931 3.206 ( -4.039 1.635 0.837) 4.437 3.434 ( 1.444 9.808 -1.987) 10.110 3.534 ( 1.216 5.456 -3.697) 6.702 3.661 ( -5.016 10.585 -6.551) 13.421 3.766 ( 4.069 3.593 -4.415) 6.997 3.985 ( 6.683 -4.297 0.754) 7.981 4.305 ( -4.431 -4.937 -2.507) 7.092 4.380 ( 1.987 -2.476 -4.029) 5.130 4.511 ( -1.586 -5.692 -3.064) 6.656 4.558 ( -1.419 2.273 5.415) 6.042 4.628 ( -3.048 -5.386 -1.029) 6.274 4.714 ( -1.193 -4.366 -0.259) 4.533 4.808 ( -3.640 -2.316 -2.281) 4.880 5.031 ( 1.449 2.464 -1.344) 3.158 5.178 ( -4.711 1.620 -2.461) 5.556 5.370 ( 1.904 7.788 -2.347) 8.354 5.429 ( -0.446 8.178 -7.552) 11.141 5.868 ( 3.429 2.027 -4.545) 6.044 5.991 ( -2.462 -0.839 -1.965) 3.260 6.188 ( 5.569 4.737 3.463) 8.090 6.385 ( -2.533 4.293 0.805) 5.049 6.485 ( 1.052 4.349 -5.260) 6.906 6.495 ( 1.366 8.081 1.580) 8.347 6.531 ( 2.217 7.378 4.059) 8.708 6.822 ( -5.392 0.395 -3.017) 6.192 7.146 ( 0.529 -7.083 -1.620) 7.285 7.183 ( -0.434 -6.446 -5.577) 8.535 7.423 ( 0.386 2.091 -4.804) 5.253 7.469 ( -0.077 1.763 -3.482) 3.904 7.816 ( 3.656 -13.441 1.432) 14.003 7.911 ( -0.410 -9.373 -0.724) 9.410 8.137 ( -0.949 -0.614 2.942) 3.152 8.271 ( -5.741 -1.474 1.242) 6.056 8.413 ( 4.394 -3.731 -0.247) 5.770 8.498 ( 1.370 -3.703 3.164) 5.060 8.634 ( 2.262 -4.615 2.080) 5.545 8.725 ( -3.397 -1.715 -1.188) 3.987 8.965 ( 0.486 -1.178 0.774) 1.491 9.018 ( -0.949 -7.765 -1.100) 7.900 9.530 ( 1.775 12.591 -1.340) 12.786 9.642 ( -1.781 11.149 -9.582) 14.808 10.598 ( 4.886 -10.835 -9.093) 14.965 10.681 ( 0.849 -5.645 -8.679) 10.388 11.084 ( 1.077 2.430 -3.761) 4.605 11.094 ( 0.332 5.172 -2.431) 5.725 11.394 ( -1.228 -6.086 1.608) 6.413 11.520 ( -5.488 -2.385 0.294) 5.991 11.817 ( 1.170 4.948 -3.812) 6.355 11.840 ( 0.629 3.172 -6.228) 7.017 12.241 ( 9.005 6.991 0.777) 11.427 12.379 ( 3.874 -0.695 -2.394) 4.607 12.571 ( -0.795 -3.917 -4.617) 6.107 12.645 ( 2.210 0.924 -1.410) 2.780 12.863 ( -7.797 8.736 5.573) 12.968 13.143 ( -8.645 0.135 6.689) 10.931 14.262 ( 6.908 7.719 11.198) 15.255 14.730 ( -13.834 -0.376 12.239) 18.474 15.343 ( 10.811 -16.770 2.778) 20.145 15.636 ( -3.055 -16.423 -0.057) 16.705 18.982 ( -0.226 13.807 -0.512) 13.819 18.996 ( -1.177 13.337 -0.040) 13.389 19.176 ( 5.611 17.513 -2.994) 18.632 19.612 ( -13.186 20.275 -15.662) 28.814 20.446 ( 3.167 -1.134 -0.878) 3.476 20.599 ( 0.773 -1.928 0.170) 2.084 21.036 ( -0.640 -4.860 -3.262) 5.888 21.278 ( -2.186 -6.201 -7.163) 9.723 22.181 ( 6.820 1.667 -0.810) 7.067 22.348 ( 8.815 -1.539 -4.531) 10.030 22.585 ( -7.646 0.761 -1.595) 7.848 22.751 ( -7.702 -2.384 -4.634) 9.299 23.404 ( 2.838 1.220 10.628) 11.068 23.531 ( -1.650 1.331 8.138) 8.410 23.861 ( 13.068 -10.977 8.355) 19.003 24.254 ( -3.965 -14.756 0.330) 15.283 ======================= Grid point 102 (39/90) ======================= q-point: (-0.50 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( -10.811 11.783 12.834) 20.504 1.952 ( 10.811 11.783 12.834) 20.504 1.996 ( -13.472 12.881 11.974) 22.154 1.996 ( 13.472 12.881 11.974) 22.154 2.826 ( -2.642 0.252 -0.787) 2.768 2.826 ( 2.642 0.252 -0.787) 2.768 2.913 ( -2.935 7.539 -1.777) 8.284 2.913 ( 2.935 7.539 -1.777) 8.284 3.147 ( -3.883 -3.626 3.590) 6.412 3.147 ( 3.883 -3.626 3.590) 6.412 3.502 ( -4.397 10.829 -2.624) 11.978 3.502 ( 4.397 10.829 -2.624) 11.978 3.700 ( -8.373 7.336 -1.375) 11.217 3.700 ( 8.373 7.336 -1.375) 11.217 4.151 ( -7.559 -4.054 1.381) 8.688 4.151 ( 7.559 -4.054 1.381) 8.688 4.436 ( -4.235 -0.114 0.225) 4.243 4.436 ( 4.235 -0.114 0.225) 4.243 4.602 ( -0.620 -2.308 -5.148) 5.676 4.602 ( 0.620 -2.308 -5.148) 5.676 4.718 ( -3.087 -3.971 0.072) 5.030 4.718 ( 3.087 -3.971 0.072) 5.030 5.079 ( -3.460 1.112 -1.255) 3.845 5.079 ( 3.460 1.112 -1.255) 3.845 5.409 ( -1.352 8.217 -5.317) 9.881 5.409 ( 1.352 8.217 -5.317) 9.881 5.938 ( -2.702 0.188 -3.832) 4.693 5.938 ( 2.702 0.188 -3.832) 4.693 6.298 ( -4.656 6.070 2.180) 7.955 6.298 ( 4.656 6.070 2.180) 7.955 6.490 ( -0.496 10.167 1.238) 10.254 6.490 ( 0.496 10.167 1.238) 10.254 6.679 ( -7.498 -1.671 -2.173) 7.983 6.679 ( 7.498 -1.671 -2.173) 7.983 7.164 ( -1.183 -6.834 -3.945) 7.979 7.164 ( 1.183 -6.834 -3.945) 7.979 7.448 ( -1.482 1.056 -2.848) 3.379 7.448 ( 1.482 1.056 -2.848) 3.379 7.889 ( -2.101 -12.475 -1.288) 12.716 7.889 ( 2.101 -12.475 -1.288) 12.716 8.157 ( -3.442 -0.864 2.631) 4.418 8.157 ( 3.442 -0.864 2.631) 4.418 8.509 ( -2.465 0.812 0.751) 2.702 8.509 ( 2.465 0.812 0.751) 2.702 8.656 ( -1.536 -6.204 1.142) 6.493 8.656 ( 1.536 -6.204 1.142) 6.493 8.990 ( -1.470 -5.093 -0.155) 5.303 8.990 ( 1.470 -5.093 -0.155) 5.303 9.584 ( -2.937 11.765 -4.900) 13.079 9.584 ( 2.937 11.765 -4.900) 13.079 10.679 ( -1.681 -8.626 -9.758) 13.132 10.679 ( 1.681 -8.626 -9.758) 13.132 11.099 ( -0.044 2.725 -3.156) 4.170 11.099 ( 0.044 2.725 -3.156) 4.170 11.412 ( -3.336 -4.186 0.093) 5.353 11.412 ( 3.336 -4.186 0.093) 5.353 11.840 ( -0.678 4.942 -4.637) 6.811 11.840 ( 0.678 4.942 -4.637) 6.811 12.432 ( -3.121 2.980 1.416) 4.542 12.432 ( 3.121 2.980 1.416) 4.542 12.561 ( -5.279 3.709 -5.749) 8.642 12.561 ( 5.279 3.709 -5.749) 8.642 12.912 ( -10.415 -1.788 7.633) 13.036 12.912 ( 10.415 -1.788 7.633) 13.036 14.459 ( -10.637 6.217 12.659) 17.665 14.459 ( 10.637 6.217 12.659) 17.665 15.532 ( -6.463 -17.410 0.425) 18.576 15.532 ( 6.463 -17.410 0.425) 18.576 18.980 ( -0.223 13.461 -0.190) 13.464 18.980 ( 0.223 13.461 -0.190) 13.464 19.346 ( -9.919 19.515 -6.793) 22.921 19.346 ( 9.919 19.515 -6.793) 22.921 20.538 ( -4.578 -1.108 1.088) 4.834 20.538 ( 4.578 -1.108 1.088) 4.834 21.143 ( -7.769 -6.835 -5.866) 11.895 21.143 ( 7.769 -6.835 -5.866) 11.895 22.378 ( -9.919 1.420 -2.318) 10.285 22.378 ( 9.919 1.420 -2.318) 10.285 22.559 ( -9.336 -2.064 -5.747) 11.156 22.559 ( 9.336 -2.064 -5.747) 11.156 23.482 ( -3.160 2.252 8.535) 9.376 23.482 ( 3.160 2.252 8.535) 9.376 24.112 ( -8.970 -14.241 3.772) 17.248 24.112 ( 8.970 -14.241 3.772) 17.248 ======================= Grid point 105 (40/90) ======================= q-point: ( 0.00 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( 0.000 18.610 13.365) 22.912 1.884 ( 0.000 18.207 9.700) 20.630 2.442 ( 0.000 4.670 6.903) 8.334 2.600 ( 0.000 -12.041 4.801) 12.963 2.620 ( 0.000 -5.465 3.032) 6.250 2.903 ( 0.000 11.766 0.967) 11.805 2.929 ( 0.000 5.185 4.038) 6.572 2.964 ( 0.000 -10.775 7.256) 12.990 3.222 ( 0.000 20.546 6.525) 21.558 3.378 ( 0.000 2.257 4.144) 4.718 3.474 ( 0.000 3.023 -1.188) 3.248 3.648 ( 0.000 -4.262 0.331) 4.275 3.796 ( 0.000 15.225 0.221) 15.226 3.900 ( 0.000 6.708 -8.405) 10.754 4.034 ( 0.000 13.260 -6.943) 14.968 4.165 ( 0.000 -8.447 -4.501) 9.571 4.212 ( 0.000 -6.307 -7.290) 9.640 4.360 ( 0.000 -7.250 -1.382) 7.380 4.473 ( 0.000 -10.950 1.318) 11.029 4.583 ( 0.000 -10.132 -2.870) 10.530 4.765 ( 0.000 5.459 5.495) 7.746 4.845 ( 0.000 3.756 0.731) 3.826 5.003 ( 0.000 -3.390 0.114) 3.392 5.136 ( 0.000 -8.197 3.932) 9.091 5.617 ( 0.000 9.763 -8.574) 12.994 5.630 ( 0.000 14.603 -8.685) 16.991 5.906 ( 0.000 4.214 -7.809) 8.873 6.013 ( 0.000 -5.373 -4.411) 6.952 6.143 ( 0.000 7.065 -0.056) 7.065 6.396 ( 0.000 -1.590 2.258) 2.762 6.566 ( 0.000 2.197 -9.776) 10.020 6.570 ( 0.000 4.773 -4.929) 6.861 6.751 ( 0.000 9.517 4.211) 10.407 6.997 ( 0.000 7.231 -0.074) 7.231 7.039 ( 0.000 -0.273 2.665) 2.679 7.092 ( 0.000 -6.003 -5.183) 7.931 7.385 ( 0.000 -9.151 -2.307) 9.437 7.433 ( 0.000 -6.101 -4.193) 7.403 7.557 ( 0.000 -4.013 3.505) 5.328 7.705 ( 0.000 -9.265 -2.865) 9.698 8.220 ( 0.000 2.700 2.684) 3.807 8.242 ( 0.000 -3.235 -0.797) 3.331 8.361 ( 0.000 -5.365 3.839) 6.597 8.406 ( 0.000 7.130 2.776) 7.651 8.458 ( 0.000 -6.504 1.672) 6.716 8.812 ( 0.000 -5.228 0.954) 5.314 8.864 ( 0.000 -0.955 0.846) 1.276 8.964 ( 0.000 -0.792 1.636) 1.818 9.782 ( 0.000 14.760 -2.170) 14.919 9.870 ( 0.000 10.214 -11.111) 15.092 10.322 ( 0.000 -10.365 -7.912) 13.040 10.465 ( 0.000 -14.656 -6.340) 15.968 11.130 ( 0.000 3.269 -3.662) 4.909 11.236 ( 0.000 7.796 -3.434) 8.518 11.282 ( 0.000 -4.651 -0.374) 4.666 11.537 ( 0.000 -6.222 -5.470) 8.284 11.911 ( 0.000 6.167 -4.033) 7.369 11.921 ( 0.000 5.947 2.587) 6.485 12.219 ( 0.000 4.460 2.983) 5.365 12.339 ( 0.000 1.019 -4.182) 4.304 12.479 ( 0.000 -5.135 1.461) 5.339 12.495 ( 0.000 -8.466 -1.402) 8.582 13.216 ( 0.000 8.104 -0.891) 8.153 13.278 ( 0.000 1.959 6.771) 7.049 14.364 ( 0.000 11.222 7.166) 13.315 14.845 ( 0.000 -11.437 0.694) 11.458 14.957 ( 0.000 1.235 12.354) 12.416 15.352 ( 0.000 -15.571 2.547) 15.778 19.278 ( 0.000 11.963 -0.090) 11.963 19.293 ( 0.000 16.457 -1.821) 16.558 19.384 ( 0.000 9.970 -1.918) 10.153 19.873 ( 0.000 -8.380 -9.511) 12.676 20.488 ( 0.000 5.241 -10.867) 12.064 20.499 ( 0.000 -0.997 -2.240) 2.452 21.102 ( 0.000 -3.972 -4.952) 6.348 21.122 ( 0.000 -1.983 -7.288) 7.553 22.139 ( 0.000 1.595 0.400) 1.644 22.205 ( 0.000 -1.440 -0.665) 1.586 22.696 ( 0.000 1.459 -1.496) 2.089 22.792 ( 0.000 -3.169 -3.109) 4.440 23.379 ( 0.000 -0.052 12.298) 12.298 23.455 ( 0.000 -5.058 15.225) 16.043 23.690 ( 0.000 5.338 5.130) 7.403 24.032 ( 0.000 -11.954 0.877) 11.986 ======================= Grid point 106 (41/90) ======================= q-point: ( 0.25 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( 8.292 16.617 11.587) 21.889 2.003 ( 8.578 16.689 9.841) 21.189 2.409 ( -4.887 10.678 7.348) 13.853 2.568 ( -9.380 3.565 5.833) 11.607 2.594 ( 0.720 -9.500 1.829) 9.701 2.734 ( -1.992 -8.048 4.768) 9.564 2.900 ( -7.706 -2.385 0.054) 8.067 2.936 ( -3.549 -11.049 6.526) 13.315 3.257 ( 2.925 17.594 3.423) 18.162 3.341 ( 1.035 11.638 -0.211) 11.686 3.598 ( 5.635 5.229 0.269) 7.692 3.672 ( 1.695 -0.181 0.109) 1.708 3.835 ( 2.608 11.722 -0.063) 12.009 3.949 ( 3.818 3.003 -3.314) 5.880 3.957 ( -3.314 12.331 -7.438) 14.778 4.169 ( 0.782 -6.546 -4.370) 7.910 4.318 ( 5.927 -5.181 -5.362) 9.525 4.388 ( -0.477 -4.587 -3.518) 5.801 4.449 ( -0.112 -10.821 0.682) 10.843 4.560 ( -2.240 -9.167 -2.359) 9.727 4.710 ( -2.207 8.831 6.427) 11.143 4.823 ( -2.452 3.468 1.663) 4.562 5.016 ( 0.682 -4.119 1.398) 4.403 5.100 ( -2.841 -7.165 4.176) 8.766 5.606 ( -0.190 10.826 -7.977) 13.449 5.636 ( -0.279 13.426 -8.063) 15.664 5.913 ( 0.407 1.329 -6.420) 6.569 5.950 ( -2.436 -3.425 -4.969) 6.508 6.259 ( 6.824 3.980 -2.285) 8.224 6.441 ( 2.393 1.640 -0.479) 2.940 6.507 ( -0.768 0.787 -6.812) 6.901 6.636 ( 2.226 2.546 -3.956) 5.205 6.742 ( -0.551 11.580 3.052) 11.988 6.916 ( -5.693 7.877 -0.144) 9.720 7.048 ( -0.052 -1.455 1.434) 2.043 7.071 ( -1.209 -4.994 -3.456) 6.192 7.377 ( 0.475 -6.044 -1.204) 6.181 7.467 ( 0.400 -3.449 -3.711) 5.082 7.548 ( 0.671 -10.858 1.461) 10.977 7.682 ( -2.083 -11.195 -3.165) 11.819 8.160 ( -1.303 2.303 1.929) 3.275 8.265 ( -3.182 1.103 1.544) 3.705 8.356 ( 2.625 -5.080 2.592) 6.278 8.445 ( 2.837 -1.914 1.844) 3.887 8.527 ( 4.361 -0.621 1.581) 4.680 8.786 ( -4.242 4.554 1.116) 6.323 8.845 ( 0.666 -9.066 1.093) 9.156 8.936 ( -2.240 -2.069 1.608) 3.447 9.795 ( 1.236 14.415 -3.414) 14.865 9.865 ( -0.737 11.755 -9.060) 14.859 10.361 ( 3.121 -12.620 -8.305) 15.427 10.463 ( -0.444 -15.009 -6.951) 16.546 11.141 ( 1.004 3.295 -3.854) 5.169 11.213 ( -1.790 6.507 -3.746) 7.718 11.289 ( 0.951 -4.242 -0.935) 4.447 11.455 ( -5.755 -4.770 -4.236) 8.592 11.945 ( 2.086 6.956 0.136) 7.263 11.954 ( 2.652 7.765 -3.913) 9.091 12.294 ( 3.249 -2.083 3.822) 5.432 12.405 ( 4.738 2.679 -0.220) 5.448 12.443 ( 0.798 -6.236 -6.179) 8.815 12.598 ( 8.688 -4.038 3.631) 10.246 13.047 ( -13.155 7.385 1.770) 15.189 13.153 ( -10.581 0.461 5.216) 11.806 14.454 ( 7.115 11.634 7.723) 15.672 14.780 ( -5.257 4.609 7.325) 10.126 15.043 ( 6.398 -12.941 5.107) 15.313 15.310 ( -3.740 -16.044 2.458) 16.656 19.264 ( -0.583 12.991 -0.329) 13.008 19.282 ( -0.879 15.873 -1.440) 15.962 19.446 ( 5.008 8.105 -2.815) 9.934 19.773 ( -7.748 -3.281 -8.402) 11.891 20.483 ( 2.557 4.153 -3.962) 6.284 20.607 ( 4.324 2.624 -5.516) 7.484 20.936 ( -5.832 -3.756 -2.409) 7.343 21.135 ( -4.578 -8.091 -7.485) 11.935 22.220 ( 7.088 2.228 -1.367) 7.555 22.312 ( 8.110 -2.136 -3.325) 9.022 22.608 ( -7.243 1.585 -1.915) 7.657 22.699 ( -7.226 -2.753 -3.580) 8.521 23.435 ( 4.973 2.020 11.349) 12.554 23.550 ( 4.547 -0.975 9.898) 10.936 23.713 ( 3.191 -1.974 8.112) 8.938 23.986 ( -4.164 -12.028 2.609) 12.993 ======================= Grid point 107 (42/90) ======================= q-point: (-0.50 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.212 ( -7.777 14.224 9.742) 18.913 2.212 ( 7.777 14.224 9.742) 18.913 2.247 ( -10.542 12.773 8.182) 18.473 2.247 ( 10.542 12.773 8.182) 18.473 2.699 ( -7.984 -9.806 0.049) 12.646 2.699 ( 7.984 -9.806 0.049) 12.646 2.821 ( -6.079 -13.284 4.580) 15.310 2.821 ( 6.079 -13.284 4.580) 15.310 3.329 ( -2.546 15.544 -1.517) 15.824 3.329 ( 2.546 15.544 -1.517) 15.824 3.686 ( -1.461 3.649 1.083) 4.077 3.686 ( 1.461 3.649 1.083) 4.077 3.884 ( -2.400 10.897 -2.503) 11.436 3.884 ( 2.400 10.897 -2.503) 11.436 4.099 ( -7.190 0.293 -4.120) 8.292 4.099 ( 7.190 0.293 -4.120) 8.292 4.392 ( -2.803 -3.979 -0.528) 4.895 4.392 ( 2.803 -3.979 -0.528) 4.895 4.477 ( -4.195 -9.052 -3.055) 10.434 4.477 ( 4.195 -9.052 -3.055) 10.434 4.744 ( -4.008 5.803 3.604) 7.920 4.744 ( 4.008 5.803 3.604) 7.920 5.040 ( -1.978 -5.258 3.600) 6.672 5.040 ( 1.978 -5.258 3.600) 6.672 5.617 ( -1.031 11.795 -7.334) 13.928 5.617 ( 1.031 11.795 -7.334) 13.928 5.923 ( -0.670 -2.366 -5.904) 6.396 5.923 ( 0.670 -2.366 -5.904) 6.396 6.391 ( -4.825 4.358 -4.434) 7.870 6.391 ( 4.825 4.358 -4.434) 7.870 6.597 ( -5.275 -0.535 -1.907) 5.634 6.597 ( 5.275 -0.535 -1.907) 5.634 6.791 ( -4.885 11.234 0.306) 12.254 6.791 ( 4.885 11.234 0.306) 12.254 7.050 ( -0.542 -3.408 -0.794) 3.541 7.050 ( 0.542 -3.408 -0.794) 3.541 7.419 ( -3.016 -3.188 -0.205) 4.394 7.419 ( 3.016 -3.188 -0.205) 4.394 7.614 ( -3.810 -14.109 -3.304) 14.983 7.614 ( 3.810 -14.109 -3.304) 14.983 8.182 ( -3.016 3.485 2.335) 5.166 8.182 ( 3.016 3.485 2.335) 5.166 8.435 ( -3.206 -7.260 1.150) 8.019 8.435 ( 3.206 -7.260 1.150) 8.019 8.657 ( -6.566 4.787 1.757) 8.314 8.657 ( 6.566 4.787 1.757) 8.314 8.883 ( -2.278 -5.634 1.280) 6.210 8.883 ( 2.278 -5.634 1.280) 6.210 9.833 ( -1.924 13.660 -5.869) 14.992 9.833 ( 1.924 13.660 -5.869) 14.992 10.431 ( -2.547 -15.064 -8.067) 17.277 10.431 ( 2.547 -15.064 -8.067) 17.277 11.172 ( -1.714 4.266 -3.992) 6.089 11.172 ( 1.714 4.266 -3.992) 6.089 11.340 ( -3.901 -3.745 -2.519) 5.966 11.340 ( 3.901 -3.745 -2.519) 5.966 11.984 ( -0.586 9.081 -2.394) 9.410 11.984 ( 0.586 9.081 -2.394) 9.410 12.351 ( -3.130 -7.640 -0.563) 8.275 12.351 ( 3.130 -7.640 -0.563) 8.275 12.699 ( -13.852 7.068 -0.171) 15.552 12.699 ( 13.852 7.068 -0.171) 15.552 12.874 ( -12.247 -2.312 5.902) 13.790 12.874 ( 12.247 -2.312 5.902) 13.790 14.630 ( -7.905 10.992 8.653) 16.068 14.630 ( 7.905 10.992 8.653) 16.068 15.194 ( -6.492 -16.618 2.607) 18.031 15.194 ( 6.492 -16.618 2.607) 18.031 19.264 ( -0.568 14.475 -0.810) 14.508 19.264 ( 0.568 14.475 -0.810) 14.508 19.591 ( -7.810 3.825 -5.344) 10.207 19.591 ( 7.810 3.825 -5.344) 10.207 20.579 ( -5.123 6.204 -1.799) 8.245 20.579 ( 5.123 6.204 -1.799) 8.245 20.977 ( -7.530 -9.903 -5.605) 13.645 20.977 ( 7.530 -9.903 -5.605) 13.645 22.413 ( -9.480 2.141 -2.685) 10.083 22.413 ( 9.480 2.141 -2.685) 10.083 22.513 ( -9.195 -2.602 -4.742) 10.667 22.513 ( 9.195 -2.602 -4.742) 10.667 23.546 ( -3.826 4.476 8.448) 10.297 23.546 ( 3.826 4.476 8.448) 10.297 23.853 ( -7.459 -11.516 6.988) 15.398 23.853 ( 7.459 -11.516 6.988) 15.398 ======================= Grid point 110 (43/90) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.166 ( 0.000 -1.117 6.715) 6.807 2.166 ( 0.000 1.117 6.715) 6.807 2.350 ( 0.000 -3.245 6.940) 7.661 2.350 ( 0.000 3.245 6.940) 7.661 2.735 ( 0.000 -11.375 6.842) 13.274 2.735 ( 0.000 11.375 6.842) 13.274 3.006 ( 0.000 -0.753 1.256) 1.464 3.006 ( 0.000 0.753 1.256) 1.464 3.455 ( 0.000 -4.963 8.698) 10.015 3.455 ( 0.000 4.963 8.698) 10.015 3.532 ( 0.000 -8.944 -3.226) 9.508 3.532 ( 0.000 8.944 -3.226) 9.508 3.983 ( 0.000 -0.216 -8.280) 8.283 3.983 ( 0.000 0.216 -8.280) 8.283 4.122 ( 0.000 -3.736 2.044) 4.259 4.122 ( 0.000 3.736 2.044) 4.259 4.248 ( 0.000 -0.485 -2.177) 2.230 4.248 ( 0.000 0.485 -2.177) 2.230 4.354 ( 0.000 -10.413 -4.854) 11.489 4.354 ( 0.000 10.413 -4.854) 11.489 4.894 ( 0.000 -6.753 2.056) 7.059 4.894 ( 0.000 6.753 2.056) 7.059 4.970 ( 0.000 -7.993 3.871) 8.881 4.970 ( 0.000 7.993 3.871) 8.881 5.769 ( 0.000 -3.085 -8.989) 9.503 5.769 ( 0.000 3.085 -8.989) 9.503 5.938 ( 0.000 -0.387 -7.455) 7.466 5.938 ( 0.000 0.387 -7.455) 7.466 6.310 ( 0.000 -7.650 1.929) 7.890 6.310 ( 0.000 7.650 1.929) 7.890 6.597 ( 0.000 -1.292 -11.591) 11.663 6.597 ( 0.000 1.292 -11.591) 11.663 6.938 ( 0.000 -9.527 -0.590) 9.545 6.938 ( 0.000 9.527 -0.590) 9.545 7.081 ( 0.000 -1.456 3.683) 3.960 7.081 ( 0.000 1.456 3.683) 3.960 7.284 ( 0.000 -3.996 -2.089) 4.509 7.284 ( 0.000 3.996 -2.089) 4.509 7.575 ( 0.000 -4.361 -0.009) 4.361 7.575 ( 0.000 4.361 -0.009) 4.361 8.229 ( 0.000 -1.354 0.216) 1.371 8.229 ( 0.000 1.354 0.216) 1.371 8.342 ( 0.000 -4.305 2.404) 4.931 8.342 ( 0.000 4.305 2.404) 4.931 8.604 ( 0.000 -11.307 3.353) 11.793 8.604 ( 0.000 11.307 3.353) 11.793 8.928 ( 0.000 -2.980 1.611) 3.387 8.928 ( 0.000 2.980 1.611) 3.387 10.026 ( 0.000 -0.878 -8.315) 8.361 10.026 ( 0.000 0.878 -8.315) 8.361 10.188 ( 0.000 -5.657 -5.286) 7.742 10.188 ( 0.000 5.657 -5.286) 7.742 11.199 ( 0.000 -3.712 -2.332) 4.383 11.199 ( 0.000 3.712 -2.332) 4.383 11.395 ( 0.000 -7.762 -5.534) 9.533 11.395 ( 0.000 7.762 -5.534) 9.533 11.989 ( 0.000 -0.301 0.561) 0.637 11.989 ( 0.000 0.301 0.561) 0.637 12.325 ( 0.000 -6.481 1.558) 6.666 12.325 ( 0.000 6.481 1.558) 6.666 12.389 ( 0.000 -2.931 -1.753) 3.415 12.389 ( 0.000 2.931 -1.753) 3.415 13.297 ( 0.000 -0.780 3.489) 3.575 13.297 ( 0.000 0.780 3.489) 3.575 14.605 ( 0.000 -12.657 3.407) 13.108 14.605 ( 0.000 12.657 3.407) 13.108 15.084 ( 0.000 -10.837 6.588) 12.682 15.084 ( 0.000 10.837 6.588) 12.682 19.443 ( 0.000 -3.378 -0.862) 3.486 19.443 ( 0.000 3.378 -0.862) 3.486 19.621 ( 0.000 -15.448 -3.777) 15.903 19.621 ( 0.000 15.448 -3.777) 15.903 20.515 ( 0.000 -1.587 -6.192) 6.392 20.515 ( 0.000 1.587 -6.192) 6.392 21.082 ( 0.000 -1.468 -8.044) 8.177 21.082 ( 0.000 1.468 -8.044) 8.177 22.173 ( 0.000 -1.773 -0.114) 1.777 22.173 ( 0.000 1.773 -0.114) 1.777 22.735 ( 0.000 -2.517 -1.943) 3.180 22.735 ( 0.000 2.517 -1.943) 3.180 23.392 ( 0.000 -1.613 13.729) 13.823 23.392 ( 0.000 1.613 13.729) 13.823 23.828 ( 0.000 -8.690 3.010) 9.196 23.828 ( 0.000 8.690 3.010) 9.196 ======================= Grid point 112 (44/90) ======================= q-point: ( 0.25 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.243 ( 7.051 -6.088 5.851) 11.001 2.243 ( 7.051 6.088 5.851) 11.001 2.393 ( 4.089 -7.013 6.551) 10.431 2.393 ( 4.089 7.013 6.551) 10.431 2.675 ( -5.245 -11.861 6.142) 14.350 2.675 ( -5.245 11.861 6.142) 14.350 2.807 ( -14.366 -5.593 3.621) 15.836 2.807 ( -14.366 5.593 3.621) 15.836 3.529 ( 4.217 -7.684 4.539) 9.871 3.529 ( 4.217 7.684 4.539) 9.871 3.576 ( 2.765 -5.508 -3.312) 6.997 3.576 ( 2.765 5.508 -3.312) 6.997 4.021 ( 3.004 -1.361 -5.420) 6.345 4.021 ( 3.004 1.361 -5.420) 6.345 4.135 ( -0.390 -1.009 -1.729) 2.039 4.135 ( -0.390 1.009 -1.729) 2.039 4.234 ( 1.877 -4.280 -0.352) 4.686 4.234 ( 1.877 4.280 -0.352) 4.686 4.388 ( 0.792 -5.699 -4.611) 7.373 4.388 ( 0.792 5.699 -4.611) 7.373 4.889 ( -0.370 -8.060 3.763) 8.903 4.889 ( -0.370 8.060 3.763) 8.903 4.941 ( -2.261 -7.806 4.446) 9.264 4.941 ( -2.261 7.806 4.446) 9.264 5.775 ( 0.934 -4.513 -7.831) 9.086 5.775 ( 0.934 4.513 -7.831) 9.086 5.899 ( -3.178 -2.847 -6.786) 8.016 5.899 ( -3.178 2.847 -6.786) 8.016 6.375 ( 5.294 -6.913 -1.913) 8.915 6.375 ( 5.294 6.913 -1.913) 8.915 6.587 ( -1.433 -5.903 -8.456) 10.411 6.587 ( -1.433 5.903 -8.456) 10.411 6.950 ( 0.978 -8.259 -1.332) 8.423 6.950 ( 0.978 8.259 -1.332) 8.423 7.046 ( -2.691 -2.295 2.990) 4.632 7.046 ( -2.691 2.295 2.990) 4.632 7.311 ( 2.737 -4.155 -1.750) 5.275 7.311 ( 2.737 4.155 -1.750) 5.275 7.523 ( -4.396 -4.387 -0.375) 6.222 7.523 ( -4.396 4.387 -0.375) 6.222 8.233 ( 1.196 -4.951 1.254) 5.245 8.233 ( 1.196 4.951 1.254) 5.245 8.343 ( -1.058 -5.077 2.055) 5.578 8.343 ( -1.058 5.077 2.055) 5.578 8.654 ( 4.267 -9.195 2.513) 10.443 8.654 ( 4.267 9.195 2.513) 10.443 8.879 ( -4.041 -3.804 1.674) 5.796 8.879 ( -4.041 3.804 1.674) 5.796 10.057 ( 2.555 -4.967 -7.838) 9.625 10.057 ( 2.555 4.967 -7.838) 9.625 10.174 ( -1.429 -6.690 -5.787) 8.960 10.174 ( -1.429 6.690 -5.787) 8.960 11.211 ( 1.210 -3.699 -2.825) 4.809 11.211 ( 1.210 3.699 -2.825) 4.809 11.343 ( -3.895 -6.275 -4.909) 8.868 11.343 ( -3.895 6.275 -4.909) 8.868 12.049 ( 4.846 -1.188 -0.349) 5.002 12.049 ( 4.846 1.188 -0.349) 5.002 12.286 ( -3.719 -4.486 -1.097) 5.929 12.286 ( -3.719 4.486 -1.097) 5.929 12.510 ( 10.581 -4.745 1.898) 11.751 12.510 ( 10.581 4.745 1.898) 11.751 13.139 ( -12.700 -2.339 3.643) 13.417 13.139 ( -12.700 2.339 3.643) 13.417 14.702 ( 7.569 -12.476 3.932) 15.113 14.702 ( 7.569 12.476 3.932) 15.113 15.030 ( -4.770 -11.237 6.181) 13.683 15.030 ( -4.770 11.237 6.181) 13.683 19.461 ( 1.676 -5.681 -1.275) 6.059 19.461 ( 1.676 5.681 -1.275) 6.059 19.585 ( -2.878 -13.552 -3.357) 14.255 19.585 ( -2.878 13.552 -3.357) 14.255 20.586 ( 6.071 -5.268 -5.434) 9.703 20.586 ( 6.071 5.268 -5.434) 9.703 20.974 ( -8.510 -7.121 -6.052) 12.639 20.974 ( -8.510 7.121 -6.052) 12.639 22.266 ( 7.493 -2.395 -2.213) 8.172 22.266 ( 7.493 2.395 -2.213) 8.172 22.648 ( -7.031 -2.375 -2.562) 7.851 22.648 ( -7.031 2.375 -2.562) 7.851 23.489 ( 7.503 -3.495 11.882) 14.480 23.489 ( 7.503 3.495 11.882) 14.480 23.788 ( -3.682 -7.775 4.569) 9.740 23.788 ( -3.682 7.775 4.569) 9.740 ======================= Grid point 114 (45/90) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.470 ( -10.691 -9.469 5.468) 15.292 2.470 ( 7.965 -8.771 5.468) 13.049 2.470 ( -7.965 8.771 5.468) 13.049 2.470 ( 10.691 9.469 5.468) 15.292 2.535 ( -4.775 -12.662 5.071) 14.452 2.535 ( 4.757 -12.661 5.071) 14.444 2.535 ( -4.757 12.661 5.071) 14.444 2.535 ( 4.775 12.662 5.071) 14.452 3.596 ( -0.858 -10.454 -0.149) 10.490 3.596 ( 0.750 -10.451 -0.149) 10.479 3.596 ( -0.750 10.451 -0.149) 10.479 3.596 ( 0.858 10.454 -0.149) 10.490 4.091 ( -2.457 -6.327 -3.985) 7.871 4.091 ( 1.942 -6.282 -3.985) 7.689 4.091 ( -1.942 6.282 -3.985) 7.689 4.091 ( 2.457 6.327 -3.985) 7.871 4.337 ( -5.029 -2.113 -2.065) 5.833 4.337 ( -2.871 0.448 -2.065) 3.565 4.337 ( 2.871 -0.448 -2.065) 3.565 4.337 ( 5.029 2.113 -2.065) 5.833 4.895 ( -1.265 -8.480 5.249) 10.053 4.895 ( 1.239 -8.479 5.249) 10.049 4.895 ( -1.239 8.479 5.249) 10.049 4.895 ( 1.265 8.480 5.249) 10.053 5.822 ( -2.414 -7.988 -6.775) 10.749 5.822 ( 1.708 -7.942 -6.775) 10.578 5.822 ( -1.708 7.942 -6.775) 10.578 5.822 ( 2.414 7.988 -6.775) 10.749 6.507 ( -5.663 -6.918 -5.515) 10.504 6.507 ( 5.640 -6.914 -5.515) 10.489 6.507 ( -5.640 6.914 -5.515) 10.489 6.507 ( 5.663 6.918 -5.515) 10.504 6.986 ( -2.132 -6.421 0.457) 6.781 6.986 ( 1.884 -6.402 0.457) 6.689 6.986 ( -1.884 6.402 0.457) 6.689 6.986 ( 2.132 6.421 0.457) 6.781 7.406 ( -5.424 -4.810 -1.063) 7.327 7.406 ( 5.069 -4.712 -1.063) 7.002 7.406 ( -5.069 4.712 -1.063) 7.002 7.406 ( 5.424 4.810 -1.063) 7.327 8.288 ( -3.132 -6.894 1.875) 7.801 8.288 ( 3.001 -6.879 1.875) 7.736 8.288 ( -3.001 6.879 1.875) 7.736 8.288 ( 3.132 6.894 1.875) 7.801 8.769 ( -5.510 -5.911 1.798) 8.279 8.769 ( 5.510 -5.911 1.798) 8.278 8.769 ( -5.510 5.911 1.798) 8.278 8.769 ( 5.510 5.911 1.798) 8.279 10.123 ( -1.619 -15.492 -6.822) 17.005 10.123 ( 1.164 -15.482 -6.822) 16.959 10.123 ( -1.164 15.482 -6.822) 16.959 10.123 ( 1.619 15.492 -6.822) 17.005 11.259 ( -3.151 -4.400 -3.867) 6.651 11.259 ( 3.104 -4.392 -3.867) 6.624 11.259 ( -3.104 4.392 -3.867) 6.624 11.259 ( 3.151 4.400 -3.867) 6.651 12.175 ( -3.083 -9.446 -1.236) 10.013 12.175 ( -0.084 -9.319 -1.236) 9.401 12.175 ( 0.084 9.319 -1.236) 9.401 12.175 ( 3.083 9.446 -1.236) 10.013 12.811 ( -15.234 -4.082 3.464) 16.148 12.811 ( -13.831 2.543 3.464) 14.484 12.811 ( 13.831 -2.543 3.464) 14.484 12.811 ( 15.234 4.082 3.464) 16.148 14.884 ( -7.090 -14.430 5.115) 16.872 14.884 ( 5.553 -14.261 5.115) 16.136 14.884 ( -5.553 14.261 5.115) 16.136 14.884 ( 7.090 14.430 5.115) 16.872 19.515 ( -2.988 -9.807 -2.301) 10.507 19.515 ( 2.959 -9.804 -2.301) 10.496 19.515 ( -2.959 9.804 -2.301) 10.496 19.515 ( 2.988 9.807 -2.301) 10.507 20.764 ( -8.162 -10.882 -4.644) 14.374 20.764 ( 3.890 -10.273 -4.644) 11.926 20.764 ( -3.890 10.273 -4.644) 11.926 20.764 ( 8.162 10.882 -4.644) 14.374 22.460 ( -9.237 -2.603 -3.560) 10.236 22.460 ( -9.204 2.574 -3.560) 10.199 22.460 ( 9.204 -2.574 -3.560) 10.199 22.460 ( 9.237 2.603 -3.560) 10.236 23.664 ( -6.447 -7.454 8.161) 12.796 23.664 ( 2.790 -6.864 8.161) 11.022 23.664 ( -2.790 6.864 8.161) 11.022 23.664 ( 6.447 7.454 8.161) 12.796 ======================= Grid point 135 (46/90) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( 0.000 0.000 24.042) 24.042 1.621 ( 0.000 0.000 25.420) 25.420 2.084 ( 0.000 0.000 7.198) 7.198 2.298 ( 0.000 0.000 -2.197) 2.197 2.387 ( 0.000 0.000 12.718) 12.718 2.641 ( 0.000 0.000 19.403) 19.403 2.733 ( 0.000 0.000 -8.831) 8.831 2.790 ( 0.000 0.000 -6.579) 6.579 3.125 ( 0.000 0.000 0.432) 0.432 3.142 ( 0.000 0.000 -0.113) 0.113 3.148 ( 0.000 0.000 -12.809) 12.809 3.284 ( 0.000 0.000 -8.682) 8.682 3.604 ( 0.000 0.000 1.811) 1.811 3.692 ( 0.000 0.000 0.935) 0.935 4.014 ( 0.000 0.000 2.354) 2.354 4.213 ( 0.000 0.000 -4.624) 4.624 4.502 ( 0.000 0.000 -7.930) 7.930 4.629 ( 0.000 0.000 -0.525) 0.525 4.631 ( 0.000 0.000 -3.800) 3.800 4.692 ( 0.000 0.000 -2.051) 2.051 4.807 ( 0.000 0.000 -3.310) 3.310 4.872 ( 0.000 0.000 -10.518) 10.518 5.000 ( 0.000 0.000 2.998) 2.998 5.067 ( 0.000 0.000 -4.643) 4.643 5.072 ( 0.000 0.000 11.264) 11.264 5.430 ( 0.000 0.000 5.369) 5.369 5.871 ( 0.000 0.000 5.869) 5.869 6.088 ( 0.000 0.000 7.200) 7.200 6.128 ( 0.000 0.000 9.001) 9.001 6.214 ( 0.000 0.000 -11.551) 11.551 6.278 ( 0.000 0.000 -2.001) 2.001 6.357 ( 0.000 0.000 0.173) 0.173 6.369 ( 0.000 0.000 6.128) 6.128 6.832 ( 0.000 0.000 -9.191) 9.191 7.071 ( 0.000 0.000 -5.959) 5.959 7.123 ( 0.000 0.000 -9.160) 9.160 7.177 ( 0.000 0.000 -9.243) 9.243 7.381 ( 0.000 0.000 -10.657) 10.657 8.005 ( 0.000 0.000 11.653) 11.653 8.237 ( 0.000 0.000 5.707) 5.707 8.348 ( 0.000 0.000 1.265) 1.265 8.447 ( 0.000 0.000 -2.673) 2.673 8.502 ( 0.000 0.000 -5.599) 5.599 8.583 ( 0.000 0.000 3.994) 3.994 8.888 ( 0.000 0.000 -1.812) 1.812 8.896 ( 0.000 0.000 2.204) 2.204 8.930 ( 0.000 0.000 -0.751) 0.751 8.971 ( 0.000 0.000 -9.715) 9.715 9.104 ( 0.000 0.000 -0.374) 0.374 9.240 ( 0.000 0.000 3.593) 3.593 10.516 ( 0.000 0.000 -5.222) 5.222 10.663 ( 0.000 0.000 -8.743) 8.743 10.937 ( 0.000 0.000 -1.236) 1.236 10.948 ( 0.000 0.000 -1.010) 1.010 11.566 ( 0.000 0.000 6.886) 6.886 11.640 ( 0.000 0.000 -10.283) 10.283 11.647 ( 0.000 0.000 -6.124) 6.124 11.782 ( 0.000 0.000 7.594) 7.594 11.999 ( 0.000 0.000 -4.013) 4.013 12.255 ( 0.000 0.000 4.849) 4.849 12.262 ( 0.000 0.000 -3.606) 3.606 12.650 ( 0.000 0.000 -3.903) 3.903 13.019 ( 0.000 0.000 11.586) 11.586 13.343 ( 0.000 0.000 2.936) 2.936 14.294 ( 0.000 0.000 14.602) 14.602 15.152 ( 0.000 0.000 -5.269) 5.269 15.771 ( 0.000 0.000 -0.556) 0.556 15.979 ( 0.000 0.000 -5.331) 5.331 18.655 ( 0.000 0.000 0.417) 0.417 18.684 ( 0.000 0.000 0.272) 0.272 18.691 ( 0.000 0.000 -0.368) 0.368 18.710 ( 0.000 0.000 -0.264) 0.264 20.531 ( 0.000 0.000 1.269) 1.269 20.629 ( 0.000 0.000 -0.319) 0.319 21.105 ( 0.000 0.000 -2.010) 2.010 21.288 ( 0.000 0.000 -3.562) 3.562 22.111 ( 0.000 0.000 0.936) 0.936 22.213 ( 0.000 0.000 -1.534) 1.534 22.646 ( 0.000 0.000 -0.773) 0.773 22.803 ( 0.000 0.000 -5.220) 5.220 23.604 ( 0.000 0.000 11.797) 11.797 23.751 ( 0.000 0.000 7.727) 7.727 23.929 ( 0.000 0.000 1.145) 1.145 24.548 ( 0.000 0.000 -11.928) 11.928 ======================= Grid point 136 (47/90) ======================= q-point: ( 0.25 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( 7.435 0.000 20.976) 22.255 1.790 ( 12.902 0.000 21.709) 25.253 1.998 ( -6.959 0.000 9.522) 11.793 2.314 ( -7.097 0.000 12.719) 14.565 2.352 ( 4.216 0.000 -3.062) 5.211 2.609 ( -6.659 0.000 -6.124) 9.047 2.685 ( 3.875 0.000 9.547) 10.303 2.898 ( 5.487 0.000 -9.330) 10.824 2.944 ( -7.136 0.000 -7.404) 10.283 3.108 ( -3.364 0.000 -12.177) 12.633 3.188 ( 1.045 0.000 2.573) 2.777 3.410 ( 6.809 0.000 4.979) 8.435 3.693 ( 1.799 0.000 1.283) 2.209 3.742 ( 7.737 0.000 -1.158) 7.823 4.075 ( 5.310 0.000 1.691) 5.573 4.263 ( 3.709 0.000 -2.455) 4.448 4.426 ( -5.708 0.000 -7.118) 9.124 4.547 ( -5.621 0.000 -1.896) 5.932 4.630 ( -4.557 0.000 1.516) 4.802 4.663 ( 2.723 0.000 -6.049) 6.634 4.834 ( -14.250 0.000 20.539) 24.998 4.862 ( 3.117 0.000 -6.012) 6.772 4.894 ( 1.357 0.000 -9.436) 9.533 4.959 ( -6.494 0.000 -2.429) 6.934 5.099 ( 3.114 0.000 -2.675) 4.105 5.343 ( -6.026 0.000 0.232) 6.030 5.904 ( 2.984 0.000 6.413) 7.073 6.088 ( 2.133 0.000 -0.523) 2.196 6.099 ( -3.057 0.000 8.795) 9.311 6.226 ( -2.224 0.000 -0.449) 2.269 6.328 ( -1.213 0.000 1.859) 2.219 6.359 ( -1.074 0.000 5.057) 5.169 6.463 ( 13.767 0.000 -5.549) 14.844 6.828 ( -1.310 0.000 -9.083) 9.177 7.082 ( 0.847 0.000 -6.662) 6.716 7.117 ( -0.523 0.000 -8.787) 8.802 7.206 ( 2.391 0.000 -8.498) 8.828 7.351 ( -2.772 0.000 -9.141) 9.552 8.086 ( 6.827 0.000 10.856) 12.824 8.245 ( -0.423 0.000 3.123) 3.151 8.312 ( -2.399 0.000 0.288) 2.416 8.379 ( 1.153 0.000 1.295) 1.733 8.478 ( -8.000 0.000 6.250) 10.151 8.548 ( -1.353 0.000 -3.821) 4.054 8.935 ( 2.436 0.000 -3.852) 4.558 8.943 ( 3.635 0.000 -2.501) 4.413 8.988 ( 3.583 0.000 -4.844) 6.025 8.995 ( 1.276 0.000 -8.299) 8.396 9.106 ( 0.785 0.000 2.455) 2.577 9.218 ( -1.983 0.000 3.832) 4.315 10.533 ( 1.500 0.000 -5.589) 5.787 10.636 ( -2.214 0.000 -8.012) 8.312 10.976 ( 2.966 0.000 -0.799) 3.071 11.004 ( 4.050 0.000 -2.097) 4.561 11.476 ( -3.225 0.000 -0.149) 3.229 11.593 ( -3.730 0.000 -9.034) 9.774 11.776 ( 6.929 0.000 -2.854) 7.494 11.829 ( 4.048 0.000 6.649) 7.784 11.984 ( -1.646 0.000 -4.077) 4.396 12.099 ( -7.158 0.000 2.607) 7.618 12.410 ( 6.373 0.000 -1.160) 6.478 12.620 ( -2.657 0.000 -3.538) 4.425 13.035 ( 1.866 0.000 10.761) 10.922 13.267 ( -6.155 0.000 4.369) 7.548 14.384 ( 7.819 0.000 14.040) 16.070 14.957 ( -14.593 0.000 3.370) 14.977 15.826 ( 3.787 0.000 -4.339) 5.759 15.963 ( -1.569 0.000 -5.693) 5.905 18.658 ( 0.283 0.000 0.357) 0.456 18.677 ( -0.463 0.000 0.138) 0.483 18.697 ( 0.334 0.000 -0.197) 0.388 18.708 ( -0.147 0.000 -0.241) 0.282 20.549 ( 2.820 0.000 2.097) 3.514 20.699 ( 2.392 0.000 1.074) 2.622 21.054 ( -0.497 0.000 -3.186) 3.225 21.287 ( -2.615 0.000 -6.012) 6.557 22.150 ( 4.538 0.000 0.508) 4.566 22.288 ( 5.528 0.000 -3.798) 6.707 22.558 ( -7.004 0.000 -0.505) 7.022 22.703 ( -8.023 0.000 -4.839) 9.370 23.582 ( 0.055 0.000 11.074) 11.074 23.682 ( -2.938 0.000 8.354) 8.855 24.153 ( 13.212 0.000 -1.352) 13.281 24.525 ( -2.651 0.000 -9.779) 10.132 ======================= Grid point 137 (48/90) ======================= q-point: (-0.50 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( -9.700 0.000 14.815) 17.708 1.806 ( 9.700 0.000 14.815) 17.708 2.088 ( -12.619 0.000 16.628) 20.874 2.088 ( 12.619 0.000 16.628) 20.874 2.467 ( -5.987 0.000 -4.440) 7.454 2.467 ( 5.987 0.000 -4.440) 7.454 2.793 ( -6.004 0.000 -6.797) 9.069 2.793 ( 6.004 0.000 -6.797) 9.069 3.013 ( -4.916 0.000 -10.972) 12.023 3.013 ( 4.916 0.000 -10.972) 12.023 3.346 ( -9.722 0.000 6.945) 11.947 3.346 ( 9.722 0.000 6.945) 11.947 3.806 ( -3.870 0.000 1.808) 4.272 3.806 ( 3.870 0.000 1.808) 4.272 4.225 ( -7.282 0.000 1.151) 7.372 4.225 ( 7.282 0.000 1.151) 7.372 4.417 ( -5.432 0.000 -5.774) 7.928 4.417 ( 5.432 0.000 -5.774) 7.928 4.578 ( -3.232 0.000 11.848) 12.280 4.578 ( 3.232 0.000 11.848) 12.280 4.798 ( -7.042 0.000 -2.948) 7.634 4.798 ( 7.042 0.000 -2.948) 7.634 4.906 ( -0.631 0.000 -8.309) 8.333 4.906 ( 0.631 0.000 -8.309) 8.333 5.204 ( -5.984 0.000 -2.320) 6.418 5.204 ( 5.984 0.000 -2.320) 6.418 5.999 ( -5.182 0.000 7.549) 9.156 5.999 ( 5.182 0.000 7.549) 9.156 6.159 ( -3.519 0.000 -0.546) 3.561 6.159 ( 3.519 0.000 -0.546) 3.561 6.331 ( -1.161 0.000 3.965) 4.131 6.331 ( 1.161 0.000 3.965) 4.131 6.724 ( -8.583 0.000 -7.494) 11.395 6.724 ( 8.583 0.000 -7.494) 11.395 7.101 ( -0.818 0.000 -7.860) 7.903 7.101 ( 0.818 0.000 -7.860) 7.903 7.274 ( -3.588 0.000 -7.560) 8.368 7.274 ( 3.588 0.000 -7.560) 8.368 8.258 ( -2.107 0.000 1.848) 2.803 8.258 ( 2.107 0.000 1.848) 2.803 8.276 ( -9.548 0.000 8.898) 13.052 8.276 ( 9.548 0.000 8.898) 13.052 8.467 ( -5.011 0.000 -1.220) 5.157 8.467 ( 5.011 0.000 -1.220) 5.157 8.985 ( -1.853 0.000 -7.815) 8.032 8.985 ( 1.853 0.000 -7.815) 8.032 9.010 ( -1.683 0.000 -4.718) 5.009 9.010 ( 1.683 0.000 -4.718) 5.009 9.157 ( -3.175 0.000 4.484) 5.494 9.157 ( 3.175 0.000 4.484) 5.494 10.580 ( -2.551 0.000 -6.631) 7.105 10.580 ( 2.551 0.000 -6.631) 7.105 11.040 ( -1.606 0.000 -0.940) 1.861 11.040 ( 1.606 0.000 -0.940) 1.861 11.492 ( -4.224 0.000 -6.737) 7.952 11.492 ( 4.224 0.000 -6.737) 7.952 11.912 ( -4.953 0.000 -3.476) 6.050 11.912 ( 4.953 0.000 -3.476) 6.050 11.948 ( -6.342 0.000 4.649) 7.863 11.948 ( 6.342 0.000 4.649) 7.863 12.535 ( -4.872 0.000 -2.545) 5.497 12.535 ( 4.872 0.000 -2.545) 5.497 13.121 ( -5.879 0.000 7.805) 9.771 13.121 ( 5.879 0.000 7.805) 9.771 14.626 ( -13.677 0.000 11.435) 17.828 14.626 ( 13.677 0.000 11.435) 17.828 15.908 ( -3.312 0.000 -6.080) 6.924 15.908 ( 3.312 0.000 -6.080) 6.924 18.666 ( -0.458 0.000 0.226) 0.511 18.666 ( 0.458 0.000 0.226) 0.511 18.704 ( -0.277 0.000 -0.199) 0.341 18.704 ( 0.277 0.000 -0.199) 0.341 20.648 ( -5.166 0.000 3.173) 6.062 20.648 ( 5.166 0.000 3.173) 6.062 21.158 ( -7.598 0.000 -6.402) 9.936 21.158 ( 7.598 0.000 -6.402) 9.936 22.302 ( -7.400 0.000 -2.402) 7.780 22.302 ( 7.400 0.000 -2.402) 7.780 22.515 ( -7.070 0.000 -3.161) 7.745 22.515 ( 7.070 0.000 -3.161) 7.745 23.620 ( -2.672 0.000 9.536) 9.903 23.620 ( 2.672 0.000 9.536) 9.903 24.403 ( -8.636 0.000 -5.517) 10.247 24.403 ( 8.636 0.000 -5.517) 10.247 ======================= Grid point 140 (49/90) ======================= q-point: ( 0.00 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( 0.000 11.207 22.184) 24.854 1.679 ( 0.000 5.970 22.988) 23.751 2.258 ( 0.000 15.436 6.117) 16.603 2.410 ( 0.000 3.190 11.745) 12.171 2.438 ( 0.000 12.391 -0.108) 12.392 2.692 ( 0.000 5.307 14.112) 15.077 2.853 ( 0.000 11.441 -7.556) 13.711 2.930 ( 0.000 12.034 -4.004) 12.683 3.089 ( 0.000 -2.201 1.763) 2.820 3.113 ( 0.000 -3.410 0.908) 3.529 3.218 ( 0.000 3.952 -12.042) 12.674 3.307 ( 0.000 5.373 -9.380) 10.810 3.574 ( 0.000 -2.081 2.076) 2.939 3.658 ( 0.000 -2.953 0.871) 3.079 4.002 ( 0.000 -1.483 2.639) 3.027 4.227 ( 0.000 0.241 -5.414) 5.420 4.378 ( 0.000 -9.072 -6.312) 11.052 4.640 ( 0.000 -0.108 -0.947) 0.953 4.676 ( 0.000 1.424 -4.114) 4.354 4.725 ( 0.000 2.797 -2.270) 3.602 4.808 ( 0.000 -3.811 -3.197) 4.975 4.836 ( 0.000 2.318 -0.157) 2.324 4.975 ( 0.000 -1.770 3.002) 3.485 5.053 ( 0.000 -0.500 6.806) 6.824 5.128 ( 0.000 4.289 -9.372) 10.307 5.409 ( 0.000 -1.784 3.655) 4.067 5.797 ( 0.000 -4.820 1.884) 5.175 6.095 ( 0.000 -0.997 4.621) 4.727 6.114 ( 0.000 -2.876 -1.820) 3.403 6.271 ( 0.000 6.677 -1.461) 6.834 6.359 ( 0.000 5.976 0.880) 6.040 6.401 ( 0.000 2.926 0.384) 2.951 6.436 ( 0.000 7.886 5.542) 9.639 6.795 ( 0.000 -2.149 -8.384) 8.655 7.062 ( 0.000 -2.765 -9.796) 10.179 7.120 ( 0.000 3.301 -7.566) 8.255 7.277 ( 0.000 5.907 -7.456) 9.513 7.315 ( 0.000 -4.498 -5.891) 7.411 8.040 ( 0.000 1.616 8.666) 8.816 8.118 ( 0.000 -10.908 5.345) 12.147 8.278 ( 0.000 -5.684 2.304) 6.133 8.395 ( 0.000 -4.292 -2.561) 4.998 8.442 ( 0.000 -5.604 -4.552) 7.220 8.630 ( 0.000 3.692 4.093) 5.512 8.741 ( 0.000 -8.734 2.177) 9.001 8.780 ( 0.000 -7.890 -2.773) 8.363 8.940 ( 0.000 2.124 -0.676) 2.229 9.029 ( 0.000 -0.402 -7.875) 7.885 9.263 ( 0.000 11.306 -2.978) 11.692 9.329 ( 0.000 8.278 3.495) 8.986 10.536 ( 0.000 1.176 -6.342) 6.451 10.574 ( 0.000 -7.777 -7.634) 10.898 10.968 ( 0.000 2.377 -1.638) 2.887 10.974 ( 0.000 2.536 -1.211) 2.811 11.595 ( 0.000 -1.258 -2.478) 2.780 11.617 ( 0.000 -4.678 -4.738) 6.658 11.655 ( 0.000 5.175 -1.224) 5.317 11.726 ( 0.000 -3.604 4.282) 5.597 12.002 ( 0.000 3.543 -0.290) 3.555 12.264 ( 0.000 0.096 -3.524) 3.525 12.412 ( 0.000 11.252 0.847) 11.284 12.634 ( 0.000 -1.714 -3.740) 4.114 13.019 ( 0.000 0.458 11.387) 11.396 13.346 ( 0.000 0.353 3.430) 3.448 14.319 ( 0.000 2.533 13.900) 14.128 15.115 ( 0.000 -3.699 -4.565) 5.875 15.591 ( 0.000 -15.065 4.436) 15.705 15.881 ( 0.000 -9.350 -4.461) 10.360 18.763 ( 0.000 7.872 0.189) 7.874 18.781 ( 0.000 11.837 -0.226) 11.840 18.792 ( 0.000 8.642 -0.365) 8.650 18.963 ( 0.000 22.935 -7.573) 24.153 20.494 ( 0.000 -3.541 1.310) 3.776 20.602 ( 0.000 -2.606 -0.487) 2.651 21.095 ( 0.000 -1.005 -2.395) 2.597 21.254 ( 0.000 -3.472 -3.399) 4.859 22.115 ( 0.000 0.434 0.942) 1.037 22.212 ( 0.000 -0.108 -1.422) 1.426 22.646 ( 0.000 0.062 -0.851) 0.853 22.792 ( 0.000 -1.104 -5.070) 5.189 23.604 ( 0.000 -0.043 11.590) 11.590 23.747 ( 0.000 -0.229 7.506) 7.510 23.886 ( 0.000 -4.017 2.893) 4.951 24.452 ( 0.000 -8.861 -9.052) 12.667 ======================= Grid point 141 (50/90) ======================= q-point: ( 0.25 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( 7.983 11.184 19.704) 24.022 1.833 ( 11.815 4.545 19.451) 23.208 2.161 ( -7.718 13.991 8.354) 18.031 2.336 ( -6.941 3.181 11.963) 14.192 2.489 ( 3.784 12.451 -0.257) 13.015 2.681 ( -1.646 6.211 0.726) 6.466 2.765 ( -3.738 6.890 -1.121) 7.918 2.936 ( -7.248 1.155 -6.908) 10.079 3.020 ( 5.503 10.032 -8.159) 14.053 3.172 ( 3.064 -0.541 4.376) 5.369 3.215 ( -2.682 9.731 -11.585) 15.366 3.394 ( 5.976 -1.071 6.121) 8.621 3.621 ( 0.954 -6.340 0.208) 6.415 3.692 ( 4.855 -3.349 -1.250) 6.029 4.081 ( 6.501 -0.267 2.210) 6.871 4.298 ( 5.086 1.596 -3.972) 6.648 4.351 ( -2.676 -6.319 -6.255) 9.285 4.549 ( -6.350 -0.043 -0.377) 6.361 4.643 ( -3.367 0.403 0.879) 3.504 4.689 ( -0.822 1.847 -4.211) 4.671 4.794 ( -6.001 -4.415 9.747) 12.268 4.829 ( -2.300 -0.461 1.901) 3.019 4.923 ( -0.583 4.329 -3.675) 5.709 4.965 ( -3.657 -0.124 -2.248) 4.295 5.156 ( 2.272 4.595 -7.165) 8.810 5.339 ( -4.892 -0.252 -0.302) 4.908 5.847 ( 3.802 -4.060 1.892) 5.875 6.021 ( -2.454 -3.617 0.209) 4.376 6.203 ( 1.588 4.667 6.147) 7.880 6.311 ( -0.594 4.364 -1.253) 4.579 6.360 ( -0.205 3.332 2.092) 3.940 6.378 ( 0.602 4.952 0.512) 5.014 6.488 ( 6.681 3.274 0.894) 7.494 6.771 ( -2.337 -3.780 -7.525) 8.739 7.079 ( 1.425 -2.427 -8.810) 9.248 7.130 ( 0.362 2.321 -8.479) 8.799 7.283 ( 0.573 5.427 -6.744) 8.675 7.314 ( -0.455 -1.845 -6.431) 6.706 8.081 ( 3.690 -2.337 8.043) 9.153 8.132 ( 0.644 -10.684 3.627) 11.301 8.252 ( -1.985 -4.996 1.589) 5.606 8.321 ( -1.922 -2.606 1.406) 3.530 8.479 ( -0.708 -4.064 -2.437) 4.791 8.560 ( -3.478 3.156 3.584) 5.908 8.790 ( 2.254 -8.686 0.427) 8.984 8.810 ( 1.702 -8.701 -3.163) 9.414 8.959 ( 1.747 0.484 -2.771) 3.311 9.033 ( -0.137 -1.259 -6.897) 7.012 9.286 ( 1.544 11.166 -2.601) 11.568 9.324 ( -0.415 8.949 2.696) 9.355 10.550 ( 1.229 0.782 -6.699) 6.856 10.588 ( 0.583 -4.951 -8.205) 9.601 10.994 ( 2.107 1.594 -1.268) 2.931 11.007 ( 2.603 0.699 -1.706) 3.190 11.473 ( -4.363 -0.831 -0.525) 4.472 11.571 ( -4.522 -3.311 -7.773) 9.583 11.732 ( 2.321 -0.879 -0.175) 2.488 11.766 ( 1.952 -4.572 2.629) 5.624 12.047 ( 4.990 9.211 0.155) 10.477 12.279 ( -0.300 8.931 -2.209) 9.205 12.432 ( 2.236 3.912 -1.005) 4.616 12.596 ( -3.136 -2.421 -3.523) 5.301 13.027 ( 1.375 -0.641 10.838) 10.944 13.263 ( -6.607 -0.248 4.715) 8.121 14.407 ( 7.513 2.352 13.360) 15.508 14.931 ( -13.271 -2.300 4.008) 14.053 15.678 ( 5.531 -13.059 -1.290) 14.240 15.858 ( -2.087 -9.871 -4.586) 11.082 18.762 ( -0.050 8.002 0.212) 8.005 18.769 ( -0.457 9.187 0.145) 9.200 18.817 ( 1.683 12.092 -1.104) 12.258 18.926 ( -2.772 20.299 -5.417) 21.192 20.521 ( 3.160 -2.795 1.980) 4.660 20.671 ( 2.598 -2.797 0.764) 3.893 21.034 ( -1.240 -2.002 -3.076) 3.874 21.253 ( -2.663 -3.420 -5.941) 7.354 22.157 ( 4.648 0.705 0.438) 4.721 22.286 ( 5.587 -0.184 -3.554) 6.624 22.557 ( -7.108 0.009 -0.622) 7.136 22.692 ( -7.952 -1.042 -4.691) 9.292 23.588 ( 0.324 0.631 10.849) 10.872 23.681 ( -2.588 -0.014 8.239) 8.636 24.099 ( 12.275 -5.109 0.272) 13.299 24.435 ( -2.166 -8.483 -7.232) 11.356 ======================= Grid point 142 (51/90) ======================= q-point: (-0.50 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.951 ( -10.486 12.402 13.742) 21.274 1.951 ( 10.486 12.402 13.742) 21.274 2.116 ( -12.247 3.075 15.124) 19.703 2.116 ( 12.247 3.075 15.124) 19.703 2.589 ( -5.088 11.691 -2.676) 13.028 2.589 ( 5.088 11.691 -2.676) 13.028 2.789 ( -4.918 -0.353 -7.531) 9.002 2.789 ( 4.918 -0.353 -7.531) 9.002 3.127 ( -4.098 10.630 -9.616) 14.908 3.127 ( 4.098 10.630 -9.616) 14.908 3.338 ( -8.395 -0.971 6.852) 10.880 3.338 ( 8.395 -0.971 6.852) 10.880 3.720 ( -3.943 -6.186 1.074) 7.414 3.720 ( 3.943 -6.186 1.074) 7.414 4.237 ( -6.393 -0.777 -0.011) 6.440 4.237 ( 6.393 -0.777 -0.011) 6.440 4.422 ( -5.061 0.317 -3.026) 5.905 4.422 ( 5.061 0.317 -3.026) 5.905 4.602 ( -2.588 1.969 9.253) 9.808 4.602 ( 2.588 1.969 9.253) 9.808 4.768 ( -4.406 -1.581 -1.140) 4.818 4.768 ( 4.406 -1.581 -1.140) 4.818 4.926 ( -0.115 1.803 -6.719) 6.958 4.926 ( 0.115 1.803 -6.719) 6.958 5.232 ( -4.389 2.616 -3.979) 6.476 5.232 ( 4.389 2.616 -3.979) 6.476 5.945 ( -4.499 -3.968 1.908) 6.295 5.945 ( 4.499 -3.968 1.908) 6.295 6.247 ( -2.954 5.977 2.891) 7.267 6.247 ( 2.954 5.977 2.891) 7.267 6.373 ( -0.803 4.865 2.441) 5.502 6.373 ( 0.803 4.865 2.441) 5.502 6.672 ( -7.052 -3.678 -5.506) 9.673 6.672 ( 7.052 -3.678 -5.506) 9.673 7.116 ( -1.550 -0.556 -8.121) 8.286 7.116 ( 1.550 -0.556 -8.121) 8.286 7.298 ( -0.754 3.084 -6.460) 7.198 7.298 ( 0.754 3.084 -6.460) 7.198 8.145 ( -0.583 -9.985 3.416) 10.569 8.145 ( 0.583 -9.985 3.416) 10.569 8.256 ( -3.704 -2.531 4.110) 6.084 8.256 ( 3.704 -2.531 4.110) 6.084 8.492 ( -2.722 2.186 0.804) 3.582 8.492 ( 2.722 2.186 0.804) 3.582 8.822 ( -0.659 -9.684 -1.903) 9.891 8.822 ( 0.659 -9.684 -1.903) 9.891 9.007 ( -2.112 -1.452 -5.214) 5.810 9.007 ( 2.112 -1.452 -5.214) 5.810 9.312 ( -0.758 10.221 0.069) 10.250 9.312 ( 0.758 10.221 0.069) 10.250 10.581 ( -1.159 -0.788 -7.681) 7.808 10.581 ( 1.159 -0.788 -7.681) 7.808 11.037 ( -0.852 -0.157 -1.371) 1.622 11.037 ( 0.852 -0.157 -1.371) 1.622 11.465 ( -3.636 -2.808 -4.778) 6.629 11.465 ( 3.636 -2.808 -4.778) 6.629 11.769 ( -1.117 -3.717 0.714) 3.946 11.769 ( 1.117 -3.717 0.714) 3.946 12.196 ( -6.701 14.459 -0.237) 15.938 12.196 ( 6.701 14.459 -0.237) 15.938 12.512 ( -4.216 -2.495 -3.071) 5.782 12.512 ( 4.216 -2.495 -3.071) 5.782 13.108 ( -6.083 -1.225 8.041) 10.156 13.108 ( 6.083 -1.225 8.041) 10.156 14.633 ( -12.465 0.858 11.039) 16.672 14.633 ( 12.465 0.858 11.039) 16.672 15.788 ( -4.175 -11.053 -4.324) 12.581 15.788 ( 4.175 -11.053 -4.324) 12.581 18.763 ( -0.143 8.288 0.263) 8.293 18.763 ( 0.143 8.288 0.263) 8.293 18.864 ( -2.545 15.743 -2.624) 16.161 18.864 ( 2.545 15.743 -2.624) 16.161 20.624 ( -5.194 -2.344 2.951) 6.418 20.624 ( 5.194 -2.344 2.951) 6.418 21.125 ( -7.341 -3.306 -6.293) 10.219 21.125 ( 7.341 -3.306 -6.293) 10.219 22.309 ( -7.311 0.740 -2.361) 7.719 22.309 ( 7.311 0.740 -2.361) 7.719 22.505 ( -6.987 -0.914 -3.073) 7.687 22.505 ( 6.987 -0.914 -3.073) 7.687 23.626 ( -2.455 0.679 9.347) 9.688 23.626 ( 2.455 0.679 9.347) 9.688 24.329 ( -7.724 -7.106 -3.579) 11.089 24.329 ( 7.724 -7.106 -3.579) 11.089 ======================= Grid point 145 (52/90) ======================= q-point: ( 0.00 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( 0.000 11.213 17.848) 21.078 1.894 ( 0.000 13.360 19.079) 23.292 2.464 ( 0.000 5.924 8.075) 10.015 2.647 ( 0.000 17.367 5.716) 18.283 2.693 ( 0.000 11.010 2.915) 11.390 2.781 ( 0.000 -0.314 3.324) 3.339 2.986 ( 0.000 -6.702 -2.260) 7.073 3.054 ( 0.000 6.993 4.820) 8.493 3.119 ( 0.000 8.416 0.872) 8.461 3.253 ( 0.000 13.491 -0.704) 13.510 3.260 ( 0.000 3.713 -8.810) 9.561 3.509 ( 0.000 10.784 -5.954) 12.319 3.581 ( 0.000 4.792 1.675) 5.076 3.638 ( 0.000 4.543 -4.342) 6.284 3.943 ( 0.000 -4.370 4.463) 6.246 4.190 ( 0.000 -3.985 -5.588) 6.863 4.205 ( 0.000 -7.872 -6.383) 10.135 4.566 ( 0.000 -7.322 1.644) 7.505 4.631 ( 0.000 -5.737 -1.759) 6.000 4.713 ( 0.000 -4.607 -0.524) 4.637 4.803 ( 0.000 1.971 2.438) 3.135 4.872 ( 0.000 0.900 9.066) 9.110 4.991 ( 0.000 3.276 0.787) 3.369 5.121 ( 0.000 7.094 -6.933) 9.920 5.226 ( 0.000 6.936 -11.980) 13.843 5.373 ( 0.000 -0.992 1.722) 1.987 5.735 ( 0.000 -1.058 -3.917) 4.057 6.027 ( 0.000 -5.615 -5.989) 8.209 6.072 ( 0.000 -0.231 1.050) 1.076 6.394 ( 0.000 0.543 -4.713) 4.744 6.428 ( 0.000 2.770 1.493) 3.147 6.450 ( 0.000 3.703 0.759) 3.780 6.644 ( 0.000 10.412 3.502) 10.985 6.826 ( 0.000 5.984 -3.943) 7.166 7.022 ( 0.000 -1.409 -7.469) 7.601 7.097 ( 0.000 -3.729 -3.688) 5.245 7.328 ( 0.000 4.331 -4.093) 5.959 7.366 ( 0.000 2.451 -5.430) 5.958 7.852 ( 0.000 -14.765 4.344) 15.391 7.929 ( 0.000 -12.697 1.435) 12.778 8.242 ( 0.000 0.809 3.254) 3.353 8.314 ( 0.000 -6.403 -2.682) 6.942 8.345 ( 0.000 1.936 1.308) 2.336 8.573 ( 0.000 -8.258 2.370) 8.591 8.609 ( 0.000 -6.391 0.857) 6.448 8.748 ( 0.000 4.974 0.381) 4.989 8.969 ( 0.000 -4.994 -4.496) 6.720 8.980 ( 0.000 1.667 0.296) 1.693 9.484 ( 0.000 10.901 -5.485) 12.203 9.520 ( 0.000 10.565 0.920) 10.605 10.392 ( 0.000 -10.279 -6.524) 12.174 10.513 ( 0.000 -4.749 -7.795) 9.128 11.018 ( 0.000 2.791 -1.720) 3.279 11.047 ( 0.000 4.908 -2.089) 5.334 11.455 ( 0.000 -9.206 0.872) 9.247 11.525 ( 0.000 -4.793 -6.422) 8.014 11.733 ( 0.000 3.261 -1.695) 3.675 11.809 ( 0.000 8.752 2.145) 9.011 12.110 ( 0.000 6.157 -0.616) 6.188 12.263 ( 0.000 -0.209 -3.531) 3.538 12.577 ( 0.000 3.550 0.725) 3.624 12.579 ( 0.000 -3.734 -2.189) 4.329 13.079 ( 0.000 6.595 8.082) 10.432 13.362 ( 0.000 1.218 4.149) 4.324 14.395 ( 0.000 5.095 11.871) 12.918 15.012 ( 0.000 -6.649 -2.545) 7.119 15.301 ( 0.000 -12.337 8.731) 15.114 15.645 ( 0.000 -13.614 -2.511) 13.844 18.976 ( 0.000 13.220 -0.158) 13.220 19.017 ( 0.000 13.250 -0.251) 13.253 19.071 ( 0.000 16.028 -1.322) 16.082 19.426 ( 0.000 20.360 -15.039) 25.312 20.407 ( 0.000 -4.469 0.900) 4.559 20.533 ( 0.000 -4.161 -1.050) 4.291 21.063 ( 0.000 -2.299 -3.426) 4.126 21.156 ( 0.000 -6.203 -3.047) 6.911 22.128 ( 0.000 0.875 0.864) 1.230 22.207 ( 0.000 -0.430 -1.101) 1.182 22.650 ( 0.000 0.375 -1.127) 1.187 22.762 ( 0.000 -1.851 -4.537) 4.900 23.603 ( 0.000 -0.011 11.223) 11.223 23.750 ( 0.000 0.824 6.642) 6.693 23.788 ( 0.000 -5.443 6.580) 8.540 24.244 ( 0.000 -11.181 -4.190) 11.941 ======================= Grid point 146 (53/90) ======================= q-point: ( 0.25 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( 9.299 9.630 15.984) 20.850 1.986 ( 7.416 11.581 15.879) 21.006 2.378 ( -7.232 7.320 7.394) 12.671 2.509 ( -10.064 12.560 9.139) 18.509 2.717 ( -0.239 -0.930 -1.202) 1.539 2.780 ( 1.986 11.001 0.220) 11.181 2.925 ( -6.428 2.939 -4.930) 8.617 2.991 ( -6.246 7.583 -1.280) 9.907 3.108 ( 5.474 0.088 2.327) 5.949 3.292 ( 3.352 6.198 3.705) 7.961 3.428 ( -3.702 10.804 0.616) 11.437 3.445 ( 7.815 8.634 -5.094) 12.711 3.560 ( -2.387 5.913 -2.261) 6.766 3.670 ( 3.501 2.500 -3.828) 5.758 4.039 ( 6.826 -3.991 3.826) 8.783 4.217 ( 0.300 -6.702 -5.619) 8.751 4.280 ( 6.035 -3.119 -5.648) 8.834 4.501 ( -4.716 -5.392 0.993) 7.232 4.608 ( -1.533 -4.827 0.218) 5.069 4.680 ( -2.510 -4.000 -1.037) 4.834 4.753 ( -3.020 1.517 9.221) 9.820 4.842 ( -2.765 1.178 7.737) 8.300 5.001 ( 0.072 4.797 -1.442) 5.009 5.070 ( -3.003 8.538 -7.443) 11.718 5.253 ( 1.819 5.789 -10.467) 12.099 5.341 ( -2.154 1.290 -1.516) 2.932 5.784 ( 3.622 -1.926 -3.726) 5.542 5.943 ( -3.488 -4.327 -3.218) 6.422 6.203 ( 6.103 -2.139 -1.420) 6.621 6.353 ( -2.074 -0.639 -3.677) 4.270 6.446 ( 2.104 4.568 0.275) 5.037 6.524 ( 4.726 5.332 1.568) 7.295 6.613 ( -2.737 8.999 2.430) 9.715 6.767 ( -4.515 4.940 -2.063) 7.004 7.031 ( 0.989 -2.433 -7.035) 7.509 7.096 ( -0.592 -3.700 -4.266) 5.678 7.338 ( 1.146 2.902 -4.513) 5.487 7.380 ( 0.561 3.263 -5.489) 6.410 7.863 ( 0.945 -15.300 3.110) 15.641 7.915 ( -0.983 -13.439 1.212) 13.529 8.190 ( -1.709 -1.508 1.930) 2.987 8.294 ( -3.839 -1.508 0.833) 4.207 8.416 ( 5.966 0.312 1.097) 6.074 8.556 ( -0.245 -4.930 2.620) 5.589 8.644 ( 1.317 -7.402 -1.079) 7.595 8.726 ( -2.204 2.737 1.508) 3.824 8.956 ( -0.291 -2.719 -3.401) 4.364 8.982 ( -0.398 -1.768 -1.379) 2.277 9.496 ( 0.820 10.327 -4.341) 11.232 9.520 ( -0.083 10.683 -0.278) 10.687 10.435 ( 3.335 -9.843 -7.443) 12.783 10.518 ( 0.199 -5.585 -8.023) 9.777 11.030 ( 0.985 2.269 -1.864) 3.097 11.051 ( 0.212 3.699 -1.989) 4.205 11.410 ( -2.793 -5.986 -0.115) 6.607 11.465 ( -4.235 -5.159 -4.504) 8.052 11.759 ( 1.691 3.787 -1.744) 4.499 11.799 ( -0.498 6.260 0.618) 6.310 12.239 ( 9.916 9.024 -0.711) 13.426 12.327 ( 4.913 -1.633 -3.009) 5.988 12.519 ( -3.269 -3.687 -1.121) 5.054 12.601 ( -0.940 7.660 -1.983) 7.968 13.030 ( -2.544 1.842 9.748) 10.241 13.261 ( -8.083 -0.016 5.065) 9.539 14.480 ( 7.049 5.155 11.371) 14.337 14.886 ( -8.958 -1.650 4.585) 10.198 15.393 ( 6.119 -14.393 2.390) 15.822 15.613 ( -2.840 -14.023 -2.368) 14.502 18.976 ( 0.003 13.137 -0.046) 13.137 18.996 ( -1.089 13.253 0.054) 13.298 19.121 ( 3.656 16.502 -2.604) 17.102 19.352 ( -5.631 19.573 -11.225) 23.256 20.452 ( 4.128 -3.431 1.266) 5.515 20.600 ( 3.370 -3.924 -0.259) 5.179 20.974 ( -3.286 -4.045 -2.742) 5.889 21.154 ( -3.002 -6.391 -5.773) 9.120 22.177 ( 4.936 1.295 0.194) 5.107 22.280 ( 5.711 -0.556 -2.877) 6.419 22.560 ( -7.320 0.318 -1.012) 7.396 22.664 ( -7.764 -1.697 -4.227) 9.002 23.607 ( 1.258 1.365 10.372) 10.537 23.687 ( -1.646 0.827 7.779) 7.994 23.972 ( 9.753 -7.078 3.737) 12.617 24.231 ( -1.586 -11.146 -2.638) 11.563 ======================= Grid point 147 (54/90) ======================= q-point: (-0.50 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.180 ( -8.242 8.876 10.485) 16.020 2.180 ( 8.242 8.876 10.485) 16.020 2.232 ( -12.645 9.320 12.216) 19.899 2.232 ( 12.645 9.320 12.216) 19.899 2.759 ( -4.261 -2.713 -6.377) 8.135 2.759 ( 4.261 -2.713 -6.377) 8.135 2.876 ( -3.648 13.642 -1.047) 14.160 2.876 ( 3.648 13.642 -1.047) 14.160 3.252 ( -5.819 -2.943 5.653) 8.630 3.252 ( 5.819 -2.943 5.653) 8.630 3.429 ( -3.257 15.107 -3.531) 15.853 3.429 ( 3.257 15.107 -3.531) 15.853 3.673 ( -4.884 2.859 -2.091) 6.033 3.673 ( 4.884 2.859 -2.091) 6.033 4.168 ( -4.276 -5.567 -0.039) 7.020 4.168 ( 4.276 -5.567 -0.039) 7.020 4.403 ( -4.739 -2.553 -2.940) 6.133 4.403 ( 4.739 -2.553 -2.940) 6.133 4.609 ( -2.580 -3.069 3.151) 5.099 4.609 ( 2.580 -3.069 3.151) 5.099 4.759 ( -3.616 1.669 6.991) 8.046 4.759 ( 3.616 1.669 6.991) 8.046 5.014 ( -1.746 6.714 -4.862) 8.471 5.014 ( 1.746 6.714 -4.862) 8.471 5.296 ( -1.981 4.309 -6.608) 8.134 5.296 ( 1.981 4.309 -6.608) 8.134 5.868 ( -3.620 -3.676 -3.327) 6.139 5.868 ( 3.620 -3.676 -3.327) 6.139 6.299 ( -3.069 -0.283 -1.639) 3.491 6.299 ( 3.069 -0.283 -1.639) 3.491 6.523 ( -4.170 7.125 0.273) 8.260 6.523 ( 4.170 7.125 0.273) 8.260 6.651 ( -5.659 3.476 0.115) 6.642 6.651 ( 5.659 3.476 0.115) 6.642 7.065 ( -1.881 -3.337 -5.255) 6.503 7.065 ( 1.881 -3.337 -5.255) 6.503 7.371 ( -1.342 2.983 -5.062) 6.027 7.371 ( 1.342 2.983 -5.062) 6.027 7.890 ( -1.318 -15.252 1.217) 15.357 7.890 ( 1.318 -15.252 1.217) 15.357 8.206 ( -3.098 -1.599 2.145) 4.094 8.206 ( 3.098 -1.599 2.145) 4.094 8.531 ( -3.361 0.251 1.300) 3.613 8.531 ( 3.361 0.251 1.300) 3.613 8.669 ( -1.928 -4.225 0.721) 4.700 8.669 ( 1.928 -4.225 0.721) 4.700 8.965 ( -0.887 -2.764 -2.617) 3.908 8.965 ( 0.887 -2.764 -2.617) 3.908 9.513 ( -0.610 10.336 -2.235) 10.593 9.513 ( 0.610 10.336 -2.235) 10.593 10.502 ( -2.003 -7.869 -8.291) 11.605 10.502 ( 2.003 -7.869 -8.291) 11.605 11.050 ( -0.489 1.888 -1.952) 2.759 11.050 ( 0.489 1.888 -1.952) 2.759 11.389 ( -1.579 -4.436 -2.120) 5.164 11.389 ( 1.579 -4.436 -2.120) 5.164 11.787 ( -0.789 4.989 -0.965) 5.143 11.787 ( 0.789 4.989 -0.965) 5.143 12.430 ( -4.581 -4.448 -3.171) 7.129 12.430 ( 4.581 -4.448 -3.171) 7.129 12.483 ( -9.152 12.755 -0.494) 15.707 12.483 ( 9.152 12.755 -0.494) 15.707 13.073 ( -6.851 -2.350 8.184) 10.929 13.073 ( 6.851 -2.350 8.184) 10.929 14.673 ( -9.703 3.538 9.590) 14.094 14.673 ( 9.703 3.538 9.590) 14.094 15.523 ( -5.174 -14.793 -1.386) 15.733 15.523 ( 5.174 -14.793 -1.386) 15.733 18.979 ( -0.394 13.081 0.124) 13.088 18.979 ( 0.394 13.081 0.124) 13.088 19.223 ( -5.463 17.991 -5.849) 19.691 19.223 ( 5.463 17.991 -5.849) 19.691 20.569 ( -5.266 -2.618 2.094) 6.242 20.569 ( 5.266 -2.618 2.094) 6.242 21.028 ( -6.679 -6.541 -5.941) 11.076 21.028 ( 6.679 -6.541 -5.941) 11.076 22.331 ( -7.088 1.420 -2.277) 7.579 22.331 ( 7.088 1.420 -2.277) 7.579 22.480 ( -6.801 -1.599 -2.836) 7.540 22.480 ( 6.801 -1.599 -2.836) 7.540 23.650 ( -1.994 1.873 8.785) 9.201 23.650 ( 1.994 1.873 8.785) 9.201 24.152 ( -5.902 -10.015 0.448) 11.633 24.152 ( 5.902 -10.015 0.448) 11.633 ======================= Grid point 150 (55/90) ======================= q-point: ( 0.00 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.100 ( 0.000 13.267 12.550) 18.263 2.160 ( 0.000 13.488 14.837) 20.051 2.563 ( 0.000 -0.329 5.385) 5.395 2.692 ( 0.000 -0.551 3.961) 3.999 2.709 ( 0.000 -9.832 5.672) 11.351 2.933 ( 0.000 0.781 -2.467) 2.588 2.934 ( 0.000 9.278 2.360) 9.573 3.087 ( 0.000 -5.719 2.760) 6.350 3.280 ( 0.000 12.344 0.578) 12.357 3.416 ( 0.000 7.335 -2.280) 7.682 3.451 ( 0.000 8.545 2.878) 9.017 3.667 ( 0.000 2.622 -1.553) 3.047 3.770 ( 0.000 9.840 -2.814) 10.235 3.814 ( 0.000 7.505 -1.220) 7.604 3.921 ( 0.000 6.414 -2.076) 6.741 4.088 ( 0.000 -1.742 -4.823) 5.128 4.109 ( 0.000 -1.742 -2.397) 2.964 4.386 ( 0.000 -10.383 3.770) 11.046 4.481 ( 0.000 -8.988 -0.294) 8.993 4.540 ( 0.000 -11.723 -1.226) 11.787 4.892 ( 0.000 1.752 7.309) 7.516 4.892 ( 0.000 6.497 4.529) 7.920 5.011 ( 0.000 -1.535 1.011) 1.838 5.172 ( 0.000 -3.854 -0.724) 3.921 5.418 ( 0.000 10.872 -11.440) 15.782 5.463 ( 0.000 9.411 -8.143) 12.445 5.747 ( 0.000 1.513 -8.096) 8.236 5.901 ( 0.000 -6.888 -6.467) 9.448 6.123 ( 0.000 6.083 -2.480) 6.569 6.356 ( 0.000 -1.149 -9.541) 9.610 6.452 ( 0.000 -2.335 1.077) 2.571 6.489 ( 0.000 -0.635 -2.372) 2.456 6.791 ( 0.000 5.152 -0.851) 5.221 6.950 ( 0.000 1.616 -7.768) 7.935 7.039 ( 0.000 6.100 2.727) 6.681 7.093 ( 0.000 3.483 3.386) 4.858 7.332 ( 0.000 -6.612 -3.011) 7.265 7.358 ( 0.000 -3.322 -3.692) 4.966 7.619 ( 0.000 -6.543 2.627) 7.051 7.673 ( 0.000 -10.082 -0.785) 10.112 8.223 ( 0.000 -2.279 -1.149) 2.553 8.244 ( 0.000 0.346 -0.134) 0.372 8.420 ( 0.000 -5.877 2.415) 6.354 8.476 ( 0.000 8.501 4.503) 9.620 8.482 ( 0.000 -6.139 0.722) 6.181 8.815 ( 0.000 -4.383 -1.112) 4.522 8.888 ( 0.000 2.352 1.884) 3.013 8.997 ( 0.000 -0.197 1.377) 1.391 9.697 ( 0.000 10.754 -6.289) 12.458 9.744 ( 0.000 12.050 -1.763) 12.178 10.181 ( 0.000 -10.641 -6.212) 12.321 10.336 ( 0.000 -12.420 -6.863) 14.190 11.083 ( 0.000 3.847 -1.455) 4.113 11.160 ( 0.000 6.130 -3.640) 7.129 11.296 ( 0.000 -6.653 1.071) 6.739 11.417 ( 0.000 -5.958 -5.629) 8.196 11.831 ( 0.000 6.177 -3.750) 7.226 11.952 ( 0.000 4.407 -0.664) 4.456 12.220 ( 0.000 4.638 -1.754) 4.959 12.261 ( 0.000 0.453 -3.696) 3.724 12.501 ( 0.000 -3.542 2.342) 4.246 12.556 ( 0.000 -4.125 5.203) 6.640 13.245 ( 0.000 8.367 3.399) 9.031 13.384 ( 0.000 0.602 4.043) 4.087 14.519 ( 0.000 7.505 8.616) 11.426 14.860 ( 0.000 -8.528 0.564) 8.547 15.146 ( 0.000 -2.980 7.547) 8.115 15.379 ( 0.000 -12.523 0.132) 12.524 19.260 ( 0.000 14.803 -1.433) 14.872 19.274 ( 0.000 11.622 -0.364) 11.627 19.348 ( 0.000 10.467 -1.610) 10.590 19.658 ( 0.000 1.713 -11.631) 11.757 20.366 ( 0.000 1.082 -2.733) 2.940 20.455 ( 0.000 -3.242 -2.350) 4.004 21.007 ( 0.000 -3.085 -4.503) 5.458 21.029 ( 0.000 -5.768 -3.058) 6.528 22.149 ( 0.000 1.190 0.550) 1.311 22.194 ( 0.000 -0.890 -0.601) 1.074 22.663 ( 0.000 0.943 -1.685) 1.931 22.723 ( 0.000 -1.982 -3.607) 4.116 23.606 ( 0.000 0.502 10.989) 11.000 23.690 ( 0.000 -4.145 9.417) 10.289 23.789 ( 0.000 3.278 4.936) 5.925 24.038 ( 0.000 -9.329 -0.405) 9.338 ======================= Grid point 151 (56/90) ======================= q-point: ( 0.25 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.159 ( 5.875 10.909 9.774) 15.782 2.229 ( 6.026 12.564 12.815) 18.931 2.525 ( -4.030 5.344 3.995) 7.795 2.611 ( -3.453 -3.546 0.961) 5.042 2.698 ( -7.025 2.669 6.320) 9.819 2.814 ( -3.347 -6.864 2.066) 7.911 2.896 ( -6.799 -0.310 0.703) 6.843 2.988 ( -4.622 -8.188 -1.519) 9.525 3.309 ( 2.976 15.060 2.151) 15.502 3.398 ( -0.179 9.162 7.121) 11.605 3.603 ( 8.835 6.029 -1.311) 10.776 3.663 ( 1.100 5.847 -0.605) 5.980 3.791 ( -2.649 12.245 -3.865) 13.111 3.807 ( 2.223 10.573 -5.833) 12.279 3.974 ( 4.512 -0.419 4.447) 6.349 4.110 ( 0.767 -2.134 -2.651) 3.489 4.206 ( 6.332 -3.676 -5.998) 9.465 4.363 ( -1.585 -7.583 1.380) 7.869 4.463 ( -0.728 -9.271 0.754) 9.330 4.524 ( -1.526 -10.387 -1.359) 10.586 4.845 ( -1.693 6.219 7.339) 9.768 4.896 ( -1.333 4.618 6.164) 7.817 5.037 ( 1.617 -1.755 0.785) 2.512 5.140 ( -2.559 -2.882 -0.241) 3.861 5.425 ( 0.855 11.112 -10.588) 15.373 5.466 ( -0.005 10.419 -9.096) 13.831 5.766 ( 1.274 -0.529 -7.924) 8.043 5.845 ( -3.373 -5.737 -6.083) 9.016 6.199 ( 5.220 2.556 -3.600) 6.837 6.332 ( -1.039 -0.067 -8.067) 8.134 6.472 ( 2.108 -2.104 0.560) 3.030 6.558 ( 3.365 -2.118 -3.708) 5.437 6.774 ( -1.116 6.970 -0.694) 7.093 6.933 ( -4.121 9.668 -0.542) 10.524 6.989 ( -0.190 -1.266 -2.042) 2.410 7.086 ( -1.186 2.852 2.930) 4.257 7.344 ( 1.285 -3.420 -2.308) 4.321 7.381 ( 1.784 -4.056 -4.555) 6.355 7.591 ( -2.042 -9.743 2.095) 10.173 7.642 ( -2.604 -11.828 -1.192) 12.170 8.186 ( -0.484 1.413 0.840) 1.713 8.272 ( -0.705 0.384 -0.643) 1.028 8.403 ( 0.177 -5.137 2.074) 5.542 8.476 ( 0.279 -4.753 0.891) 4.844 8.563 ( 5.362 4.011 2.794) 7.256 8.815 ( -2.283 3.293 1.167) 4.174 8.855 ( -0.384 -4.563 0.401) 4.597 8.965 ( -2.605 -1.311 1.085) 3.112 9.707 ( 0.943 11.278 -5.242) 12.472 9.748 ( -0.015 12.476 -2.982) 12.827 10.214 ( 2.727 -12.077 -6.548) 14.006 10.326 ( -1.069 -13.035 -7.003) 14.836 11.089 ( 0.610 3.689 -1.744) 4.126 11.143 ( -1.370 5.337 -3.195) 6.370 11.285 ( -0.549 -5.923 0.081) 5.949 11.366 ( -3.698 -5.254 -4.274) 7.716 11.874 ( 3.217 7.255 -3.527) 8.685 11.943 ( -0.157 7.103 -1.109) 7.190 12.265 ( 1.479 -4.085 -3.730) 5.727 12.321 ( 2.358 -2.914 -5.739) 6.854 12.497 ( 5.233 4.224 6.653) 9.460 12.670 ( 7.783 -0.832 3.350) 8.515 13.116 ( -10.173 5.921 5.179) 12.859 13.256 ( -10.355 -0.790 4.607) 11.361 14.611 ( 7.190 8.031 8.247) 13.572 14.874 ( -0.560 -0.364 2.959) 3.033 15.147 ( 1.352 -9.208 5.171) 10.647 15.337 ( -3.615 -13.176 0.295) 13.666 19.253 ( -0.448 13.729 -0.918) 13.767 19.260 ( -0.745 13.032 -0.577) 13.066 19.391 ( 3.316 9.119 -2.744) 10.084 19.596 ( -4.767 3.575 -9.307) 11.051 20.425 ( 5.110 1.508 -1.583) 5.558 20.538 ( 5.737 -2.070 -2.640) 6.646 20.887 ( -6.368 -3.842 -2.310) 7.788 21.011 ( -4.395 -7.735 -5.387) 10.400 22.206 ( 5.295 1.605 -0.285) 5.540 22.263 ( 5.747 -1.089 -1.949) 6.166 22.572 ( -7.443 0.900 -1.693) 7.686 22.629 ( -7.563 -1.809 -3.473) 8.517 23.642 ( 3.019 2.176 9.922) 10.597 23.715 ( 0.930 1.468 7.364) 7.566 23.850 ( 4.918 -4.180 5.884) 8.734 24.023 ( -1.576 -9.502 1.040) 9.688 ======================= Grid point 152 (57/90) ======================= q-point: (-0.50 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.350 ( -8.620 8.888 4.922) 13.325 2.350 ( 8.620 8.888 4.922) 13.325 2.428 ( -9.831 10.128 9.268) 16.885 2.428 ( 9.831 10.128 9.268) 16.885 2.669 ( -6.052 -5.988 -2.530) 8.882 2.669 ( 6.052 -5.988 -2.530) 8.882 2.896 ( -3.745 -10.064 2.576) 11.042 2.896 ( 3.745 -10.064 2.576) 11.042 3.375 ( -2.170 14.284 6.291) 15.758 3.375 ( 2.170 14.284 6.291) 15.758 3.699 ( -2.563 7.187 -0.841) 7.676 3.699 ( 2.563 7.187 -0.841) 7.676 3.804 ( -4.181 10.227 -4.522) 11.939 3.804 ( 4.181 10.227 -4.522) 11.939 4.064 ( -3.897 -3.087 0.714) 5.022 4.064 ( 3.897 -3.087 0.714) 5.022 4.328 ( -3.421 -4.596 -3.814) 6.883 4.328 ( 3.421 -4.596 -3.814) 6.883 4.474 ( -2.362 -9.270 0.604) 9.585 4.474 ( 2.362 -9.270 0.604) 9.585 4.849 ( -2.040 6.545 7.224) 9.959 4.849 ( 2.040 6.545 7.224) 9.959 5.079 ( -2.462 -1.592 0.533) 2.980 5.079 ( 2.462 -1.592 0.533) 2.980 5.452 ( -1.223 11.285 -9.624) 14.881 5.452 ( 1.223 11.285 -9.624) 14.881 5.792 ( -1.364 -4.547 -7.286) 8.696 5.792 ( 1.364 -4.547 -7.286) 8.696 6.299 ( -3.020 1.946 -4.533) 5.784 6.299 ( 3.020 1.946 -4.533) 5.784 6.542 ( -3.993 -4.459 -3.864) 7.124 6.542 ( 3.993 -4.459 -3.864) 7.124 6.814 ( -4.879 10.306 1.416) 11.490 6.814 ( 4.879 10.306 1.416) 11.490 7.035 ( -2.936 0.503 -0.086) 2.980 7.035 ( 2.936 0.503 -0.086) 2.980 7.390 ( -1.836 -0.898 -2.765) 3.438 7.390 ( 1.836 -0.898 -2.765) 3.438 7.579 ( -1.931 -14.822 -0.561) 14.958 7.579 ( 1.931 -14.822 -0.561) 14.958 8.217 ( -2.866 2.883 1.232) 4.248 8.217 ( 2.866 2.883 1.232) 4.248 8.446 ( -2.585 -6.797 0.064) 7.272 8.446 ( 2.585 -6.797 0.064) 7.272 8.701 ( -6.388 5.036 2.827) 8.612 8.701 ( 6.388 5.036 2.827) 8.612 8.899 ( -2.958 -3.965 0.223) 4.952 8.899 ( 2.958 -3.965 0.223) 4.952 9.733 ( -1.187 12.322 -4.169) 13.062 9.733 ( 1.187 12.322 -4.169) 13.062 10.282 ( -2.873 -13.559 -7.027) 15.540 10.282 ( 2.873 -13.559 -7.027) 15.540 11.111 ( -1.335 4.028 -2.382) 4.866 11.111 ( 1.335 4.028 -2.382) 4.866 11.297 ( -1.955 -4.891 -2.005) 5.636 11.297 ( 1.955 -4.891 -2.005) 5.636 11.933 ( -1.469 9.054 -2.456) 9.496 11.933 ( 1.469 9.054 -2.456) 9.496 12.298 ( -1.893 -8.071 -4.088) 9.243 12.298 ( 1.893 -8.071 -4.088) 9.243 12.725 ( -9.568 10.761 2.391) 14.597 12.725 ( 9.568 10.761 2.391) 14.597 13.011 ( -8.074 -4.173 7.303) 11.659 13.011 ( 8.074 -4.173 7.303) 11.659 14.782 ( -7.087 7.665 7.031) 12.586 14.782 ( 7.087 7.665 7.031) 12.586 15.232 ( -5.314 -14.251 1.260) 15.262 15.232 ( 5.314 -14.251 1.260) 15.262 19.249 ( -0.190 13.400 -0.641) 13.416 19.249 ( 0.190 13.400 -0.641) 13.416 19.483 ( -4.875 6.657 -5.526) 9.930 19.483 ( 4.875 6.657 -5.526) 9.930 20.559 ( -5.227 2.704 -0.284) 5.892 20.559 ( 5.227 2.704 -0.284) 5.892 20.871 ( -5.961 -9.174 -5.220) 12.122 20.871 ( 5.961 -9.174 -5.220) 12.122 22.364 ( -6.831 1.900 -2.234) 7.434 22.364 ( 6.831 1.900 -2.234) 7.434 22.444 ( -6.654 -1.980 -2.541) 7.393 22.444 ( 6.654 -1.980 -2.541) 7.393 23.705 ( -1.932 3.835 7.834) 8.934 23.705 ( 1.932 3.835 7.834) 8.934 23.960 ( -4.196 -9.028 4.006) 10.731 23.960 ( 4.196 -9.028 4.006) 10.731 ======================= Grid point 155 (58/90) ======================= q-point: ( 0.00 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.332 ( 0.000 -5.931 9.805) 11.460 2.332 ( 0.000 5.931 9.805) 11.460 2.490 ( 0.000 -7.277 7.350) 10.343 2.490 ( 0.000 7.277 7.350) 10.343 2.825 ( 0.000 -9.153 1.718) 9.313 2.825 ( 0.000 9.153 1.718) 9.313 3.034 ( 0.000 -1.937 1.994) 2.780 3.034 ( 0.000 1.937 1.994) 2.780 3.464 ( 0.000 -4.591 -3.210) 5.602 3.464 ( 0.000 4.591 -3.210) 5.602 3.602 ( 0.000 -5.371 5.131) 7.428 3.602 ( 0.000 5.371 5.131) 7.428 3.851 ( 0.000 -2.065 -4.595) 5.038 3.851 ( 0.000 2.065 -4.595) 5.038 4.099 ( 0.000 -9.073 -2.666) 9.457 4.099 ( 0.000 9.073 -2.666) 9.457 4.229 ( 0.000 -6.226 -0.004) 6.226 4.229 ( 0.000 6.226 -0.004) 6.226 4.327 ( 0.000 -0.859 1.159) 1.442 4.327 ( 0.000 0.859 1.159) 1.442 4.946 ( 0.000 -3.254 2.445) 4.070 4.946 ( 0.000 3.254 2.445) 4.070 5.047 ( 0.000 -7.441 4.465) 8.678 5.047 ( 0.000 7.441 4.465) 8.678 5.568 ( 0.000 -1.752 -11.369) 11.503 5.568 ( 0.000 1.752 -11.369) 11.503 5.785 ( 0.000 -3.512 -7.556) 8.332 5.785 ( 0.000 3.512 -7.556) 8.332 6.290 ( 0.000 -8.602 -7.796) 11.609 6.290 ( 0.000 8.602 -7.796) 11.609 6.430 ( 0.000 -3.484 -1.426) 3.764 6.430 ( 0.000 3.484 -1.426) 3.764 6.898 ( 0.000 -5.316 -3.703) 6.478 6.898 ( 0.000 5.316 -3.703) 6.478 7.166 ( 0.000 -0.353 4.984) 4.997 7.166 ( 0.000 0.353 4.984) 4.997 7.228 ( 0.000 -3.866 -3.546) 5.246 7.228 ( 0.000 3.866 -3.546) 5.246 7.577 ( 0.000 -0.991 -0.050) 0.993 7.577 ( 0.000 0.991 -0.050) 0.993 8.229 ( 0.000 -2.097 -0.255) 2.113 8.229 ( 0.000 2.097 -0.255) 2.113 8.383 ( 0.000 -2.924 1.689) 3.377 8.383 ( 0.000 2.924 1.689) 3.377 8.659 ( 0.000 -9.205 2.294) 9.487 8.659 ( 0.000 9.205 2.294) 9.487 8.965 ( 0.000 -3.093 2.046) 3.709 8.965 ( 0.000 3.093 2.046) 3.709 9.888 ( 0.000 -5.544 -5.330) 7.690 9.888 ( 0.000 5.544 -5.330) 7.690 10.085 ( 0.000 -8.888 -5.431) 10.416 10.085 ( 0.000 8.888 -5.431) 10.416 11.171 ( 0.000 -4.944 -0.875) 5.020 11.171 ( 0.000 4.944 -0.875) 5.020 11.296 ( 0.000 -6.176 -4.248) 7.496 11.296 ( 0.000 6.176 -4.248) 7.496 11.946 ( 0.000 -4.409 -4.148) 6.053 11.946 ( 0.000 4.409 -4.148) 6.053 12.276 ( 0.000 -0.468 -3.896) 3.924 12.276 ( 0.000 0.468 -3.896) 3.924 12.478 ( 0.000 -2.101 7.454) 7.744 12.478 ( 0.000 2.101 7.454) 7.744 13.363 ( 0.000 -3.278 3.134) 4.535 13.363 ( 0.000 3.278 3.134) 4.535 14.685 ( 0.000 -8.957 4.499) 10.023 14.685 ( 0.000 8.957 4.499) 10.023 15.184 ( 0.000 -6.481 3.755) 7.490 15.184 ( 0.000 6.481 3.755) 7.490 19.425 ( 0.000 -2.285 -0.952) 2.475 19.425 ( 0.000 2.285 -0.952) 2.475 19.537 ( 0.000 -11.462 -4.644) 12.367 19.537 ( 0.000 11.462 -4.644) 12.367 20.409 ( 0.000 -2.009 -4.486) 4.915 20.409 ( 0.000 2.009 -4.486) 4.915 20.967 ( 0.000 -0.037 -4.191) 4.191 20.967 ( 0.000 0.037 -4.191) 4.191 22.173 ( 0.000 -1.206 0.004) 1.206 22.173 ( 0.000 1.206 0.004) 1.206 22.688 ( 0.000 -1.575 -2.553) 3.000 22.688 ( 0.000 1.575 -2.553) 3.000 23.630 ( 0.000 -2.015 10.624) 10.813 23.630 ( 0.000 2.015 10.624) 10.813 23.883 ( 0.000 -6.319 2.553) 6.815 23.883 ( 0.000 6.319 2.553) 6.815 ======================= Grid point 157 (59/90) ======================= q-point: ( 0.25 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.360 ( 3.462 -7.265 5.669) 9.844 2.360 ( 3.462 7.265 5.669) 9.844 2.529 ( 3.431 -9.813 6.947) 12.503 2.529 ( 3.431 9.813 6.947) 12.503 2.757 ( -6.031 -8.713 2.156) 10.814 2.757 ( -6.031 8.713 2.156) 10.814 2.864 ( -12.261 -2.495 2.283) 12.719 2.864 ( -12.261 2.495 2.283) 12.719 3.534 ( 5.553 -4.021 -0.607) 6.883 3.534 ( 5.553 4.021 -0.607) 6.883 3.632 ( 1.777 -3.501 4.888) 6.269 3.632 ( 1.777 3.501 4.888) 6.269 3.939 ( 5.221 -4.830 -2.582) 7.567 3.939 ( 5.221 4.830 -2.582) 7.567 4.056 ( -2.561 -9.869 -3.487) 10.776 4.056 ( -2.561 9.869 -3.487) 10.776 4.258 ( 1.893 -9.865 0.879) 10.083 4.258 ( 1.893 9.865 0.879) 10.083 4.329 ( -0.077 -6.573 -1.374) 6.715 4.329 ( -0.077 6.573 -1.374) 6.715 4.957 ( 0.906 -4.822 2.629) 5.567 4.957 ( 0.906 4.822 2.629) 5.567 5.028 ( -1.595 -6.942 4.609) 8.484 5.028 ( -1.595 6.942 4.609) 8.484 5.592 ( 2.184 -2.212 -10.683) 11.126 5.592 ( 2.184 2.212 -10.683) 11.126 5.752 ( -3.104 -1.006 -7.941) 8.586 5.752 ( -3.104 1.006 -7.941) 8.586 6.298 ( 2.486 -5.849 -6.795) 9.304 6.298 ( 2.486 5.849 -6.795) 9.304 6.467 ( 0.568 -4.773 -2.718) 5.522 6.467 ( 0.568 4.773 -2.718) 5.522 6.911 ( 1.904 -6.128 -2.675) 6.952 6.911 ( 1.904 6.128 -2.675) 6.952 7.115 ( -4.348 -4.081 3.933) 7.143 7.115 ( -4.348 4.081 3.933) 7.143 7.269 ( 3.812 -1.463 -2.538) 4.807 7.269 ( 3.812 1.463 -2.538) 4.807 7.518 ( -4.917 -1.203 -0.367) 5.075 7.518 ( -4.917 1.203 -0.367) 5.075 8.248 ( 1.960 -4.140 0.302) 4.590 8.248 ( 1.960 4.140 0.302) 4.590 8.372 ( -1.537 -3.899 0.998) 4.308 8.372 ( -1.537 3.899 0.998) 4.308 8.701 ( 3.746 -7.756 2.295) 8.914 8.701 ( 3.746 7.756 2.295) 8.914 8.917 ( -4.025 -3.636 2.077) 5.808 8.917 ( -4.025 3.636 2.077) 5.808 9.923 ( 2.898 -6.744 -5.468) 9.153 9.923 ( 2.898 6.744 -5.468) 9.153 10.063 ( -2.005 -8.916 -5.603) 10.719 10.063 ( -2.005 8.916 -5.603) 10.719 11.173 ( 0.434 -4.645 -1.328) 4.850 11.173 ( 0.434 4.645 -1.328) 4.850 11.259 ( -2.794 -5.414 -3.532) 7.042 11.259 ( -2.794 5.414 -3.532) 7.042 12.000 ( 4.520 -3.382 -3.933) 6.880 12.000 ( 4.520 3.382 -3.933) 6.880 12.232 ( -3.793 -2.955 -3.563) 5.984 12.232 ( -3.793 2.955 -3.563) 5.984 12.604 ( 10.641 -5.070 6.503) 13.462 12.604 ( 10.641 5.070 6.503) 13.462 13.216 ( -12.000 -3.580 3.860) 13.104 13.216 ( -12.000 3.580 3.860) 13.104 14.784 ( 7.806 -8.597 4.280) 12.376 14.784 ( 7.806 8.597 4.280) 12.376 15.127 ( -5.005 -6.924 3.851) 9.371 15.127 ( -5.005 6.924 3.851) 9.371 19.435 ( 0.939 -4.173 -1.404) 4.502 19.435 ( 0.939 4.173 -1.404) 4.502 19.512 ( -1.959 -10.030 -3.958) 10.959 19.512 ( -1.959 10.030 -3.958) 10.959 20.491 ( 6.916 -3.600 -4.141) 8.828 20.491 ( 6.916 3.600 -4.141) 8.828 20.881 ( -7.230 -4.068 -3.697) 9.082 20.881 ( -7.230 4.068 -3.697) 9.082 22.237 ( 5.597 -1.517 -1.022) 5.889 22.237 ( 5.597 1.517 -1.022) 5.889 22.596 ( -7.471 -1.479 -2.567) 8.037 22.596 ( -7.471 1.479 -2.567) 8.037 23.694 ( 4.988 -2.932 9.176) 10.848 23.694 ( 4.988 2.932 9.176) 10.848 23.870 ( -1.481 -5.579 3.725) 6.870 23.870 ( -1.481 5.579 3.725) 6.870 ======================= Grid point 159 (60/90) ======================= q-point: (-0.50 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.515 ( -9.580 -7.150 -0.238) 11.956 2.515 ( 7.574 -6.521 -0.238) 9.997 2.515 ( -7.574 6.521 -0.238) 9.997 2.515 ( 9.580 7.150 -0.238) 11.956 2.664 ( -5.148 -11.457 7.315) 14.536 2.664 ( 4.874 -11.427 7.315) 14.417 2.664 ( -4.874 11.427 7.315) 14.417 2.664 ( 5.148 11.457 7.315) 14.536 3.635 ( -0.816 -10.309 3.415) 10.890 3.635 ( 0.321 -10.302 3.415) 10.858 3.635 ( -0.321 10.302 3.415) 10.858 3.635 ( 0.816 10.309 3.415) 10.890 4.013 ( -1.692 -7.157 -2.759) 7.855 4.013 ( 1.645 -7.154 -2.759) 7.842 4.013 ( -1.645 7.154 -2.759) 7.842 4.013 ( 1.692 7.157 -2.759) 7.855 4.306 ( -2.066 -5.321 -1.373) 5.871 4.306 ( 2.050 -5.320 -1.373) 5.864 4.306 ( -2.050 5.320 -1.373) 5.864 4.306 ( 2.066 5.321 -1.373) 5.871 4.987 ( -1.696 -6.676 3.855) 7.894 4.987 ( 1.622 -6.672 3.855) 7.874 4.987 ( -1.622 6.672 3.855) 7.874 4.987 ( 1.696 6.676 3.855) 7.894 5.664 ( -1.750 -8.645 -9.221) 12.760 5.664 ( -0.046 -8.600 -9.221) 12.610 5.664 ( 0.046 8.600 -9.221) 12.610 5.664 ( 1.750 8.645 -9.221) 12.760 6.402 ( -4.159 -7.581 -5.106) 10.042 6.402 ( 1.513 -7.329 -5.106) 9.060 6.402 ( -1.513 7.329 -5.106) 9.060 6.402 ( 4.159 7.581 -5.106) 10.042 6.999 ( -5.437 -6.587 0.939) 8.592 6.999 ( 5.405 -6.580 0.939) 8.567 6.999 ( -5.405 6.580 0.939) 8.567 6.999 ( 5.437 6.587 0.939) 8.592 7.387 ( -5.335 -2.690 -1.160) 6.086 7.387 ( -3.270 -1.672 -1.160) 3.852 7.387 ( 3.270 1.672 -1.160) 3.852 7.387 ( 5.335 2.690 -1.160) 6.086 8.312 ( -2.993 -6.245 0.631) 6.954 8.312 ( 2.335 -6.175 0.631) 6.632 8.312 ( -2.335 6.175 0.631) 6.632 8.312 ( 2.993 6.245 0.631) 6.954 8.808 ( -5.362 -5.242 2.141) 7.799 8.808 ( 5.326 -5.233 2.141) 7.767 8.808 ( -5.326 5.233 2.141) 7.767 8.808 ( 5.362 5.242 2.141) 7.799 10.000 ( -2.318 -14.346 -5.687) 15.605 10.000 ( 1.740 -14.325 -5.687) 15.511 10.000 ( -1.740 14.325 -5.687) 15.511 10.000 ( 2.318 14.346 -5.687) 15.605 11.200 ( -1.996 -4.830 -2.331) 5.722 11.200 ( 1.889 -4.819 -2.331) 5.677 11.200 ( -1.889 4.819 -2.331) 5.677 11.200 ( 1.996 4.830 -2.331) 5.722 12.121 ( -2.858 -9.233 -3.588) 10.309 12.121 ( -0.323 -9.123 -3.588) 9.808 12.121 ( 0.323 9.123 -3.588) 9.808 12.121 ( 2.858 9.233 -3.588) 10.309 12.901 ( -13.550 -6.382 5.181) 15.848 12.901 ( -7.255 -2.825 5.181) 9.352 12.901 ( 7.255 2.826 5.181) 9.352 12.901 ( 13.550 6.382 5.181) 15.848 14.974 ( -6.815 -11.376 4.036) 13.861 14.974 ( 3.262 -10.975 4.036) 12.140 14.974 ( -3.262 10.975 4.036) 12.140 14.974 ( 6.815 11.376 4.036) 13.861 19.467 ( -1.845 -7.355 -2.574) 8.008 19.467 ( 1.819 -7.354 -2.574) 8.001 19.467 ( -1.819 7.354 -2.574) 8.001 19.467 ( 1.845 7.355 -2.574) 8.008 20.684 ( -7.731 -8.538 -3.533) 12.047 20.684 ( 0.300 -7.614 -3.533) 8.399 20.684 ( -0.300 7.614 -3.533) 8.399 20.684 ( 7.731 8.538 -3.533) 12.047 22.404 ( -8.638 -1.833 -2.315) 9.129 22.404 ( -7.991 0.817 -2.315) 8.359 22.404 ( 7.991 -0.817 -2.315) 8.359 22.404 ( 8.638 1.833 -2.315) 9.129 23.806 ( -3.411 -6.301 6.359) 9.579 23.806 ( 1.618 -6.119 6.359) 8.972 23.806 ( -1.618 6.119 6.359) 8.972 23.806 ( 3.411 6.301 6.359) 9.579 ======================= Grid point 180 (61/90) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.945 ( 0.000 0.000 20.365) 20.365 2.075 ( 0.000 0.000 21.726) 21.726 2.212 ( 0.000 0.000 6.148) 6.148 2.273 ( 0.000 0.000 -0.736) 0.736 2.540 ( 0.000 0.000 2.389) 2.389 2.553 ( 0.000 0.000 -9.846) 9.846 2.683 ( 0.000 0.000 -3.841) 3.841 2.866 ( 0.000 0.000 6.920) 6.920 2.888 ( 0.000 0.000 -13.622) 13.622 3.101 ( 0.000 0.000 -2.053) 2.053 3.111 ( 0.000 0.000 -5.684) 5.684 3.160 ( 0.000 0.000 -2.532) 2.532 3.701 ( 0.000 0.000 4.886) 4.886 3.713 ( 0.000 0.000 1.287) 1.287 4.082 ( 0.000 0.000 4.101) 4.101 4.144 ( 0.000 0.000 -2.204) 2.204 4.385 ( 0.000 0.000 -3.307) 3.307 4.542 ( 0.000 0.000 -3.476) 3.476 4.595 ( 0.000 0.000 -6.363) 6.363 4.656 ( 0.000 0.000 -4.468) 4.468 4.693 ( 0.000 0.000 -4.413) 4.413 4.747 ( 0.000 0.000 -2.975) 2.975 5.056 ( 0.000 0.000 4.809) 4.809 5.093 ( 0.000 0.000 9.482) 9.482 5.165 ( 0.000 0.000 -0.081) 0.081 5.616 ( 0.000 0.000 6.198) 6.198 6.010 ( 0.000 0.000 -5.808) 5.808 6.017 ( 0.000 0.000 8.786) 8.786 6.235 ( 0.000 0.000 -1.877) 1.877 6.238 ( 0.000 0.000 6.966) 6.966 6.258 ( 0.000 0.000 1.518) 1.518 6.363 ( 0.000 0.000 2.843) 2.843 6.453 ( 0.000 0.000 2.456) 2.456 6.617 ( 0.000 0.000 -12.055) 12.055 6.961 ( 0.000 0.000 -5.043) 5.043 6.971 ( 0.000 0.000 -6.226) 6.226 7.042 ( 0.000 0.000 -4.612) 4.612 7.168 ( 0.000 0.000 -10.688) 10.688 8.232 ( 0.000 0.000 12.001) 12.001 8.339 ( 0.000 0.000 4.255) 4.255 8.339 ( 0.000 0.000 -1.163) 1.163 8.408 ( 0.000 0.000 -3.539) 3.539 8.444 ( 0.000 0.000 0.650) 0.650 8.613 ( 0.000 0.000 -2.803) 2.803 8.805 ( 0.000 0.000 -5.282) 5.282 8.859 ( 0.000 0.000 -0.658) 0.658 8.865 ( 0.000 0.000 -3.633) 3.633 8.905 ( 0.000 0.000 -1.769) 1.769 9.178 ( 0.000 0.000 5.906) 5.906 9.291 ( 0.000 0.000 1.188) 1.188 10.440 ( 0.000 0.000 -2.491) 2.491 10.514 ( 0.000 0.000 -6.420) 6.420 10.920 ( 0.000 0.000 -0.534) 0.534 10.928 ( 0.000 0.000 -0.936) 0.936 11.509 ( 0.000 0.000 -3.521) 3.521 11.549 ( 0.000 0.000 -4.151) 4.151 11.693 ( 0.000 0.000 6.412) 6.412 11.913 ( 0.000 0.000 -5.010) 5.010 11.928 ( 0.000 0.000 7.526) 7.526 12.178 ( 0.000 0.000 -5.233) 5.233 12.352 ( 0.000 0.000 5.336) 5.336 12.562 ( 0.000 0.000 -5.197) 5.197 13.211 ( 0.000 0.000 8.262) 8.262 13.370 ( 0.000 0.000 -0.258) 0.258 14.575 ( 0.000 0.000 14.434) 14.434 15.025 ( 0.000 0.000 -8.326) 8.326 15.768 ( 0.000 0.000 0.536) 0.536 15.876 ( 0.000 0.000 -5.052) 5.052 18.663 ( 0.000 0.000 0.501) 0.501 18.683 ( 0.000 0.000 -0.473) 0.473 18.690 ( 0.000 0.000 0.359) 0.359 18.704 ( 0.000 0.000 -0.338) 0.338 20.557 ( 0.000 0.000 1.529) 1.529 20.615 ( 0.000 0.000 -1.145) 1.145 21.095 ( 0.000 0.000 1.067) 1.067 21.214 ( 0.000 0.000 -4.099) 4.099 22.131 ( 0.000 0.000 1.189) 1.189 22.184 ( 0.000 0.000 -1.510) 1.510 22.641 ( 0.000 0.000 0.359) 0.359 22.716 ( 0.000 0.000 -3.764) 3.764 23.827 ( 0.000 0.000 10.072) 10.072 23.880 ( 0.000 0.000 7.091) 7.091 23.941 ( 0.000 0.000 -0.030) 0.030 24.318 ( 0.000 0.000 -12.146) 12.146 ======================= Grid point 181 (62/90) ======================= q-point: ( 0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( 3.042 0.000 17.485) 17.747 2.168 ( -3.674 0.000 7.702) 8.533 2.175 ( 7.870 0.000 18.141) 19.774 2.313 ( 3.341 0.000 -0.819) 3.440 2.499 ( -3.928 0.000 5.416) 6.690 2.499 ( -3.885 0.000 -5.433) 6.679 2.716 ( -7.755 0.000 -1.468) 7.893 2.726 ( 3.016 0.000 -7.620) 8.195 2.791 ( -11.350 0.000 -7.991) 13.881 2.863 ( -2.197 0.000 -12.806) 12.993 3.302 ( 8.486 0.000 6.066) 10.432 3.427 ( 10.036 0.000 -2.341) 10.306 3.726 ( 2.647 0.000 3.028) 4.022 3.779 ( 4.778 0.000 1.731) 5.082 4.102 ( 2.610 0.000 1.087) 2.827 4.216 ( 4.191 0.000 -3.642) 5.553 4.342 ( -2.192 0.000 1.113) 2.459 4.551 ( 1.107 0.000 -4.416) 4.552 4.564 ( -4.954 0.000 2.497) 5.548 4.647 ( -0.910 0.000 -4.034) 4.135 4.675 ( 1.592 0.000 -11.018) 11.133 4.760 ( -0.203 0.000 -6.022) 6.025 4.991 ( -4.436 0.000 8.188) 9.313 5.085 ( -1.694 0.000 1.286) 2.127 5.129 ( -1.537 0.000 9.723) 9.844 5.446 ( -12.509 0.000 10.779) 16.513 5.977 ( 1.894 0.000 -9.684) 9.868 6.056 ( 3.436 0.000 8.882) 9.523 6.184 ( -4.255 0.000 -6.263) 7.572 6.262 ( -1.600 0.000 6.665) 6.854 6.327 ( -0.943 0.000 -0.935) 1.328 6.429 ( -2.143 0.000 1.593) 2.671 6.444 ( 11.300 0.000 3.649) 11.875 6.646 ( 1.459 0.000 -8.138) 8.268 6.963 ( 0.133 0.000 -5.311) 5.313 6.970 ( -0.096 0.000 -6.060) 6.060 7.071 ( 2.313 0.000 -5.136) 5.633 7.162 ( -0.790 0.000 -9.465) 9.498 8.294 ( -1.239 0.000 1.848) 2.226 8.295 ( 5.315 0.000 10.932) 12.155 8.349 ( -0.133 0.000 3.502) 3.505 8.394 ( 0.154 0.000 -0.765) 0.780 8.477 ( 0.028 0.000 -3.069) 3.069 8.572 ( -4.138 0.000 2.414) 4.791 8.793 ( 0.323 0.000 -7.299) 7.307 8.865 ( -0.738 0.000 -5.923) 5.969 8.888 ( 2.238 0.000 -1.972) 2.983 8.923 ( 1.126 0.000 -2.695) 2.920 9.198 ( 1.616 0.000 5.292) 5.533 9.277 ( -1.223 0.000 1.815) 2.189 10.448 ( 0.767 0.000 -2.975) 3.072 10.500 ( -1.105 0.000 -5.732) 5.838 10.965 ( 3.431 0.000 -0.337) 3.448 10.975 ( 3.722 0.000 -1.004) 3.855 11.456 ( -4.528 0.000 -1.803) 4.874 11.474 ( -3.969 0.000 -3.339) 5.187 11.773 ( 4.859 0.000 1.945) 5.234 11.906 ( -0.810 0.000 -4.114) 4.193 11.956 ( 2.445 0.000 6.423) 6.873 12.121 ( -4.027 0.000 -0.826) 4.111 12.405 ( 3.639 0.000 1.181) 3.826 12.541 ( -1.806 0.000 -4.513) 4.861 13.210 ( 0.259 0.000 7.296) 7.301 13.322 ( -3.722 0.000 1.250) 3.926 14.641 ( 5.627 0.000 12.572) 13.774 14.961 ( -5.578 0.000 -2.854) 6.266 15.766 ( 0.388 0.000 -1.565) 1.612 15.854 ( -1.980 0.000 -5.367) 5.721 18.665 ( 0.167 0.000 0.415) 0.447 18.678 ( -0.331 0.000 -0.096) 0.344 18.695 ( 0.265 0.000 0.023) 0.266 18.703 ( -0.096 0.000 -0.294) 0.309 20.597 ( 4.093 0.000 2.872) 5.001 20.698 ( 5.300 0.000 -1.334) 5.466 21.029 ( -4.051 0.000 0.824) 4.134 21.175 ( -4.147 0.000 -5.573) 6.946 22.164 ( 3.444 0.000 1.046) 3.599 22.229 ( 3.612 0.000 -2.498) 4.391 22.556 ( -6.658 0.000 0.370) 6.669 22.623 ( -7.340 0.000 -3.380) 8.081 23.783 ( -1.289 0.000 9.235) 9.325 23.823 ( -1.568 0.000 6.182) 6.377 24.129 ( 9.701 0.000 -0.697) 9.726 24.336 ( 0.577 0.000 -9.805) 9.822 ======================= Grid point 182 (63/90) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.069 ( -4.719 0.000 11.879) 12.782 2.069 ( 4.719 0.000 11.879) 12.782 2.362 ( -8.020 0.000 11.420) 13.955 2.362 ( 8.020 0.000 11.420) 13.955 2.404 ( -4.511 0.000 -1.819) 4.864 2.404 ( 4.511 0.000 -1.819) 4.864 2.642 ( -1.782 0.000 -7.359) 7.571 2.642 ( 1.782 0.000 -7.359) 7.571 2.799 ( -3.329 0.000 -10.782) 11.284 2.799 ( 3.329 0.000 -10.782) 11.284 3.463 ( -4.906 0.000 3.746) 6.173 3.463 ( 4.906 0.000 3.746) 6.173 3.820 ( -2.647 0.000 1.223) 2.916 3.820 ( 2.647 0.000 1.223) 2.916 4.190 ( -4.544 0.000 -3.526) 5.752 4.190 ( 4.544 0.000 -3.526) 5.752 4.418 ( -7.040 0.000 4.876) 8.564 4.418 ( 7.040 0.000 4.876) 8.564 4.601 ( -3.138 0.000 -6.183) 6.933 4.601 ( 3.138 0.000 -6.183) 6.933 4.729 ( -2.343 0.000 -9.751) 10.028 4.729 ( 2.343 0.000 -9.751) 10.028 4.973 ( -4.268 0.000 12.171) 12.898 4.973 ( 4.268 0.000 12.171) 12.898 5.209 ( -7.509 0.000 7.184) 10.392 5.209 ( 7.509 0.000 7.184) 10.392 6.070 ( -5.419 0.000 -9.944) 11.325 6.070 ( 5.419 0.000 -9.944) 11.325 6.160 ( -5.549 0.000 8.768) 10.376 6.160 ( 5.549 0.000 8.768) 10.376 6.368 ( -3.008 0.000 -0.389) 3.033 6.368 ( 3.008 0.000 -0.389) 3.033 6.624 ( -4.327 0.000 -1.804) 4.688 6.624 ( 4.327 0.000 -1.804) 4.688 6.967 ( -0.164 0.000 -5.721) 5.723 6.967 ( 0.164 0.000 -5.721) 5.723 7.127 ( -2.341 0.000 -6.940) 7.324 7.127 ( 2.341 0.000 -6.940) 7.324 8.312 ( -2.237 0.000 3.457) 4.117 8.312 ( 2.237 0.000 3.457) 4.117 8.437 ( -2.793 0.000 -2.166) 3.534 8.437 ( 2.793 0.000 -2.166) 3.534 8.440 ( -7.020 0.000 8.023) 10.660 8.440 ( 7.020 0.000 8.023) 10.660 8.828 ( -2.219 0.000 -7.968) 8.271 8.828 ( 2.219 0.000 -7.968) 8.271 8.929 ( -0.914 0.000 -3.318) 3.441 8.929 ( 0.914 0.000 -3.318) 3.441 9.240 ( -1.977 0.000 3.493) 4.014 9.240 ( 1.977 0.000 3.493) 4.014 10.472 ( -1.304 0.000 -4.253) 4.449 10.472 ( 1.304 0.000 -4.253) 4.449 11.027 ( -0.639 0.000 -0.361) 0.734 11.027 ( 0.639 0.000 -0.361) 0.734 11.402 ( -1.090 0.000 -2.866) 3.067 11.402 ( 1.090 0.000 -2.866) 3.067 11.865 ( -3.067 0.000 -1.600) 3.459 11.865 ( 3.067 0.000 -1.600) 3.459 12.029 ( -3.951 0.000 3.517) 5.290 12.029 ( 3.951 0.000 3.517) 5.290 12.485 ( -3.240 0.000 -2.467) 4.072 12.485 ( 3.240 0.000 -2.467) 4.072 13.242 ( -2.821 0.000 4.527) 5.334 13.242 ( 2.821 0.000 4.527) 5.334 14.801 ( -8.067 0.000 6.677) 10.471 14.801 ( 8.067 0.000 6.677) 10.471 15.800 ( -2.417 0.000 -4.706) 5.291 15.800 ( 2.417 0.000 -4.706) 5.291 18.671 ( -0.297 0.000 0.195) 0.356 18.671 ( 0.297 0.000 0.195) 0.356 18.700 ( -0.204 0.000 -0.172) 0.267 18.700 ( 0.204 0.000 -0.172) 0.267 20.713 ( -4.683 0.000 3.335) 5.750 20.713 ( 4.683 0.000 3.335) 5.750 21.045 ( -5.946 0.000 -5.125) 7.850 21.045 ( 5.946 0.000 -5.125) 7.850 22.267 ( -3.416 0.000 -1.231) 3.631 22.267 ( 3.416 0.000 -1.231) 3.631 22.472 ( -3.271 0.000 -1.447) 3.577 22.472 ( 3.271 0.000 -1.447) 3.577 23.791 ( -1.286 0.000 7.770) 7.875 23.791 ( 1.286 0.000 7.770) 7.875 24.296 ( -4.743 0.000 -5.328) 7.133 24.296 ( 4.743 0.000 -5.328) 7.133 ======================= Grid point 185 (64/90) ======================= q-point: ( 0.00 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.040 ( 0.000 8.624 19.014) 20.878 2.091 ( 0.000 2.548 19.506) 19.671 2.368 ( 0.000 13.351 5.390) 14.398 2.438 ( 0.000 13.905 -0.150) 13.906 2.566 ( 0.000 3.609 2.979) 4.679 2.682 ( 0.000 11.914 -9.774) 15.410 2.783 ( 0.000 6.436 -0.874) 6.495 2.925 ( 0.000 7.646 3.354) 8.350 2.978 ( 0.000 6.754 -12.323) 14.052 3.089 ( 0.000 0.126 -0.941) 0.949 3.137 ( 0.000 -1.234 0.052) 1.235 3.145 ( 0.000 4.903 -7.017) 8.560 3.662 ( 0.000 -3.287 4.342) 5.446 3.676 ( 0.000 -3.506 1.117) 3.679 4.070 ( 0.000 -1.278 3.546) 3.769 4.141 ( 0.000 -0.964 -3.496) 3.626 4.287 ( 0.000 -7.538 -1.858) 7.764 4.545 ( 0.000 -3.750 -10.159) 10.829 4.602 ( 0.000 3.850 -2.055) 4.364 4.672 ( 0.000 4.961 0.719) 5.013 4.787 ( 0.000 4.062 -3.418) 5.309 4.808 ( 0.000 6.164 -5.697) 8.393 5.042 ( 0.000 -1.943 3.497) 4.000 5.073 ( 0.000 -0.888 11.392) 11.426 5.135 ( 0.000 -2.900 0.502) 2.943 5.551 ( 0.000 -5.820 6.853) 8.991 5.865 ( 0.000 -10.056 4.407) 10.979 5.955 ( 0.000 -4.004 -9.443) 10.257 6.187 ( 0.000 -4.273 5.305) 6.812 6.312 ( 0.000 3.829 1.474) 4.103 6.384 ( 0.000 8.753 1.146) 8.828 6.405 ( 0.000 1.104 -0.268) 1.136 6.496 ( 0.000 4.503 0.211) 4.508 6.608 ( 0.000 1.633 -9.968) 10.101 6.942 ( 0.000 0.135 -1.626) 1.632 7.005 ( 0.000 3.532 -3.402) 4.904 7.142 ( 0.000 6.707 -6.428) 9.290 7.173 ( 0.000 1.254 -8.193) 8.288 8.204 ( 0.000 -6.105 7.337) 9.545 8.214 ( 0.000 -11.659 4.344) 12.442 8.303 ( 0.000 -2.699 -0.077) 2.700 8.359 ( 0.000 -4.337 -3.863) 5.808 8.388 ( 0.000 -2.200 2.800) 3.561 8.650 ( 0.000 2.098 -4.591) 5.048 8.744 ( 0.000 -4.439 1.137) 4.582 8.761 ( 0.000 -7.483 0.680) 7.514 8.898 ( 0.000 -0.312 -5.118) 5.127 8.900 ( 0.000 2.929 -3.121) 4.280 9.282 ( 0.000 8.113 3.748) 8.936 9.375 ( 0.000 7.018 0.878) 7.073 10.436 ( 0.000 -0.843 -3.867) 3.958 10.450 ( 0.000 -5.905 -4.921) 7.687 10.947 ( 0.000 2.255 -0.648) 2.347 10.952 ( 0.000 2.296 -0.929) 2.477 11.494 ( 0.000 -1.809 -3.296) 3.760 11.530 ( 0.000 -2.245 -3.870) 4.474 11.733 ( 0.000 3.944 4.428) 5.930 11.800 ( 0.000 -5.650 2.247) 6.080 12.017 ( 0.000 4.706 2.237) 5.210 12.184 ( 0.000 0.578 -4.726) 4.762 12.441 ( 0.000 7.435 2.139) 7.736 12.560 ( 0.000 -0.157 -3.851) 3.855 13.211 ( 0.000 0.213 8.434) 8.437 13.377 ( 0.000 0.740 -0.255) 0.783 14.585 ( 0.000 1.040 13.595) 13.635 15.002 ( 0.000 -2.228 -7.506) 7.830 15.652 ( 0.000 -10.420 2.599) 10.739 15.788 ( 0.000 -8.317 -4.836) 9.621 18.768 ( 0.000 8.382 0.321) 8.388 18.784 ( 0.000 8.755 -0.465) 8.767 18.785 ( 0.000 10.802 0.741) 10.828 18.861 ( 0.000 15.365 -3.671) 15.797 20.522 ( 0.000 -3.428 1.638) 3.799 20.585 ( 0.000 -2.923 -1.303) 3.200 21.079 ( 0.000 -1.711 0.694) 1.846 21.184 ( 0.000 -3.039 -3.805) 4.870 22.135 ( 0.000 0.369 1.135) 1.193 22.185 ( 0.000 0.072 -1.430) 1.431 22.640 ( 0.000 -0.150 0.229) 0.273 22.708 ( 0.000 -0.765 -3.580) 3.661 23.818 ( 0.000 -0.809 9.615) 9.649 23.873 ( 0.000 -0.597 6.743) 6.769 23.920 ( 0.000 -1.949 0.684) 2.065 24.265 ( 0.000 -4.996 -10.365) 11.506 ======================= Grid point 186 (65/90) ======================= q-point: ( 0.25 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.089 ( 4.158 9.310 16.887) 19.727 2.173 ( 6.579 1.116 15.319) 16.710 2.317 ( -3.906 11.637 7.889) 14.591 2.458 ( 0.612 12.157 0.438) 12.181 2.535 ( -2.415 5.239 4.436) 7.277 2.607 ( -4.126 9.085 -5.720) 11.501 2.731 ( -8.218 2.208 -2.101) 8.765 2.790 ( -10.874 1.180 -7.418) 13.216 2.866 ( 3.282 12.607 -6.549) 14.581 2.987 ( -1.849 11.647 -11.364) 16.377 3.301 ( 8.594 0.556 6.216) 10.621 3.419 ( 9.967 -0.227 -2.341) 10.241 3.659 ( 0.670 -5.592 3.990) 6.902 3.719 ( 2.898 -5.018 1.708) 6.042 4.106 ( 3.348 -0.389 0.130) 3.373 4.204 ( 2.603 -1.877 -5.514) 6.380 4.292 ( 2.629 -4.123 1.366) 5.077 4.527 ( -2.999 -4.335 -5.815) 7.848 4.599 ( 0.254 3.367 -2.461) 4.179 4.629 ( -2.312 4.778 -0.004) 5.308 4.793 ( -0.142 3.308 -5.452) 6.378 4.801 ( -0.318 6.470 -5.619) 8.575 4.995 ( -3.985 0.449 8.828) 9.696 5.077 ( 1.468 -0.959 0.794) 1.925 5.101 ( -2.723 -2.221 9.853) 10.461 5.404 ( -10.643 -3.574 8.311) 13.968 5.887 ( 2.315 -8.145 -0.473) 8.481 5.955 ( 0.726 -5.006 -5.955) 7.813 6.270 ( 2.551 -3.488 0.643) 4.369 6.291 ( -1.161 2.637 0.435) 2.914 6.372 ( -0.014 5.592 -0.794) 5.648 6.399 ( -1.317 5.160 1.054) 5.429 6.522 ( 3.321 2.712 0.882) 4.377 6.627 ( 0.732 0.730 -6.091) 6.178 6.960 ( 1.648 -0.118 -2.314) 2.843 7.012 ( 0.334 3.626 -3.017) 4.729 7.147 ( 0.398 5.500 -7.107) 8.995 7.171 ( -0.213 2.215 -7.784) 8.096 8.203 ( -0.699 -10.606 3.313) 11.133 8.212 ( 0.690 -9.472 4.782) 10.633 8.279 ( -0.230 -4.033 1.682) 4.376 8.377 ( -1.478 -4.116 2.077) 4.841 8.421 ( 4.129 0.034 -0.621) 4.176 8.616 ( -3.007 2.121 0.262) 3.689 8.746 ( 1.190 -5.234 -2.053) 5.747 8.795 ( 1.022 -5.753 0.568) 5.871 8.870 ( -0.473 0.234 -5.497) 5.522 8.917 ( -0.097 0.583 -5.141) 5.175 9.301 ( 1.525 7.987 3.025) 8.676 9.365 ( -0.843 7.207 1.124) 7.342 10.445 ( 0.741 -0.963 -4.043) 4.221 10.458 ( 0.483 -4.178 -4.998) 6.532 10.977 ( 2.392 1.108 -0.480) 2.680 10.984 ( 2.460 0.971 -0.860) 2.781 11.440 ( -4.010 -1.619 -2.015) 4.771 11.464 ( -4.214 -1.477 -3.318) 5.563 11.757 ( 1.493 -0.385 2.156) 2.651 11.804 ( -0.235 -4.531 0.799) 4.607 12.078 ( 5.414 8.357 3.022) 10.405 12.227 ( 2.462 6.381 -3.437) 7.654 12.429 ( -0.687 3.532 0.898) 3.709 12.527 ( -2.809 -1.246 -3.597) 4.731 13.205 ( -0.085 -0.469 7.493) 7.508 13.322 ( -4.228 0.020 1.277) 4.417 14.650 ( 5.483 1.000 11.856) 13.101 14.946 ( -4.937 -1.367 -2.319) 5.623 15.661 ( 1.075 -9.710 -0.061) 9.770 15.764 ( -2.130 -8.490 -4.893) 10.028 18.768 ( 0.045 8.417 0.433) 8.428 18.777 ( -0.282 8.727 0.622) 8.754 18.799 ( 0.867 11.197 -0.725) 11.254 18.848 ( -1.045 14.491 -2.990) 14.834 20.567 ( 4.276 -3.019 2.772) 5.924 20.666 ( 5.245 -3.214 -1.420) 6.313 21.009 ( -4.322 -2.041 0.653) 4.824 21.145 ( -4.200 -3.100 -5.320) 7.453 22.170 ( 3.571 0.564 0.972) 3.744 22.231 ( 3.747 0.173 -2.357) 4.430 22.553 ( -6.755 -0.217 0.256) 6.764 22.616 ( -7.319 -0.739 -3.219) 8.030 23.783 ( -0.981 -0.006 8.828) 8.882 23.819 ( -1.309 -0.330 5.973) 6.123 24.097 ( 8.974 -3.099 -0.030) 9.494 24.284 ( 0.678 -4.992 -8.243) 9.661 ======================= Grid point 187 (66/90) ======================= q-point: (-0.50 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( -5.352 10.476 11.921) 16.749 2.201 ( 5.352 10.476 11.921) 16.749 2.354 ( -8.110 0.930 9.079) 12.209 2.354 ( 8.110 0.930 9.079) 12.209 2.548 ( -2.429 12.758 -1.793) 13.110 2.548 ( 2.429 12.758 -1.793) 13.110 2.639 ( -1.716 0.261 -6.790) 7.009 2.639 ( 1.716 0.261 -6.790) 7.009 2.937 ( -2.756 13.015 -9.117) 16.127 2.937 ( 2.756 13.015 -9.117) 16.127 3.456 ( -4.720 -0.443 3.749) 6.044 3.456 ( 4.720 -0.443 3.749) 6.044 3.730 ( -2.988 -7.065 1.536) 7.823 3.730 ( 2.988 -7.065 1.536) 7.823 4.188 ( -2.962 -1.171 -3.464) 4.705 4.188 ( 2.962 -1.171 -3.464) 4.705 4.416 ( -6.063 -1.776 0.532) 6.340 4.416 ( 6.063 -1.776 0.532) 6.340 4.605 ( -0.044 3.029 -2.922) 4.209 4.605 ( 0.044 3.029 -2.922) 4.209 4.787 ( -0.939 3.812 -7.600) 8.554 4.787 ( 0.939 3.812 -7.600) 8.554 4.986 ( -4.160 1.367 13.117) 13.829 4.986 ( 4.160 1.367 13.117) 13.829 5.193 ( -7.389 -1.224 4.231) 8.602 5.193 ( 7.389 -1.224 4.231) 8.602 5.947 ( -2.068 -7.610 -3.814) 8.760 5.947 ( 2.068 -7.610 -3.814) 8.760 6.275 ( -1.163 4.098 0.282) 4.269 6.275 ( 1.163 4.098 0.282) 4.269 6.379 ( -0.769 2.792 -1.043) 3.078 6.379 ( 0.769 2.792 -1.043) 3.078 6.606 ( -2.860 -0.041 -1.263) 3.127 6.606 ( 2.860 -0.041 -1.263) 3.127 7.001 ( -1.508 1.639 -2.655) 3.465 7.001 ( 1.508 1.639 -2.655) 3.465 7.160 ( -0.731 4.025 -7.477) 8.523 7.160 ( 0.731 4.025 -7.477) 8.523 8.208 ( -0.948 -10.882 3.052) 11.342 8.208 ( 0.948 -10.882 3.052) 11.342 8.316 ( -3.237 -5.481 1.537) 6.549 8.316 ( 3.237 -5.481 1.537) 6.549 8.527 ( -4.837 3.182 2.743) 6.407 8.527 ( 4.837 3.182 2.743) 6.407 8.780 ( -1.628 -5.123 -1.810) 5.672 8.780 ( 1.628 -5.123 -1.810) 5.672 8.894 ( -1.744 -0.856 -5.931) 6.242 8.894 ( 1.744 -0.856 -5.931) 6.242 9.338 ( -1.570 7.616 1.847) 7.993 9.338 ( 1.570 7.616 1.847) 7.993 10.460 ( -0.412 -1.731 -4.618) 4.949 10.460 ( 0.412 -1.731 -4.618) 4.949 11.019 ( -0.340 -0.513 -0.487) 0.785 11.019 ( 0.340 -0.513 -0.487) 0.785 11.392 ( -0.954 -1.141 -2.576) 2.975 11.392 ( 0.954 -1.141 -2.576) 2.975 11.787 ( -1.153 -3.233 0.838) 3.533 11.787 ( 1.153 -3.233 0.838) 3.533 12.208 ( -4.716 13.347 1.185) 14.205 12.208 ( 4.716 13.347 1.185) 14.205 12.454 ( -3.106 -3.076 -2.723) 5.150 12.454 ( 3.106 -3.076 -2.723) 5.150 13.233 ( -2.974 -0.935 4.664) 5.610 13.233 ( 2.974 -0.935 4.664) 5.610 14.801 ( -7.440 0.230 6.463) 9.858 14.801 ( 7.440 0.230 6.463) 9.858 15.706 ( -2.721 -8.860 -3.805) 10.020 15.706 ( 2.721 -8.860 -3.805) 10.020 18.771 ( -0.209 8.430 0.626) 8.456 18.771 ( 0.209 8.430 0.626) 8.456 18.822 ( -1.193 12.761 -1.767) 12.938 18.822 ( 1.193 12.761 -1.767) 12.938 20.684 ( -4.570 -2.840 3.053) 6.187 20.684 ( 4.570 -2.840 3.053) 6.187 21.015 ( -5.649 -2.971 -4.890) 8.040 21.015 ( 5.649 -2.971 -4.890) 8.040 22.275 ( -3.368 0.797 -1.210) 3.666 22.275 ( 3.368 0.797 -1.210) 3.666 22.464 ( -3.205 -0.776 -1.390) 3.578 22.464 ( 3.205 -0.776 -1.390) 3.578 23.792 ( -1.165 0.157 7.443) 7.535 23.792 ( 1.165 0.157 7.443) 7.535 24.250 ( -4.265 -4.426 -4.231) 7.462 24.250 ( 4.265 -4.426 -4.231) 7.462 ======================= Grid point 190 (67/90) ======================= q-point: ( 0.00 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.183 ( 0.000 6.613 16.091) 17.397 2.231 ( 0.000 9.662 15.651) 18.393 2.568 ( 0.000 6.053 3.125) 6.812 2.714 ( 0.000 11.966 -1.903) 12.116 2.747 ( 0.000 10.778 2.518) 11.068 2.829 ( 0.000 0.655 2.883) 2.956 2.874 ( 0.000 1.488 -7.240) 7.392 3.024 ( 0.000 0.899 -8.217) 8.266 3.101 ( 0.000 8.904 2.229) 9.179 3.226 ( 0.000 11.925 1.119) 11.977 3.249 ( 0.000 14.922 0.869) 14.947 3.383 ( 0.000 16.992 -6.369) 18.147 3.595 ( 0.000 -3.443 -0.313) 3.458 3.617 ( 0.000 0.445 1.109) 1.195 4.033 ( 0.000 -2.559 2.292) 3.435 4.092 ( 0.000 -3.675 -4.648) 5.926 4.141 ( 0.000 -6.155 2.420) 6.614 4.496 ( 0.000 -1.653 -8.622) 8.779 4.614 ( 0.000 -3.451 0.977) 3.587 4.707 ( 0.000 -4.275 0.587) 4.315 4.934 ( 0.000 10.697 -4.445) 11.583 4.964 ( 0.000 10.524 1.569) 10.640 4.997 ( 0.000 -1.367 -3.175) 3.457 5.060 ( 0.000 -4.325 1.500) 4.578 5.074 ( 0.000 0.800 10.091) 10.123 5.424 ( 0.000 -6.224 3.041) 6.927 5.698 ( 0.000 -6.081 0.197) 6.084 5.876 ( 0.000 -4.166 -9.455) 10.332 6.100 ( 0.000 -3.760 2.146) 4.329 6.280 ( 0.000 -6.110 -6.684) 9.056 6.451 ( 0.000 3.915 1.295) 4.124 6.482 ( 0.000 2.090 2.500) 3.258 6.626 ( 0.000 6.533 -5.169) 8.331 6.696 ( 0.000 5.159 -8.784) 10.187 6.998 ( 0.000 5.333 4.448) 6.944 7.074 ( 0.000 3.921 2.116) 4.455 7.240 ( 0.000 4.611 -5.536) 7.205 7.258 ( 0.000 4.318 -5.716) 7.163 7.926 ( 0.000 -16.169 3.150) 16.473 7.960 ( 0.000 -15.986 1.354) 16.043 8.247 ( 0.000 -2.479 -1.244) 2.774 8.263 ( 0.000 -4.619 -2.369) 5.191 8.433 ( 0.000 5.104 6.370) 8.163 8.599 ( 0.000 -5.607 -1.609) 5.834 8.610 ( 0.000 -7.371 1.951) 7.625 8.745 ( 0.000 2.885 -2.381) 3.740 8.895 ( 0.000 0.249 -1.632) 1.651 8.962 ( 0.000 2.942 -2.144) 3.640 9.452 ( 0.000 8.918 1.421) 9.030 9.529 ( 0.000 8.410 -0.379) 8.418 10.301 ( 0.000 -8.985 -2.632) 9.363 10.379 ( 0.000 -5.498 -5.906) 8.069 10.999 ( 0.000 2.995 -0.442) 3.027 11.014 ( 0.000 3.971 -1.297) 4.177 11.435 ( 0.000 -4.060 -2.693) 4.872 11.445 ( 0.000 -6.183 -1.522) 6.368 11.742 ( 0.000 0.178 2.324) 2.331 11.830 ( 0.000 5.113 -0.343) 5.124 12.112 ( 0.000 4.668 0.806) 4.738 12.195 ( 0.000 0.448 -3.393) 3.422 12.558 ( 0.000 0.071 -0.109) 0.130 12.581 ( 0.000 5.410 -0.346) 5.421 13.237 ( 0.000 2.925 7.711) 8.248 13.400 ( 0.000 1.503 -0.172) 1.513 14.618 ( 0.000 2.309 11.207) 11.443 14.941 ( 0.000 -3.859 -5.122) 6.413 15.425 ( 0.000 -11.168 4.861) 12.180 15.581 ( 0.000 -11.764 -3.894) 12.391 18.981 ( 0.000 12.799 0.687) 12.818 19.010 ( 0.000 13.220 -0.522) 13.230 19.061 ( 0.000 15.440 0.410) 15.446 19.209 ( 0.000 17.454 -8.259) 19.309 20.433 ( 0.000 -5.135 1.719) 5.415 20.506 ( 0.000 -4.819 -1.724) 5.118 21.028 ( 0.000 -3.408 -0.279) 3.420 21.097 ( 0.000 -5.573 -3.026) 6.341 22.145 ( 0.000 0.625 0.918) 1.111 22.185 ( 0.000 -0.062 -1.172) 1.174 22.637 ( 0.000 -0.072 -0.149) 0.165 22.689 ( 0.000 -1.161 -3.056) 3.269 23.799 ( 0.000 -1.015 8.477) 8.538 23.863 ( 0.000 -0.245 5.681) 5.686 23.871 ( 0.000 -2.795 2.410) 3.691 24.142 ( 0.000 -6.888 -6.410) 9.409 ======================= Grid point 191 (68/90) ======================= q-point: ( 0.25 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.226 ( 4.116 4.202 12.257) 13.595 2.277 ( 4.087 8.859 13.369) 16.550 2.486 ( -5.833 5.730 4.259) 9.219 2.631 ( -8.116 2.516 0.033) 8.497 2.700 ( -4.474 4.679 2.326) 6.880 2.749 ( -2.374 7.697 -4.254) 9.110 2.824 ( -5.267 7.284 -3.385) 9.605 2.937 ( -4.787 9.992 -3.859) 11.732 3.123 ( 6.217 10.901 -0.045) 12.550 3.267 ( 1.491 14.982 -7.299) 16.732 3.398 ( 5.889 11.044 4.421) 13.274 3.462 ( 4.253 5.948 -1.382) 7.441 3.572 ( 0.547 -0.658 4.231) 4.317 3.644 ( 1.408 -0.446 0.061) 1.478 4.077 ( 3.173 -2.434 -1.201) 4.176 4.133 ( 1.271 -4.466 -3.466) 5.794 4.210 ( 7.001 -4.043 0.940) 8.139 4.464 ( -3.258 -2.380 -6.177) 7.378 4.614 ( 0.279 -3.492 1.167) 3.692 4.659 ( -2.832 -3.834 0.137) 4.769 4.910 ( -1.724 7.373 -5.192) 9.181 4.964 ( -1.361 10.255 -1.928) 10.523 5.010 ( -1.911 1.280 11.533) 11.760 5.053 ( 3.125 1.043 2.695) 4.256 5.072 ( 0.235 -0.978 1.180) 1.550 5.330 ( -6.947 -3.466 1.899) 7.993 5.735 ( 2.828 -6.379 -1.755) 7.195 5.851 ( -1.760 -5.711 -6.910) 9.136 6.172 ( 4.773 -3.979 -0.843) 6.271 6.270 ( -0.477 -4.663 -4.873) 6.761 6.444 ( 0.114 3.785 -0.312) 3.799 6.547 ( 3.146 0.585 0.247) 3.209 6.584 ( -1.964 8.465 -3.839) 9.500 6.713 ( 0.063 6.269 -4.589) 7.770 6.981 ( -0.162 2.611 3.091) 4.049 7.072 ( -1.019 3.239 2.138) 4.012 7.234 ( 0.424 4.478 -6.289) 7.732 7.270 ( 0.479 4.623 -5.848) 7.469 7.920 ( -0.425 -16.578 2.524) 16.775 7.944 ( -1.168 -16.386 1.286) 16.478 8.213 ( -0.632 -2.430 0.873) 2.658 8.280 ( -1.079 -3.956 -2.082) 4.598 8.472 ( 3.467 2.924 4.205) 6.185 8.587 ( -1.429 -5.098 -0.456) 5.314 8.629 ( 2.286 -5.107 1.233) 5.730 8.756 ( -0.077 2.118 0.167) 2.126 8.874 ( -0.983 -0.027 -3.177) 3.325 8.944 ( -1.672 1.727 -2.885) 3.755 9.467 ( 1.193 8.674 0.913) 8.803 9.521 ( -0.774 8.368 -0.292) 8.409 10.330 ( 2.256 -8.565 -3.328) 9.462 10.385 ( 0.278 -5.986 -5.617) 8.213 11.009 ( 0.825 2.287 -0.495) 2.481 11.021 ( 0.468 2.899 -1.102) 3.136 11.389 ( -3.200 -3.688 -1.818) 5.210 11.398 ( -3.231 -4.941 -1.952) 6.217 11.760 ( 1.337 1.663 1.469) 2.591 11.810 ( -1.111 4.050 0.053) 4.200 12.224 ( 8.195 4.668 -0.581) 9.449 12.268 ( 5.546 -1.629 -2.887) 6.461 12.519 ( -2.681 1.876 0.955) 3.409 12.572 ( -1.715 8.971 -1.333) 9.231 13.199 ( -2.351 0.142 7.445) 7.809 13.323 ( -5.996 -0.084 1.223) 6.120 14.685 ( 5.426 2.629 9.823) 11.525 14.917 ( -2.533 -1.304 -1.228) 3.102 15.435 ( 1.278 -11.948 2.219) 12.219 15.553 ( -2.415 -11.999 -3.646) 12.772 18.982 ( 0.080 12.756 0.691) 12.775 18.998 ( -0.684 13.034 0.190) 13.054 19.083 ( 1.748 15.733 -1.078) 15.866 19.183 ( -2.096 17.101 -6.665) 18.473 20.488 ( 4.877 -4.443 2.365) 7.008 20.581 ( 5.319 -4.921 -1.741) 7.452 20.948 ( -5.170 -4.043 0.236) 6.568 21.055 ( -4.444 -5.821 -4.615) 8.656 22.186 ( 3.927 0.951 0.715) 4.103 22.234 ( 4.122 0.105 -1.939) 4.556 22.549 ( -7.007 -0.171 -0.093) 7.009 22.596 ( -7.294 -1.122 -2.773) 7.884 23.786 ( -0.037 0.434 7.778) 7.791 23.815 ( -0.610 0.071 5.328) 5.364 24.018 ( 7.047 -4.546 1.547) 8.528 24.159 ( 0.714 -7.133 -4.750) 8.600 ======================= Grid point 192 (69/90) ======================= q-point: (-0.50 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.343 ( -5.455 3.693 6.643) 9.356 2.343 ( 5.455 3.693 6.643) 9.356 2.434 ( -8.725 6.042 7.345) 12.906 2.434 ( 8.725 6.042 7.345) 12.906 2.647 ( -1.567 1.114 -3.305) 3.824 2.647 ( 1.567 1.114 -3.305) 3.824 2.847 ( -3.033 12.871 -2.778) 13.513 2.847 ( 3.033 12.871 -2.778) 13.513 3.246 ( -3.452 15.726 -3.420) 16.460 3.246 ( 3.452 15.726 -3.420) 16.460 3.471 ( -2.000 3.859 3.586) 5.634 3.471 ( 2.000 3.859 3.586) 5.634 3.641 ( -2.589 0.620 0.985) 2.839 3.641 ( 2.589 0.620 0.985) 2.839 4.136 ( -1.442 -3.553 -2.253) 4.448 4.136 ( 1.442 -3.553 -2.253) 4.448 4.363 ( -5.644 -2.911 -2.531) 6.836 4.363 ( 5.644 -2.911 -2.531) 6.836 4.623 ( -0.543 -3.978 0.043) 4.015 4.623 ( 0.543 -3.978 0.043) 4.015 4.899 ( -1.699 7.072 -2.343) 7.641 4.899 ( 1.699 7.072 -2.343) 7.641 5.028 ( -2.187 3.712 11.568) 12.344 5.028 ( 2.187 3.712 11.568) 12.344 5.178 ( -6.213 0.053 -3.071) 6.931 5.178 ( 6.213 0.053 -3.071) 6.931 5.801 ( -2.756 -7.103 -4.372) 8.784 5.801 ( 2.756 -7.103 -4.372) 8.784 6.252 ( -1.934 -2.986 -2.760) 4.503 6.252 ( 1.934 -2.986 -2.760) 4.503 6.481 ( -3.560 3.485 -3.584) 6.137 6.481 ( 3.560 3.485 -3.584) 6.137 6.665 ( -4.097 6.161 0.440) 7.412 6.665 ( 4.097 6.161 0.440) 7.412 7.020 ( -2.990 1.262 1.127) 3.435 7.020 ( 2.990 1.262 1.127) 3.435 7.262 ( -1.322 4.949 -6.012) 7.898 7.262 ( 1.322 4.949 -6.012) 7.898 7.920 ( -0.671 -17.133 1.551) 17.217 7.920 ( 0.671 -17.133 1.551) 17.217 8.233 ( -2.207 -2.595 0.683) 3.474 8.233 ( 2.207 -2.595 0.683) 3.474 8.545 ( -2.553 -2.567 0.128) 3.623 8.545 ( 2.553 -2.567 0.128) 3.623 8.703 ( -3.963 -0.351 2.975) 4.968 8.703 ( 3.963 -0.351 2.975) 4.968 8.894 ( -2.359 0.249 -4.416) 5.013 8.894 ( 2.359 0.249 -4.416) 5.013 9.497 ( -1.332 8.376 0.132) 8.483 9.497 ( 1.332 8.376 0.132) 8.483 10.376 ( -1.398 -7.307 -4.692) 8.795 10.376 ( 1.398 -7.307 -4.692) 8.795 11.025 ( -0.338 1.478 -0.710) 1.674 11.025 ( 0.338 1.478 -0.710) 1.674 11.348 ( -0.380 -3.379 -1.796) 3.846 11.348 ( 0.380 -3.379 -1.796) 3.846 11.788 ( -1.061 3.318 0.596) 3.534 11.788 ( 1.061 3.318 0.596) 3.534 12.360 ( -1.343 -5.587 -3.036) 6.499 12.360 ( 1.343 -5.587 -3.036) 6.499 12.496 ( -3.262 14.390 0.847) 14.780 12.496 ( 3.262 14.390 0.847) 14.780 13.201 ( -3.427 -2.491 4.783) 6.390 13.201 ( 3.427 -2.491 4.783) 6.390 14.820 ( -5.914 1.978 5.658) 8.421 14.820 ( 5.914 1.978 5.658) 8.421 15.487 ( -3.100 -12.421 -1.993) 12.956 15.487 ( 3.100 -12.421 -1.993) 12.956 18.987 ( -0.355 12.778 0.611) 12.797 18.987 ( 0.355 12.778 0.611) 12.797 19.130 ( -2.393 16.400 -3.669) 16.975 19.130 ( 2.393 16.400 -3.669) 16.975 20.613 ( -4.339 -3.845 2.246) 6.217 20.613 ( 4.339 -3.845 2.246) 6.217 20.927 ( -4.922 -5.901 -4.274) 8.793 20.927 ( 4.922 -5.901 -4.274) 8.793 22.298 ( -3.239 1.493 -1.159) 3.750 22.298 ( 3.239 1.493 -1.159) 3.750 22.442 ( -3.060 -1.399 -1.259) 3.593 22.442 ( 3.060 -1.399 -1.259) 3.593 23.801 ( -0.855 0.890 6.533) 6.648 23.801 ( 0.855 0.890 6.533) 6.648 24.137 ( -3.183 -6.609 -1.680) 7.526 24.137 ( 3.183 -6.609 -1.680) 7.526 ======================= Grid point 195 (70/90) ======================= q-point: ( 0.00 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.339 ( 0.000 8.813 11.769) 14.703 2.410 ( 0.000 8.674 10.505) 13.623 2.648 ( 0.000 -0.763 3.711) 3.789 2.742 ( 0.000 0.068 0.994) 0.996 2.772 ( 0.000 -8.018 0.014) 8.018 2.849 ( 0.000 1.192 -5.585) 5.710 2.987 ( 0.000 7.050 2.763) 7.572 3.077 ( 0.000 2.472 -2.013) 3.188 3.291 ( 0.000 8.666 1.559) 8.805 3.403 ( 0.000 2.744 -0.753) 2.845 3.502 ( 0.000 10.678 3.136) 11.129 3.627 ( 0.000 5.070 -1.909) 5.418 3.719 ( 0.000 7.103 -1.870) 7.345 3.724 ( 0.000 16.880 -5.092) 17.631 3.953 ( 0.000 -5.428 -0.283) 5.435 4.032 ( 0.000 -0.786 -5.419) 5.476 4.117 ( 0.000 5.288 9.385) 10.772 4.440 ( 0.000 -5.153 -0.743) 5.206 4.489 ( 0.000 -8.124 1.984) 8.363 4.540 ( 0.000 -10.911 1.225) 10.979 4.956 ( 0.000 -1.454 -0.985) 1.757 4.981 ( 0.000 -3.118 -0.945) 3.258 5.079 ( 0.000 1.251 7.503) 7.606 5.134 ( 0.000 5.885 -0.046) 5.885 5.228 ( 0.000 11.805 -6.842) 13.645 5.339 ( 0.000 -0.688 -5.163) 5.208 5.641 ( 0.000 0.131 -1.906) 1.911 5.785 ( 0.000 -5.017 -5.833) 7.694 6.066 ( 0.000 0.794 -2.370) 2.499 6.172 ( 0.000 -3.962 -8.306) 9.203 6.490 ( 0.000 -0.964 2.008) 2.228 6.491 ( 0.000 -0.119 2.570) 2.572 6.727 ( 0.000 4.385 -4.909) 6.582 6.780 ( 0.000 3.360 -8.891) 9.505 7.116 ( 0.000 5.016 4.534) 6.761 7.162 ( 0.000 3.816 3.348) 5.076 7.279 ( 0.000 -2.382 -2.353) 3.348 7.290 ( 0.000 -0.800 -3.415) 3.507 7.653 ( 0.000 -9.311 0.961) 9.360 7.664 ( 0.000 -11.337 -0.229) 11.340 8.204 ( 0.000 -0.842 -0.593) 1.030 8.226 ( 0.000 0.281 -1.366) 1.395 8.455 ( 0.000 -5.242 1.372) 5.419 8.486 ( 0.000 -5.515 -0.205) 5.519 8.573 ( 0.000 5.984 5.437) 8.085 8.766 ( 0.000 -1.648 -3.876) 4.212 8.932 ( 0.000 3.512 2.470) 4.294 9.004 ( 0.000 1.083 -0.689) 1.283 9.638 ( 0.000 10.107 -0.138) 10.108 9.711 ( 0.000 10.109 -1.935) 10.292 10.104 ( 0.000 -10.632 -1.594) 10.751 10.212 ( 0.000 -11.060 -5.907) 12.539 11.069 ( 0.000 4.237 -0.062) 4.238 11.106 ( 0.000 5.048 -2.104) 5.469 11.312 ( 0.000 -6.646 0.480) 6.663 11.341 ( 0.000 -5.243 -2.394) 5.764 11.788 ( 0.000 3.780 -0.385) 3.799 11.897 ( 0.000 0.969 -4.308) 4.416 12.188 ( 0.000 2.791 -1.176) 3.029 12.205 ( 0.000 0.677 -2.116) 2.222 12.570 ( 0.000 1.240 4.086) 4.270 12.631 ( 0.000 -0.020 2.107) 2.107 13.324 ( 0.000 5.224 4.432) 6.851 13.425 ( 0.000 0.663 0.278) 0.719 14.677 ( 0.000 3.682 7.576) 8.423 14.855 ( 0.000 -4.711 -1.408) 4.917 15.255 ( 0.000 -5.352 4.167) 6.782 15.361 ( 0.000 -9.683 -1.800) 9.849 19.244 ( 0.000 12.966 -0.140) 12.966 19.264 ( 0.000 11.441 -0.610) 11.457 19.330 ( 0.000 10.298 -0.041) 10.298 19.466 ( 0.000 6.908 -7.994) 10.566 20.350 ( 0.000 -2.410 0.499) 2.461 20.411 ( 0.000 -4.337 -2.205) 4.865 20.953 ( 0.000 -3.712 -1.316) 3.939 20.980 ( 0.000 -5.581 -2.136) 5.976 22.159 ( 0.000 0.703 0.477) 0.850 22.181 ( 0.000 -0.354 -0.721) 0.803 22.639 ( 0.000 0.255 -0.736) 0.779 22.666 ( 0.000 -1.081 -2.299) 2.540 23.784 ( 0.000 -0.390 7.184) 7.195 23.820 ( 0.000 -2.242 4.308) 4.857 23.872 ( 0.000 1.300 3.787) 4.004 24.013 ( 0.000 -5.850 -2.335) 6.299 ======================= Grid point 196 (71/90) ======================= q-point: ( 0.25 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.331 ( 0.734 6.098 8.111) 10.175 2.435 ( 1.996 7.009 7.223) 10.261 2.568 ( -5.338 -0.144 1.492) 5.544 2.621 ( -6.059 2.018 -0.187) 6.389 2.753 ( -4.855 -1.488 -1.306) 5.243 2.819 ( -6.464 2.659 0.220) 6.993 2.927 ( -2.832 0.336 0.305) 2.868 2.953 ( -4.644 -5.132 0.456) 6.936 3.356 ( 6.682 11.675 2.518) 13.685 3.499 ( 6.074 3.705 -2.589) 7.571 3.571 ( 2.199 12.813 3.307) 13.415 3.680 ( 3.336 8.794 2.647) 9.771 3.718 ( -1.370 8.289 -4.054) 9.328 3.755 ( 3.787 13.347 0.760) 13.894 4.030 ( 3.127 -0.918 -2.067) 3.860 4.094 ( 5.184 0.030 -4.528) 6.884 4.134 ( 2.963 -1.162 7.589) 8.230 4.398 ( -3.551 -5.126 0.047) 6.237 4.480 ( -0.770 -8.971 1.229) 9.088 4.509 ( -2.079 -9.928 -0.069) 10.144 4.948 ( -0.049 -0.403 0.629) 0.749 5.002 ( 1.035 -1.516 0.772) 1.991 5.053 ( -1.716 0.336 3.156) 3.608 5.137 ( -0.611 2.782 2.844) 4.025 5.245 ( 1.578 12.330 -6.326) 13.948 5.313 ( -1.601 4.686 -6.347) 8.051 5.647 ( 0.310 -2.812 -3.860) 4.786 5.732 ( -3.654 -6.131 -5.537) 9.033 6.136 ( 5.235 0.454 -2.508) 5.822 6.192 ( 2.231 -2.233 -5.983) 6.765 6.474 ( -1.635 -0.863 -0.408) 1.894 6.516 ( -0.174 -3.556 -1.118) 3.732 6.731 ( 2.038 7.055 -2.258) 7.683 6.833 ( 3.662 5.170 -6.147) 8.828 7.062 ( -3.873 4.888 5.906) 8.589 7.157 ( -2.003 4.611 3.941) 6.388 7.284 ( 0.856 -0.686 -4.259) 4.398 7.301 ( 1.907 -2.258 -3.574) 4.637 7.618 ( -2.765 -11.794 0.721) 12.135 7.629 ( -2.877 -13.265 -0.374) 13.579 8.198 ( 0.515 1.211 0.633) 1.461 8.247 ( 0.595 0.595 -1.709) 1.905 8.435 ( -0.962 -5.380 1.425) 5.648 8.476 ( -1.054 -5.821 -0.621) 5.949 8.636 ( 4.942 4.963 4.447) 8.297 8.794 ( 2.172 -0.406 -2.930) 3.670 8.889 ( -3.376 2.619 2.631) 5.018 8.968 ( -3.016 0.386 -0.819) 3.149 9.651 ( 1.070 10.257 -0.611) 10.331 9.703 ( -0.703 10.424 -2.003) 10.638 10.128 ( 1.966 -11.517 -2.250) 11.899 10.206 ( -0.696 -11.720 -5.392) 12.919 11.070 ( 0.174 3.941 -0.319) 3.957 11.096 ( -0.729 4.511 -1.752) 4.894 11.285 ( -1.795 -5.827 -0.115) 6.099 11.305 ( -2.523 -4.848 -2.057) 5.839 11.834 ( 3.456 5.190 -0.477) 6.254 11.905 ( 0.591 4.440 -2.690) 5.225 12.205 ( 0.905 -3.818 -2.107) 4.454 12.233 ( 1.000 -2.650 -3.408) 4.432 12.614 ( 5.412 6.347 5.304) 9.885 12.710 ( 5.859 3.936 0.642) 7.087 13.221 ( -7.938 2.196 5.233) 9.758 13.313 ( -8.955 -1.113 1.172) 9.100 14.757 ( 6.185 4.597 6.765) 10.254 14.900 ( 2.692 -0.745 -0.315) 2.811 15.229 ( -1.533 -7.892 3.464) 8.755 15.324 ( -3.180 -10.432 -1.570) 11.019 19.242 ( -0.131 12.668 -0.070) 12.669 19.254 ( -0.682 11.795 -0.232) 11.817 19.350 ( 1.542 9.597 -1.282) 9.804 19.441 ( -1.999 7.348 -6.511) 10.019 20.420 ( 5.966 -1.588 0.818) 6.227 20.491 ( 6.304 -3.793 -2.354) 7.724 20.861 ( -6.589 -4.082 -0.294) 7.756 20.927 ( -5.327 -6.625 -3.488) 9.189 22.206 ( 4.384 1.013 0.219) 4.505 22.233 ( 4.541 -0.261 -1.276) 4.724 22.549 ( -7.267 0.182 -0.668) 7.300 22.574 ( -7.325 -1.053 -2.129) 7.700 23.801 ( 1.602 1.159 6.449) 6.745 23.828 ( 0.715 1.193 4.330) 4.548 23.934 ( 4.057 -3.460 3.048) 6.142 24.022 ( 0.359 -6.315 -1.165) 6.431 ======================= Grid point 197 (72/90) ======================= q-point: (-0.50 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.416 ( -6.403 4.021 2.397) 7.932 2.416 ( 6.403 4.021 2.397) 7.932 2.514 ( -4.095 1.537 -1.194) 4.534 2.514 ( 4.095 1.537 -1.194) 4.534 2.680 ( -1.904 2.815 4.854) 5.926 2.680 ( 1.904 2.815 4.854) 5.926 2.913 ( -0.534 -4.856 -0.694) 4.934 2.913 ( 0.534 -4.856 -0.694) 4.934 3.502 ( -4.704 10.744 4.751) 12.655 3.502 ( 4.704 10.744 4.751) 12.655 3.649 ( -3.972 9.966 -3.843) 11.396 3.649 ( 3.972 9.966 -3.843) 11.396 3.775 ( -2.948 10.612 2.474) 11.288 3.775 ( 2.948 10.612 2.474) 11.288 4.092 ( -2.622 0.905 1.440) 3.125 4.092 ( 2.622 0.905 1.440) 3.125 4.290 ( -6.582 -5.128 -0.649) 8.369 4.290 ( 6.582 -5.128 -0.649) 8.369 4.473 ( -0.763 -9.805 -0.361) 9.842 4.473 ( 0.763 -9.805 -0.361) 9.842 4.971 ( -2.191 1.840 3.588) 4.589 4.971 ( 2.191 1.840 3.588) 4.589 5.084 ( -3.391 -1.621 0.418) 3.782 5.084 ( 3.391 -1.621 0.418) 3.782 5.285 ( -1.434 11.644 -5.758) 13.069 5.285 ( 1.434 11.644 -5.758) 13.069 5.665 ( -1.892 -6.965 -5.675) 9.182 5.665 ( 1.892 -6.965 -5.675) 9.182 6.230 ( -1.283 1.625 -2.642) 3.357 6.230 ( 1.283 1.625 -2.642) 3.357 6.460 ( -2.184 -5.110 -4.185) 6.957 6.460 ( 2.184 -5.110 -4.185) 6.957 6.829 ( -4.820 9.794 0.326) 10.921 6.829 ( 4.820 9.794 0.326) 10.921 7.063 ( -4.660 2.040 2.554) 5.692 7.063 ( 4.660 2.040 2.554) 5.692 7.326 ( -0.954 1.507 -3.499) 3.927 7.326 ( 0.954 1.507 -3.499) 3.927 7.576 ( -0.417 -16.241 -0.008) 16.246 7.576 ( 0.417 -16.241 -0.008) 16.246 8.230 ( -1.822 2.389 0.235) 3.013 8.230 ( 1.822 2.389 0.235) 3.013 8.442 ( -1.509 -6.481 -0.293) 6.661 8.442 ( 1.509 -6.481 -0.293) 6.661 8.760 ( -5.481 4.522 3.056) 7.735 8.760 ( 5.481 4.522 3.056) 7.735 8.888 ( -3.593 -1.103 -1.235) 3.956 8.888 ( 3.593 -1.103 -1.235) 3.956 9.680 ( -1.336 10.551 -1.544) 10.747 9.680 ( 1.336 10.551 -1.544) 10.747 10.176 ( -1.992 -12.388 -3.914) 13.143 10.176 ( 1.992 -12.388 -3.914) 13.143 11.080 ( -0.654 3.856 -0.962) 4.028 11.080 ( 0.654 3.856 -0.962) 4.028 11.265 ( -0.501 -4.793 -1.222) 4.972 11.265 ( 0.501 -4.793 -1.222) 4.972 11.900 ( -1.694 7.404 -1.007) 7.662 11.900 ( 1.694 7.404 -1.007) 7.662 12.224 ( -1.023 -7.809 -3.099) 8.463 12.224 ( 1.023 -7.809 -3.099) 8.463 12.769 ( -4.557 12.698 1.882) 13.622 12.769 ( 4.557 12.698 1.882) 13.622 13.126 ( -4.031 -5.289 4.373) 7.958 13.126 ( 4.031 -5.289 4.373) 7.958 14.890 ( -4.318 5.322 4.125) 7.999 14.890 ( 4.318 5.322 4.125) 7.999 15.242 ( -3.131 -11.871 -0.007) 12.277 15.242 ( 3.131 -11.871 -0.007) 12.277 19.243 ( -0.265 12.210 -0.030) 12.213 19.243 ( 0.265 12.210 -0.030) 12.213 19.392 ( -2.185 8.398 -3.715) 9.439 19.392 ( 2.185 8.398 -3.715) 9.439 20.565 ( -4.108 -0.020 0.652) 4.160 20.565 ( 4.108 -0.020 0.652) 4.160 20.787 ( -4.207 -8.039 -3.347) 9.671 20.787 ( 4.207 -8.039 -3.347) 9.671 22.332 ( -3.076 1.936 -1.107) 3.799 22.332 ( 3.076 1.936 -1.107) 3.799 22.410 ( -2.950 -1.826 -1.139) 3.652 22.410 ( 2.950 -1.826 -1.139) 3.652 23.833 ( -0.670 2.408 5.161) 5.734 23.833 ( 0.670 2.408 5.161) 5.734 24.006 ( -2.056 -6.246 1.059) 6.660 24.006 ( 2.056 -6.246 1.059) 6.660 ======================= Grid point 200 (73/90) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.506 ( 0.000 -6.262 7.688) 9.915 2.506 ( 0.000 6.262 7.688) 9.915 2.606 ( 0.000 -6.853 4.210) 8.043 2.606 ( 0.000 6.853 4.210) 8.043 2.813 ( 0.000 -3.939 -1.882) 4.365 2.813 ( 0.000 3.939 -1.882) 4.365 3.071 ( 0.000 -2.434 1.477) 2.847 3.071 ( 0.000 2.434 1.477) 2.847 3.416 ( 0.000 -2.752 -1.936) 3.365 3.416 ( 0.000 2.752 -1.936) 3.365 3.637 ( 0.000 -2.381 -0.271) 2.397 3.637 ( 0.000 2.381 -0.271) 2.397 3.830 ( 0.000 -6.354 2.016) 6.666 3.830 ( 0.000 6.354 2.016) 6.666 4.011 ( 0.000 -7.974 -6.027) 9.996 4.011 ( 0.000 7.974 -6.027) 9.996 4.303 ( 0.000 -9.937 6.191) 11.707 4.303 ( 0.000 9.937 6.191) 11.707 4.365 ( 0.000 -0.079 3.065) 3.066 4.365 ( 0.000 0.079 3.065) 3.066 4.945 ( 0.000 -0.516 -2.756) 2.804 4.945 ( 0.000 0.516 -2.756) 2.804 5.125 ( 0.000 -3.210 3.007) 4.398 5.125 ( 0.000 3.210 3.007) 4.398 5.367 ( 0.000 -1.171 -8.837) 8.914 5.367 ( 0.000 1.171 -8.837) 8.914 5.688 ( 0.000 -4.248 -2.276) 4.819 5.688 ( 0.000 4.248 -2.276) 4.819 6.115 ( 0.000 -2.867 -7.329) 7.870 6.115 ( 0.000 2.867 -7.329) 7.870 6.474 ( 0.000 -0.290 3.664) 3.675 6.474 ( 0.000 0.290 3.664) 3.675 6.802 ( 0.000 -2.128 -5.792) 6.170 6.802 ( 0.000 2.128 -5.792) 6.170 7.162 ( 0.000 -2.158 -2.890) 3.607 7.162 ( 0.000 2.158 -2.890) 3.607 7.257 ( 0.000 -0.745 4.061) 4.129 7.257 ( 0.000 0.745 4.061) 4.129 7.568 ( 0.000 -0.311 -0.844) 0.900 7.568 ( 0.000 0.311 -0.844) 0.900 8.222 ( 0.000 -1.507 -0.300) 1.536 8.222 ( 0.000 1.507 -0.300) 1.536 8.405 ( 0.000 -1.538 0.634) 1.664 8.405 ( 0.000 1.538 0.634) 1.664 8.692 ( 0.000 -5.309 1.253) 5.455 8.692 ( 0.000 5.309 1.253) 5.455 8.995 ( 0.000 -2.085 0.966) 2.298 8.995 ( 0.000 2.085 0.966) 2.298 9.834 ( 0.000 -6.742 -0.597) 6.768 9.834 ( 0.000 6.742 -0.597) 6.768 9.988 ( 0.000 -8.025 -4.484) 9.193 9.988 ( 0.000 8.025 -4.484) 9.193 11.158 ( 0.000 -3.408 -0.527) 3.449 11.158 ( 0.000 3.408 -0.527) 3.449 11.243 ( 0.000 -3.267 -1.391) 3.551 11.243 ( 0.000 3.267 -1.391) 3.551 11.867 ( 0.000 -3.507 -3.512) 4.963 11.867 ( 0.000 3.507 -3.512) 4.963 12.216 ( 0.000 -0.075 -2.220) 2.222 12.216 ( 0.000 0.075 -2.220) 2.222 12.605 ( 0.000 -2.036 5.099) 5.491 12.605 ( 0.000 2.036 5.099) 5.491 13.408 ( 0.000 -2.684 1.557) 3.103 13.408 ( 0.000 2.684 1.557) 3.103 14.761 ( 0.000 -4.671 3.123) 5.619 14.761 ( 0.000 4.671 3.123) 5.619 15.230 ( 0.000 -2.962 1.299) 3.234 15.230 ( 0.000 2.962 1.299) 3.234 19.410 ( 0.000 -1.769 -0.507) 1.841 19.410 ( 0.000 1.769 -0.507) 1.841 19.459 ( 0.000 -6.541 -3.261) 7.309 19.459 ( 0.000 6.541 -3.261) 7.309 20.349 ( 0.000 -1.843 -1.894) 2.643 20.349 ( 0.000 1.843 -1.894) 2.643 20.913 ( 0.000 -0.528 -1.720) 1.799 20.913 ( 0.000 0.528 -1.720) 1.799 22.172 ( 0.000 -0.604 -0.125) 0.616 22.172 ( 0.000 0.604 -0.125) 0.616 22.648 ( 0.000 -0.700 -1.479) 1.636 22.648 ( 0.000 0.700 -1.479) 1.636 23.788 ( 0.000 -0.891 5.878) 5.945 23.788 ( 0.000 0.891 5.878) 5.945 23.919 ( 0.000 -3.580 1.087) 3.742 23.919 ( 0.000 3.580 1.087) 3.742 ======================= Grid point 202 (74/90) ======================= q-point: ( 0.25 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.450 ( -2.166 -5.277 3.759) 6.832 2.450 ( -2.166 5.278 3.759) 6.832 2.609 ( -1.576 -5.331 0.687) 5.601 2.609 ( -1.576 5.331 0.687) 5.601 2.784 ( -2.365 -5.434 1.553) 6.126 2.784 ( -2.365 5.434 1.553) 6.126 2.902 ( -9.659 -1.171 1.806) 9.896 2.902 ( -9.659 1.171 1.806) 9.896 3.525 ( 7.809 -3.573 -0.859) 8.631 3.525 ( 7.809 3.573 -0.859) 8.631 3.692 ( 1.910 -1.925 1.374) 3.040 3.692 ( 1.910 1.925 1.374) 3.040 3.933 ( 6.952 -10.596 2.047) 12.838 3.933 ( 6.952 10.596 2.047) 12.838 4.018 ( 1.101 -7.305 -1.802) 7.604 4.018 ( 1.101 7.305 -1.802) 7.604 4.293 ( -1.183 -10.452 3.433) 11.064 4.293 ( -1.183 10.452 3.433) 11.064 4.333 ( -2.358 -3.411 1.563) 4.431 4.333 ( -2.358 3.411 1.563) 4.431 4.961 ( 1.650 -1.804 -2.301) 3.358 4.961 ( 1.650 1.804 -2.301) 3.358 5.097 ( -2.562 -3.563 1.999) 4.822 5.097 ( -2.562 3.563 1.999) 4.822 5.404 ( 3.310 -1.336 -7.950) 8.714 5.404 ( 3.310 1.336 -7.950) 8.714 5.632 ( -4.785 -2.573 -3.905) 6.691 5.632 ( -4.785 2.573 -3.905) 6.691 6.169 ( 5.173 -1.562 -5.136) 7.455 6.169 ( 5.173 1.562 -5.136) 7.455 6.455 ( -3.154 -0.939 0.320) 3.307 6.455 ( -3.154 0.939 0.320) 3.307 6.857 ( 5.418 -4.098 -2.634) 7.286 6.857 ( 5.418 4.098 -2.634) 7.286 7.170 ( -3.661 -6.647 0.603) 7.613 7.170 ( -3.661 6.647 0.603) 7.613 7.237 ( 2.673 -2.699 0.396) 3.819 7.237 ( 2.673 2.699 0.396) 3.819 7.504 ( -5.341 -0.506 -1.066) 5.470 7.504 ( -5.341 0.506 -1.066) 5.470 8.249 ( 2.305 -2.445 -0.120) 3.362 8.249 ( 2.305 2.445 -0.120) 3.362 8.382 ( -2.117 -2.188 0.199) 3.051 8.382 ( -2.117 2.188 0.199) 3.051 8.738 ( 3.841 -4.546 1.458) 6.127 8.738 ( 3.841 4.546 1.458) 6.127 8.949 ( -3.848 -2.361 1.169) 4.663 8.949 ( -3.848 2.361 1.169) 4.663 9.859 ( 2.120 -7.206 -1.355) 7.633 9.859 ( 2.120 7.206 -1.355) 7.633 9.968 ( -1.739 -8.103 -4.120) 9.255 9.968 ( -1.739 8.103 -4.120) 9.255 11.154 ( -0.084 -2.994 -0.764) 3.091 11.154 ( -0.084 2.994 -0.764) 3.091 11.213 ( -2.208 -2.872 -1.261) 3.836 11.213 ( -2.208 2.872 -1.261) 3.836 11.928 ( 5.089 -2.934 -3.049) 6.618 11.928 ( 5.089 2.934 -3.049) 6.618 12.175 ( -3.707 -1.752 -2.172) 4.640 12.175 ( -3.707 1.752 -2.172) 4.640 12.715 ( 9.492 -3.059 4.459) 10.924 12.715 ( 9.492 3.059 4.459) 10.924 13.274 ( -10.970 -2.702 2.137) 11.498 13.274 ( -10.970 2.702 2.137) 11.498 14.853 ( 7.333 -4.403 2.748) 8.984 14.853 ( 7.333 4.403 2.748) 8.984 15.177 ( -4.682 -3.249 1.538) 5.903 15.177 ( -4.682 3.249 1.538) 5.903 19.412 ( 0.269 -2.904 -0.837) 3.034 19.412 ( 0.269 2.904 -0.837) 3.034 19.446 ( -0.990 -5.938 -2.742) 6.615 19.446 ( -0.990 5.938 -2.742) 6.615 20.434 ( 7.184 -2.230 -1.874) 7.752 20.434 ( 7.184 2.230 -1.874) 7.752 20.831 ( -7.001 -1.984 -1.655) 7.463 20.831 ( -7.001 1.984 -1.655) 7.463 22.223 ( 4.665 -0.729 -0.492) 4.747 22.223 ( 4.665 0.729 -0.492) 4.747 22.557 ( -7.366 -0.668 -1.390) 7.526 22.557 ( -7.366 0.668 -1.390) 7.526 23.831 ( 3.269 -1.473 5.010) 6.161 23.831 ( 3.269 1.473 5.010) 6.161 23.924 ( 0.001 -3.098 1.816) 3.591 23.924 ( 0.001 3.098 1.816) 3.591 ======================= Grid point 204 (75/90) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.492 ( -5.952 -3.149 -1.539) 6.907 2.492 ( 1.206 -1.194 -1.539) 2.290 2.492 ( -1.206 1.194 -1.539) 2.290 2.492 ( 5.952 3.149 -1.539) 6.907 2.779 ( -2.487 -6.897 4.292) 8.495 2.779 ( 2.469 -6.895 4.292) 8.489 2.779 ( -2.469 6.895 4.292) 8.489 2.779 ( 2.487 6.897 4.292) 8.495 3.670 ( -2.663 -5.686 -0.260) 6.284 3.670 ( 0.278 -5.529 -0.260) 5.542 3.670 ( -0.278 5.529 -0.260) 5.542 3.670 ( 2.663 5.686 -0.260) 6.284 4.034 ( -1.671 -12.503 4.565) 13.415 4.034 ( 1.633 -12.501 4.565) 13.409 4.034 ( -1.633 12.501 4.565) 13.409 4.034 ( 1.671 12.503 4.565) 13.415 4.284 ( -1.517 -8.185 -0.831) 8.365 4.284 ( 1.515 -8.184 -0.831) 8.365 4.284 ( -1.515 8.184 -0.831) 8.365 4.284 ( 1.517 8.185 -0.831) 8.365 5.022 ( -3.487 -3.381 -0.394) 4.874 5.022 ( 2.574 -3.170 -0.394) 4.103 5.022 ( -2.574 3.170 -0.394) 4.103 5.022 ( 3.487 3.381 -0.394) 4.874 5.507 ( -2.337 -9.251 -6.051) 11.298 5.507 ( -0.835 -9.186 -6.051) 11.032 5.507 ( 0.835 9.186 -6.051) 11.032 5.507 ( 2.337 9.251 -6.051) 11.298 6.324 ( -4.325 -6.451 -2.900) 8.291 6.324 ( -2.850 -6.243 -2.900) 7.450 6.324 ( 2.850 6.243 -2.900) 7.450 6.324 ( 4.325 6.451 -2.900) 8.291 7.020 ( -7.183 -7.421 1.090) 10.386 7.020 ( 2.353 -6.600 1.090) 7.091 7.020 ( -2.353 6.600 1.090) 7.091 7.020 ( 7.183 7.421 1.090) 10.386 7.361 ( -4.366 -3.513 -1.372) 5.770 7.361 ( -4.044 -3.416 -1.372) 5.469 7.361 ( 4.044 3.416 -1.372) 5.469 7.361 ( 4.366 3.513 -1.372) 5.770 8.316 ( -2.318 -5.727 -0.033) 6.178 8.316 ( 0.760 -5.621 -0.033) 5.672 8.316 ( -0.760 5.621 -0.033) 5.672 8.316 ( 2.318 5.727 -0.033) 6.178 8.844 ( -5.117 -3.424 1.455) 6.326 8.844 ( 2.243 -2.537 1.455) 3.686 8.844 ( -2.243 2.537 1.455) 3.686 8.844 ( 5.117 3.424 1.455) 6.326 9.916 ( -1.825 -13.116 -2.928) 13.562 9.916 ( 1.456 -13.104 -2.928) 13.506 9.916 ( -1.456 13.104 -2.928) 13.506 9.916 ( 1.825 13.116 -2.928) 13.562 11.168 ( -0.935 -4.858 -1.058) 5.059 11.168 ( 0.610 -4.845 -1.058) 4.996 11.168 ( -0.610 4.845 -1.058) 4.996 11.168 ( 0.935 4.858 -1.058) 5.059 12.061 ( -3.287 -8.120 -2.391) 9.080 12.061 ( -0.692 -7.959 -2.391) 8.340 12.061 ( 0.692 7.959 -2.391) 8.340 12.061 ( 3.287 8.120 -2.391) 9.080 12.985 ( -10.416 -7.865 3.269) 13.455 12.985 ( -5.748 -6.558 3.269) 9.313 12.985 ( 5.748 6.558 3.269) 9.313 12.985 ( 10.416 7.865 3.269) 13.455 15.033 ( -5.463 -8.625 2.101) 10.423 15.033 ( -0.113 -8.181 2.101) 8.447 15.033 ( 0.113 8.181 2.101) 8.447 15.033 ( 5.463 8.625 2.101) 10.423 19.424 ( -0.757 -4.894 -1.704) 5.237 19.424 ( 0.741 -4.893 -1.704) 5.234 19.424 ( -0.741 4.893 -1.704) 5.234 19.424 ( 0.757 4.894 -1.704) 5.237 20.633 ( -7.742 -5.838 -1.719) 9.848 20.633 ( -3.570 -4.720 -1.719) 6.163 20.633 ( 3.570 4.720 -1.719) 6.163 20.633 ( 7.742 5.838 -1.719) 9.848 22.372 ( -7.736 -1.363 -1.089) 7.930 22.372 ( -7.262 -0.287 -1.089) 7.349 22.372 ( 7.262 0.287 -1.089) 7.349 22.372 ( 7.736 1.363 -1.089) 7.930 23.900 ( -1.533 -4.354 3.358) 5.708 23.900 ( 0.587 -4.296 3.358) 5.484 23.900 ( -0.587 4.296 3.358) 5.484 23.900 ( 1.533 4.354 3.358) 5.708 ======================= Grid point 225 (76/90) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.230 ( 0.000 0.000 -6.432) 6.432 2.230 ( 0.000 0.000 6.432) 6.432 2.350 ( 0.000 0.000 -10.615) 10.615 2.350 ( 0.000 0.000 10.615) 10.615 2.425 ( 0.000 0.000 -13.817) 13.817 2.425 ( 0.000 0.000 13.817) 13.817 2.687 ( 0.000 0.000 -5.554) 5.554 2.687 ( 0.000 0.000 5.554) 5.554 2.986 ( 0.000 0.000 -6.431) 6.431 2.986 ( 0.000 0.000 6.431) 6.431 3.114 ( 0.000 0.000 -2.773) 2.773 3.114 ( 0.000 0.000 2.773) 2.773 3.735 ( 0.000 0.000 -0.561) 0.561 3.735 ( 0.000 0.000 0.561) 0.561 4.126 ( 0.000 0.000 -0.431) 0.431 4.126 ( 0.000 0.000 0.431) 0.431 4.425 ( 0.000 0.000 -7.495) 7.495 4.425 ( 0.000 0.000 7.495) 7.495 4.548 ( 0.000 0.000 -4.277) 4.277 4.548 ( 0.000 0.000 4.277) 4.277 4.697 ( 0.000 0.000 -2.089) 2.089 4.697 ( 0.000 0.000 2.089) 2.089 5.128 ( 0.000 0.000 -3.082) 3.082 5.128 ( 0.000 0.000 3.082) 3.082 5.423 ( 0.000 0.000 -19.792) 19.792 5.423 ( 0.000 0.000 19.792) 19.792 6.116 ( 0.000 0.000 -9.611) 9.611 6.116 ( 0.000 0.000 9.611) 9.611 6.179 ( 0.000 0.000 -7.405) 7.405 6.179 ( 0.000 0.000 7.405) 7.405 6.407 ( 0.000 0.000 -9.717) 9.717 6.407 ( 0.000 0.000 9.717) 9.717 6.448 ( 0.000 0.000 -3.240) 3.240 6.448 ( 0.000 0.000 3.240) 3.240 6.907 ( 0.000 0.000 -0.070) 0.070 6.907 ( 0.000 0.000 0.070) 0.070 7.023 ( 0.000 0.000 -3.382) 3.382 7.023 ( 0.000 0.000 3.382) 3.382 8.339 ( 0.000 0.000 -1.355) 1.355 8.339 ( 0.000 0.000 1.355) 1.355 8.427 ( 0.000 0.000 -2.481) 2.481 8.427 ( 0.000 0.000 2.481) 2.481 8.457 ( 0.000 0.000 -11.188) 11.188 8.457 ( 0.000 0.000 11.188) 11.188 8.800 ( 0.000 0.000 -2.640) 2.640 8.800 ( 0.000 0.000 2.640) 2.640 8.870 ( 0.000 0.000 -1.554) 1.554 8.870 ( 0.000 0.000 1.554) 1.554 9.272 ( 0.000 0.000 -3.228) 3.228 9.272 ( 0.000 0.000 3.228) 3.228 10.432 ( 0.000 0.000 -1.929) 1.929 10.432 ( 0.000 0.000 1.929) 1.929 10.917 ( 0.000 0.000 -0.202) 0.202 10.917 ( 0.000 0.000 0.202) 0.202 11.493 ( 0.000 0.000 -1.408) 1.408 11.493 ( 0.000 0.000 1.408) 1.408 11.810 ( 0.000 0.000 -5.781) 5.781 11.810 ( 0.000 0.000 5.781) 5.781 12.064 ( 0.000 0.000 -6.638) 6.638 12.064 ( 0.000 0.000 6.638) 6.638 12.457 ( 0.000 0.000 -5.597) 5.597 12.457 ( 0.000 0.000 5.597) 5.597 13.329 ( 0.000 0.000 -4.113) 4.113 13.329 ( 0.000 0.000 4.113) 4.113 14.831 ( 0.000 0.000 -11.981) 11.981 14.831 ( 0.000 0.000 11.981) 11.981 15.799 ( 0.000 0.000 -2.818) 2.818 15.799 ( 0.000 0.000 2.818) 2.818 18.673 ( 0.000 0.000 -0.522) 0.522 18.673 ( 0.000 0.000 0.522) 0.522 18.697 ( 0.000 0.000 -0.379) 0.379 18.697 ( 0.000 0.000 0.379) 0.379 20.588 ( 0.000 0.000 -1.589) 1.589 20.588 ( 0.000 0.000 1.589) 1.589 21.140 ( 0.000 0.000 -3.376) 3.376 21.140 ( 0.000 0.000 3.376) 3.376 22.156 ( 0.000 0.000 -1.393) 1.393 22.156 ( 0.000 0.000 1.393) 1.393 22.662 ( 0.000 0.000 -1.906) 1.906 22.662 ( 0.000 0.000 1.906) 1.906 23.922 ( 0.000 0.000 -2.177) 2.177 23.922 ( 0.000 0.000 2.177) 2.177 24.086 ( 0.000 0.000 -12.152) 12.152 24.086 ( 0.000 0.000 12.152) 12.152 ======================= Grid point 227 (77/90) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.212 ( -1.099 0.000 -5.137) 5.253 2.212 ( -1.099 0.000 5.137) 5.253 2.377 ( 1.702 0.000 -7.626) 7.814 2.377 ( 1.702 0.000 7.626) 7.814 2.456 ( 2.303 0.000 -10.207) 10.464 2.456 ( 2.303 0.000 10.207) 10.464 2.677 ( -0.721 0.000 -4.342) 4.402 2.677 ( -0.721 0.000 4.342) 4.402 2.702 ( -12.284 0.000 -0.806) 12.310 2.702 ( -12.284 0.000 0.806) 12.310 3.379 ( 10.360 0.000 -2.505) 10.658 3.379 ( 10.360 0.000 2.505) 10.658 3.777 ( 3.811 0.000 -1.664) 4.159 3.777 ( 3.811 0.000 1.664) 4.159 4.139 ( 0.877 0.000 -3.221) 3.339 4.139 ( 0.877 0.000 3.221) 3.339 4.459 ( 3.041 0.000 -9.356) 9.838 4.459 ( 3.041 0.000 9.356) 9.838 4.541 ( -0.744 0.000 -3.789) 3.861 4.541 ( -0.744 0.000 3.789) 3.861 4.653 ( -3.716 0.000 -4.956) 6.194 4.653 ( -3.716 0.000 4.956) 6.194 5.081 ( -3.045 0.000 -2.129) 3.715 5.081 ( -3.045 0.000 2.129) 3.715 5.424 ( -0.537 0.000 -16.256) 16.265 5.424 ( -0.537 0.000 16.257) 16.265 5.980 ( -7.298 0.000 -11.825) 13.896 5.980 ( -7.298 0.000 11.825) 13.896 6.215 ( 3.160 0.000 -7.084) 7.757 6.215 ( 3.160 0.000 7.084) 7.757 6.405 ( -3.613 0.000 -4.217) 5.554 6.405 ( -3.613 0.000 4.217) 5.554 6.536 ( 7.036 0.000 -4.749) 8.489 6.536 ( 7.036 0.000 4.749) 8.489 6.907 ( 0.022 0.000 -0.088) 0.091 6.907 ( 0.022 0.000 0.088) 0.091 7.038 ( 0.982 0.000 -2.474) 2.662 7.038 ( 0.982 0.000 2.474) 2.662 8.339 ( 0.743 0.000 -2.994) 3.085 8.339 ( 0.743 0.000 2.994) 3.085 8.425 ( -0.887 0.000 -3.091) 3.215 8.425 ( -0.887 0.000 3.091) 3.215 8.494 ( 2.954 0.000 -9.282) 9.740 8.494 ( 2.954 0.000 9.282) 9.740 8.768 ( -2.548 0.000 -3.720) 4.509 8.768 ( -2.548 0.000 3.720) 4.509 8.883 ( 0.931 0.000 -1.239) 1.549 8.883 ( 0.931 0.000 1.239) 1.549 9.274 ( 0.116 0.000 -2.249) 2.252 9.274 ( 0.116 0.000 2.249) 2.252 10.431 ( -0.097 0.000 -1.359) 1.362 10.431 ( -0.097 0.000 1.359) 1.362 10.964 ( 3.700 0.000 -0.238) 3.708 10.964 ( 3.700 0.000 0.238) 3.708 11.440 ( -4.054 0.000 -0.570) 4.094 11.440 ( -4.054 0.000 0.570) 4.094 11.830 ( 1.419 0.000 -3.685) 3.949 11.830 ( 1.419 0.000 3.685) 3.949 12.065 ( 0.069 0.000 -4.696) 4.697 12.065 ( 0.069 0.000 4.696) 4.697 12.457 ( 0.003 0.000 -3.964) 3.964 12.457 ( 0.003 0.000 3.964) 3.964 13.308 ( -1.544 0.000 -2.901) 3.286 13.308 ( -1.544 0.000 2.901) 3.286 14.849 ( 1.315 0.000 -8.746) 8.844 14.849 ( 1.315 0.000 8.746) 8.844 15.775 ( -1.721 0.000 -2.487) 3.025 15.775 ( -1.721 0.000 2.487) 3.025 18.673 ( -0.023 0.000 -0.364) 0.365 18.673 ( -0.023 0.000 0.364) 0.365 18.698 ( 0.025 0.000 -0.265) 0.266 18.698 ( 0.025 0.000 0.265) 0.266 20.655 ( 5.434 0.000 -2.927) 6.172 20.655 ( 5.434 0.000 2.927) 6.172 21.080 ( -4.991 0.000 -4.189) 6.516 21.080 ( -4.991 0.000 4.189) 6.516 22.190 ( 3.094 0.000 -1.651) 3.507 22.190 ( 3.094 0.000 1.651) 3.507 22.575 ( -6.823 0.000 -1.711) 7.034 22.575 ( -6.823 0.000 1.711) 7.034 23.888 ( -1.249 0.000 -0.859) 1.516 23.888 ( -1.249 0.000 0.859) 1.516 24.172 ( 4.947 0.000 -6.250) 7.970 24.172 ( 4.947 0.000 6.250) 7.970 ======================= Grid point 229 (78/90) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( 0.000 0.000 0.000) 0.000 2.198 ( 0.000 0.000 0.000) 0.000 2.399 ( 0.000 0.000 -0.000) 0.000 2.399 ( 0.000 0.000 -0.000) 0.000 2.498 ( 0.000 0.000 -0.000) 0.000 2.498 ( 0.000 0.000 0.000) 0.000 2.546 ( -0.000 0.000 -0.000) 0.000 2.546 ( -0.000 0.000 0.000) 0.000 2.666 ( 0.000 0.000 0.000) 0.000 2.666 ( 0.000 0.000 0.000) 0.000 3.489 ( -0.000 0.000 0.000) 0.000 3.489 ( 0.000 0.000 0.000) 0.000 3.846 ( 0.000 0.000 0.000) 0.000 3.846 ( -0.000 0.000 0.000) 0.000 4.151 ( -0.000 0.000 0.000) 0.000 4.151 ( 0.000 0.000 0.000) 0.000 4.524 ( 0.000 0.000 0.000) 0.000 4.524 ( 0.000 0.000 0.000) 0.000 4.550 ( -0.000 0.000 -0.000) 0.000 4.550 ( 0.000 0.000 -0.000) 0.000 4.553 ( -0.000 0.000 0.000) 0.000 4.553 ( 0.000 0.000 0.000) 0.000 5.043 ( -0.000 0.000 0.000) 0.000 5.043 ( 0.000 0.000 0.000) 0.000 5.407 ( -0.000 0.000 0.000) 0.000 5.407 ( 0.000 0.000 0.000) 0.000 5.893 ( -0.000 0.000 -0.000) 0.000 5.893 ( 0.000 0.000 0.000) 0.000 6.304 ( -0.000 0.000 0.000) 0.000 6.304 ( 0.000 0.000 0.000) 0.000 6.310 ( -0.000 0.000 -0.000) 0.000 6.310 ( 0.000 0.000 -0.000) 0.000 6.623 ( 0.000 0.000 0.000) 0.000 6.623 ( 0.000 0.000 0.000) 0.000 6.907 ( 0.000 0.000 0.000) 0.000 6.907 ( 0.000 0.000 0.000) 0.000 7.051 ( 0.000 0.000 0.000) 0.000 7.051 ( 0.000 0.000 0.000) 0.000 8.381 ( -0.000 0.000 -0.000) 0.000 8.381 ( -0.000 0.000 0.000) 0.000 8.381 ( 0.000 0.000 -0.000) 0.000 8.381 ( 0.000 0.000 0.000) 0.000 8.543 ( 0.000 0.000 -0.000) 0.000 8.543 ( 0.000 0.000 0.000) 0.000 8.725 ( 0.000 0.000 0.000) 0.000 8.725 ( 0.000 0.000 0.000) 0.000 8.896 ( 0.000 0.000 0.000) 0.000 8.896 ( 0.000 0.000 0.000) 0.000 9.276 ( 0.000 0.000 0.000) 0.000 9.276 ( 0.000 0.000 0.000) 0.000 10.430 ( -0.000 0.000 0.000) 0.000 10.430 ( 0.000 0.000 0.000) 0.000 11.024 ( 0.000 0.000 0.000) 0.000 11.024 ( 0.000 0.000 0.000) 0.000 11.376 ( 0.000 0.000 0.000) 0.000 11.376 ( 0.000 0.000 0.000) 0.000 11.850 ( 0.000 0.000 0.000) 0.000 11.850 ( 0.000 0.000 0.000) 0.000 12.066 ( -0.000 0.000 0.000) 0.000 12.066 ( 0.000 0.000 0.000) 0.000 12.457 ( -0.000 0.000 0.000) 0.000 12.457 ( 0.000 0.000 0.000) 0.000 13.286 ( 0.000 0.000 0.000) 0.000 13.286 ( 0.000 0.000 0.000) 0.000 14.868 ( -0.000 0.000 0.000) 0.000 14.868 ( 0.000 0.000 0.000) 0.000 15.750 ( -0.000 0.000 0.000) 0.000 15.750 ( 0.000 0.000 0.000) 0.000 18.673 ( 0.000 0.000 0.000) 0.000 18.673 ( 0.000 0.000 0.000) 0.000 18.698 ( 0.000 0.000 0.000) 0.000 18.698 ( 0.000 0.000 0.000) 0.000 20.753 ( 0.000 0.000 0.000) 0.000 20.753 ( 0.000 0.000 0.000) 0.000 20.988 ( -0.000 0.000 0.000) 0.000 20.988 ( 0.000 0.000 0.000) 0.000 22.255 ( 0.000 0.000 0.000) 0.000 22.255 ( -0.000 0.000 0.000) 0.000 22.458 ( 0.000 0.000 0.000) 0.000 22.458 ( 0.000 0.000 0.000) 0.000 23.878 ( -0.000 0.000 0.000) 0.000 23.878 ( 0.000 0.000 0.000) 0.000 24.234 ( 0.000 0.000 0.000) 0.000 24.234 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 235 (79/90) ======================= q-point: ( 0.00 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.310 ( 0.000 5.693 -4.510) 7.263 2.310 ( 0.000 5.693 4.510) 7.263 2.449 ( 0.000 6.438 -1.340) 6.576 2.449 ( 0.000 6.438 1.340) 6.576 2.521 ( 0.000 12.815 -1.469) 12.899 2.521 ( 0.000 12.815 1.469) 12.899 2.801 ( 0.000 8.984 -4.802) 10.187 2.801 ( 0.000 8.984 4.802) 10.187 3.016 ( 0.000 4.233 -5.933) 7.288 3.016 ( 0.000 4.233 5.933) 7.288 3.114 ( 0.000 1.299 -2.662) 2.962 3.114 ( 0.000 1.299 2.662) 2.962 3.695 ( 0.000 -3.756 -0.358) 3.773 3.695 ( 0.000 -3.756 0.358) 3.773 4.103 ( 0.000 -2.364 -0.691) 2.463 4.103 ( 0.000 -2.364 0.691) 2.463 4.353 ( 0.000 -4.572 -8.249) 9.431 4.353 ( 0.000 -4.572 8.249) 9.431 4.639 ( 0.000 7.235 -5.596) 9.147 4.639 ( 0.000 7.235 5.597) 9.147 4.729 ( 0.000 2.284 -2.061) 3.076 4.729 ( 0.000 2.284 2.061) 3.076 5.105 ( 0.000 -2.249 -2.862) 3.639 5.105 ( 0.000 -2.249 2.862) 3.639 5.417 ( 0.000 -0.831 -18.513) 18.532 5.417 ( 0.000 -0.831 18.513) 18.532 5.909 ( 0.000 -11.474 -0.885) 11.508 5.909 ( 0.000 -11.474 0.885) 11.508 6.298 ( 0.000 -4.014 -4.826) 6.277 6.298 ( 0.000 -4.014 4.826) 6.277 6.376 ( 0.000 6.377 -0.464) 6.394 6.376 ( 0.000 6.377 0.464) 6.394 6.493 ( 0.000 2.769 -1.674) 3.236 6.493 ( 0.000 2.769 1.674) 3.236 6.980 ( 0.000 6.505 -2.580) 6.998 6.980 ( 0.000 6.505 2.580) 6.998 7.059 ( 0.000 3.494 -0.175) 3.499 7.059 ( 0.000 3.494 0.175) 3.499 8.270 ( 0.000 -12.405 -0.791) 12.430 8.270 ( 0.000 -12.405 0.791) 12.430 8.304 ( 0.000 -3.358 -1.490) 3.674 8.304 ( 0.000 -3.358 1.490) 3.674 8.506 ( 0.000 2.401 -8.475) 8.808 8.506 ( 0.000 2.401 8.475) 8.808 8.773 ( 0.000 -5.413 -0.208) 5.417 8.773 ( 0.000 -5.413 0.208) 5.417 8.852 ( 0.000 2.088 -0.745) 2.217 8.852 ( 0.000 2.088 0.745) 2.217 9.355 ( 0.000 6.730 -2.900) 7.329 9.355 ( 0.000 6.730 2.900) 7.329 10.399 ( 0.000 -3.331 -0.292) 3.343 10.399 ( 0.000 -3.331 0.292) 3.343 10.942 ( 0.000 2.275 -0.128) 2.279 10.942 ( 0.000 2.275 0.128) 2.279 11.478 ( 0.000 -1.719 -1.278) 2.142 11.478 ( 0.000 -1.719 1.278) 2.142 11.798 ( 0.000 -0.733 -2.148) 2.270 11.798 ( 0.000 -0.733 2.148) 2.270 12.090 ( 0.000 2.303 -4.895) 5.410 12.090 ( 0.000 2.303 4.895) 5.410 12.492 ( 0.000 3.236 -3.182) 4.538 12.492 ( 0.000 3.236 3.182) 4.538 13.333 ( 0.000 0.520 -4.356) 4.387 13.333 ( 0.000 0.520 4.356) 4.387 14.824 ( 0.000 -0.601 -11.116) 11.132 14.824 ( 0.000 -0.601 11.116) 11.132 15.708 ( 0.000 -8.515 -3.481) 9.199 15.708 ( 0.000 -8.515 3.481) 9.199 18.775 ( 0.000 8.755 -0.431) 8.766 18.775 ( 0.000 8.755 0.431) 8.766 18.810 ( 0.000 11.696 -1.917) 11.852 18.810 ( 0.000 11.696 1.917) 11.852 20.555 ( 0.000 -3.202 -1.735) 3.642 20.555 ( 0.000 -3.202 1.735) 3.642 21.116 ( 0.000 -2.409 -3.013) 3.858 21.116 ( 0.000 -2.409 3.013) 3.858 22.159 ( 0.000 0.227 -1.317) 1.336 22.159 ( 0.000 0.227 1.317) 1.336 22.658 ( 0.000 -0.430 -1.742) 1.794 22.658 ( 0.000 -0.430 1.742) 1.794 23.910 ( 0.000 -1.094 -1.919) 2.209 23.910 ( 0.000 -1.094 1.919) 2.209 24.061 ( 0.000 -2.360 -10.969) 11.220 24.061 ( 0.000 -2.360 10.969) 11.220 ======================= Grid point 237 (80/90) ======================= q-point: ( 0.25 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.321 ( 1.231 6.394 -3.981) 7.632 2.321 ( 1.231 6.394 3.981) 7.632 2.458 ( -0.008 7.073 -6.092) 9.335 2.458 ( -0.008 7.073 6.092) 9.335 2.512 ( -0.431 8.426 -4.360) 9.497 2.512 ( -0.431 8.426 4.360) 9.497 2.711 ( -10.999 1.900 -1.277) 11.235 2.711 ( -10.999 1.900 1.277) 11.235 2.830 ( -0.242 13.989 -3.688) 14.469 2.830 ( -0.242 13.989 3.688) 14.469 3.376 ( 9.813 0.284 -2.207) 10.062 3.376 ( 9.813 0.284 2.207) 10.062 3.721 ( 2.388 -4.843 -1.724) 5.668 3.721 ( 2.388 -4.843 1.724) 5.668 4.123 ( 1.661 -1.746 -2.557) 3.513 4.123 ( 1.661 -1.746 2.557) 3.513 4.375 ( 1.634 -4.880 -7.024) 8.708 4.375 ( 1.634 -4.880 7.024) 8.708 4.643 ( 0.049 7.539 -5.981) 9.623 4.643 ( 0.049 7.539 5.981) 9.623 4.695 ( -2.506 2.786 -4.081) 5.541 4.695 ( -2.506 2.786 4.081) 5.541 5.074 ( -1.978 -0.670 -1.919) 2.836 5.074 ( -1.978 -0.670 1.919) 2.836 5.400 ( -1.772 -2.448 -14.403) 14.717 5.400 ( -1.772 -2.448 14.403) 14.717 5.871 ( -2.454 -8.045 -5.270) 9.925 5.871 ( -2.454 -8.045 5.270) 9.925 6.274 ( -0.074 0.319 -0.631) 0.711 6.274 ( -0.074 0.319 0.631) 0.711 6.389 ( -0.907 1.205 -2.122) 2.604 6.389 ( -0.907 1.205 2.122) 2.604 6.547 ( 3.806 2.188 -2.578) 5.091 6.547 ( 3.806 2.188 2.578) 5.091 6.992 ( 1.145 6.509 -3.290) 7.383 6.992 ( 1.145 6.509 3.290) 7.383 7.058 ( -0.253 2.617 -2.056) 3.338 7.058 ( -0.253 2.617 2.056) 3.338 8.246 ( -0.685 -10.730 -0.865) 10.787 8.246 ( -0.685 -10.730 0.865) 10.787 8.327 ( 0.380 -5.773 -3.360) 6.690 8.327 ( 0.380 -5.773 3.360) 6.690 8.530 ( 2.074 1.999 -7.299) 7.847 8.530 ( 2.074 1.999 7.299) 7.847 8.774 ( -0.140 -2.925 -3.633) 4.666 8.774 ( -0.140 -2.925 3.633) 4.666 8.836 ( -1.127 -0.062 -3.048) 3.251 8.836 ( -1.127 -0.062 3.048) 3.251 9.357 ( 0.145 6.713 -2.031) 7.015 9.357 ( 0.145 6.713 2.031) 7.015 10.407 ( 0.543 -2.647 -0.279) 2.716 10.407 ( 0.543 -2.647 0.279) 2.716 10.974 ( 2.546 1.033 -0.163) 2.752 10.974 ( 2.546 1.033 0.163) 2.752 11.426 ( -3.838 -1.504 -0.722) 4.185 11.426 ( -3.838 -1.504 0.722) 4.185 11.795 ( -0.074 -1.843 -1.523) 2.392 11.795 ( -0.074 -1.843 1.523) 2.392 12.151 ( 4.579 6.353 -4.258) 8.914 12.151 ( 4.579 6.353 4.258) 8.914 12.465 ( -2.271 1.310 -2.712) 3.772 12.465 ( -2.271 1.310 2.712) 3.772 13.306 ( -1.951 -0.145 -3.077) 3.646 13.306 ( -1.951 -0.145 3.077) 3.647 14.845 ( 1.490 -0.303 -8.109) 8.250 14.845 ( 1.490 -0.303 8.109) 8.250 15.687 ( -1.515 -8.292 -2.845) 8.897 15.687 ( -1.515 -8.292 2.845) 8.897 18.778 ( 0.231 8.607 -0.539) 8.627 18.778 ( 0.231 8.607 0.539) 8.627 18.806 ( -0.321 11.736 -1.537) 11.840 18.806 ( -0.321 11.736 1.537) 11.840 20.622 ( 5.424 -3.198 -2.850) 6.911 20.622 ( 5.424 -3.198 2.850) 6.911 21.055 ( -5.075 -2.538 -3.871) 6.870 21.055 ( -5.075 -2.538 3.871) 6.870 22.194 ( 3.240 0.397 -1.556) 3.616 22.194 ( 3.240 0.397 1.556) 3.616 22.570 ( -6.861 -0.454 -1.574) 7.054 22.570 ( -6.861 -0.454 1.574) 7.054 23.882 ( -0.989 -0.558 -0.740) 1.356 23.882 ( -0.989 -0.558 0.740) 1.356 24.141 ( 4.635 -2.963 -5.637) 7.877 24.141 ( 4.635 -2.963 5.637) 7.877 ======================= Grid point 239 (81/90) ======================= q-point: (-0.50 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.351 ( 0.000 10.020 0.000) 10.020 2.351 ( 0.000 10.020 0.000) 10.020 2.436 ( -0.000 2.614 -0.000) 2.614 2.436 ( 0.000 2.614 0.000) 2.614 2.520 ( 0.000 6.330 -0.000) 6.330 2.520 ( 0.000 6.330 0.000) 6.330 2.569 ( -0.000 2.924 0.000) 2.924 2.569 ( -0.000 2.924 0.000) 2.924 2.836 ( 0.000 15.495 0.000) 15.495 2.836 ( 0.000 15.495 0.000) 15.495 3.480 ( -0.000 -0.664 0.000) 0.664 3.480 ( 0.000 -0.664 0.000) 0.664 3.763 ( -0.000 -6.429 0.000) 6.429 3.763 ( -0.000 -6.429 0.000) 6.429 4.152 ( -0.000 -0.701 0.000) 0.701 4.152 ( 0.000 -0.701 0.000) 0.701 4.399 ( 0.000 -5.834 0.000) 5.834 4.399 ( 0.000 -5.834 0.000) 5.834 4.647 ( -0.000 8.925 -0.000) 8.925 4.647 ( -0.000 8.925 0.000) 8.925 4.650 ( 0.000 2.877 -0.000) 2.877 4.650 ( 0.000 2.877 0.000) 2.877 5.051 ( -0.000 0.827 0.000) 0.827 5.051 ( -0.000 0.827 0.000) 0.827 5.366 ( 0.000 -3.840 0.000) 3.840 5.366 ( 0.000 -3.840 0.000) 3.840 5.841 ( -0.000 -4.818 -0.000) 4.818 5.841 ( 0.000 -4.818 0.000) 4.818 6.288 ( 0.000 -2.401 0.000) 2.401 6.288 ( 0.000 -2.401 0.000) 2.401 6.362 ( 0.000 4.463 -0.000) 4.463 6.362 ( 0.000 4.463 -0.000) 4.463 6.596 ( 0.000 0.180 0.000) 0.180 6.596 ( 0.000 0.180 0.000) 0.180 7.017 ( 0.000 8.581 0.000) 8.581 7.017 ( 0.000 8.581 0.000) 8.581 7.047 ( 0.000 -0.147 0.000) 0.147 7.047 ( -0.000 -0.147 0.000) 0.147 8.244 ( -0.000 -12.317 0.000) 12.317 8.244 ( 0.000 -12.317 0.000) 12.317 8.322 ( -0.000 -4.774 0.000) 4.774 8.322 ( 0.000 -4.774 0.000) 4.774 8.565 ( 0.000 0.863 0.000) 0.863 8.565 ( 0.000 0.863 0.000) 0.863 8.766 ( 0.000 3.317 -0.000) 3.317 8.766 ( 0.000 3.317 0.000) 3.317 8.822 ( 0.000 -5.429 0.000) 5.429 8.822 ( 0.000 -5.429 0.000) 5.429 9.359 ( 0.000 6.701 0.000) 6.701 9.359 ( 0.000 6.701 0.000) 6.701 10.414 ( 0.000 -1.943 0.000) 1.943 10.414 ( 0.000 -1.943 0.000) 1.943 11.015 ( 0.000 -0.592 0.000) 0.592 11.015 ( 0.000 -0.592 0.000) 0.592 11.368 ( 0.000 -0.935 0.000) 0.935 11.368 ( 0.000 -0.935 0.000) 0.935 11.795 ( 0.000 -2.520 0.000) 2.520 11.795 ( 0.000 -2.520 0.000) 2.520 12.224 ( -0.000 12.751 0.000) 12.751 12.224 ( 0.000 12.751 0.000) 12.751 12.424 ( -0.000 -3.372 0.000) 3.372 12.424 ( 0.000 -3.372 0.000) 3.372 13.278 ( 0.000 -0.827 0.000) 0.827 13.278 ( 0.000 -0.827 0.000) 0.827 14.866 ( 0.000 -0.006 0.000) 0.006 14.866 ( 0.000 -0.006 0.000) 0.006 15.665 ( -0.000 -8.084 0.000) 8.084 15.665 ( 0.000 -8.084 0.000) 8.084 18.782 ( -0.000 8.174 -0.000) 8.174 18.782 ( 0.000 8.174 -0.000) 8.174 18.800 ( -0.000 12.064 0.000) 12.064 18.800 ( 0.000 12.064 0.000) 12.064 20.720 ( 0.000 -3.211 0.000) 3.211 20.720 ( 0.000 -3.211 0.000) 3.211 20.962 ( -0.000 -2.645 0.000) 2.645 20.962 ( 0.000 -2.645 0.000) 2.645 22.263 ( 0.000 0.817 0.000) 0.817 22.263 ( -0.000 0.817 0.000) 0.817 22.451 ( 0.000 -0.722 0.000) 0.722 22.451 ( 0.000 -0.722 0.000) 0.722 23.874 ( -0.000 -0.262 0.000) 0.262 23.874 ( 0.000 -0.262 0.000) 0.262 24.199 ( 0.000 -3.339 0.000) 3.339 24.199 ( 0.000 -3.339 0.000) 3.339 ======================= Grid point 245 (82/90) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.404 ( 0.000 4.466 -2.893) 5.321 2.404 ( 0.000 4.466 2.893) 5.321 2.613 ( 0.000 8.469 -5.280) 9.981 2.613 ( 0.000 8.469 5.280) 9.981 2.771 ( 0.000 6.664 -3.024) 7.319 2.771 ( 0.000 6.664 3.024) 7.319 2.900 ( 0.000 3.763 -4.587) 5.933 2.900 ( 0.000 3.763 4.587) 5.933 3.181 ( 0.000 10.956 -5.140) 12.101 3.181 ( 0.000 10.956 5.140) 12.101 3.293 ( 0.000 16.811 -3.310) 17.134 3.293 ( 0.000 16.811 3.310) 17.134 3.613 ( 0.000 -3.208 -1.313) 3.466 3.613 ( 0.000 -3.208 1.313) 3.466 4.036 ( 0.000 -4.278 -0.790) 4.350 4.036 ( 0.000 -4.278 0.790) 4.350 4.295 ( 0.000 -0.799 -10.896) 10.925 4.295 ( 0.000 -0.799 10.896) 10.925 4.684 ( 0.000 -3.785 -4.774) 6.092 4.684 ( 0.000 -3.785 4.774) 6.092 4.856 ( 0.000 9.521 -0.698) 9.547 4.856 ( 0.000 9.521 0.698) 9.547 5.057 ( 0.000 -1.217 -2.022) 2.360 5.057 ( 0.000 -1.217 2.022) 2.360 5.366 ( 0.000 -5.120 -12.282) 13.307 5.366 ( 0.000 -5.120 12.283) 13.307 5.730 ( 0.000 -5.749 -3.718) 6.846 5.730 ( 0.000 -5.749 3.718) 6.846 6.166 ( 0.000 -6.800 -4.890) 8.376 6.166 ( 0.000 -6.800 4.890) 8.376 6.503 ( 0.000 3.514 -4.146) 5.435 6.503 ( 0.000 3.514 4.146) 5.435 6.561 ( 0.000 5.004 -4.325) 6.614 6.561 ( 0.000 5.004 4.325) 6.614 7.117 ( 0.000 6.463 -6.565) 9.213 7.117 ( 0.000 6.463 6.565) 9.213 7.153 ( 0.000 5.424 -4.881) 7.297 7.153 ( 0.000 5.424 4.881) 7.297 7.966 ( 0.000 -17.198 -0.909) 17.222 7.966 ( 0.000 -17.198 0.909) 17.222 8.235 ( 0.000 -3.082 -0.376) 3.105 8.235 ( 0.000 -3.082 0.376) 3.105 8.544 ( 0.000 0.260 -4.520) 4.527 8.544 ( 0.000 0.260 4.520) 4.527 8.665 ( 0.000 -3.440 -4.209) 5.436 8.665 ( 0.000 -3.440 4.209) 5.436 8.914 ( 0.000 3.460 -2.423) 4.224 8.914 ( 0.000 3.460 2.423) 4.224 9.499 ( 0.000 7.746 -2.599) 8.171 9.499 ( 0.000 7.746 2.599) 8.171 10.298 ( 0.000 -7.044 -2.305) 7.412 10.298 ( 0.000 -7.044 2.305) 7.412 10.998 ( 0.000 3.419 -0.399) 3.443 10.998 ( 0.000 3.419 0.399) 3.443 11.419 ( 0.000 -4.280 -0.693) 4.336 11.419 ( 0.000 -4.280 0.693) 4.336 11.797 ( 0.000 0.735 -2.801) 2.896 11.797 ( 0.000 0.735 2.801) 2.896 12.141 ( 0.000 2.544 -2.234) 3.386 12.141 ( 0.000 2.544 2.234) 3.386 12.568 ( 0.000 3.923 -0.839) 4.012 12.568 ( 0.000 3.923 0.839) 4.012 13.355 ( 0.000 1.786 -4.422) 4.769 13.355 ( 0.000 1.786 4.422) 4.769 14.810 ( 0.000 -0.762 -8.619) 8.652 14.810 ( 0.000 -0.762 8.619) 8.652 15.505 ( 0.000 -10.881 -3.951) 11.576 15.505 ( 0.000 -10.881 3.951) 11.576 18.997 ( 0.000 12.999 -0.791) 13.024 18.997 ( 0.000 12.999 0.791) 13.024 19.097 ( 0.000 15.622 -3.688) 16.051 19.097 ( 0.000 15.622 3.688) 16.051 20.469 ( 0.000 -5.142 -2.011) 5.521 20.469 ( 0.000 -5.142 2.011) 5.521 21.047 ( 0.000 -4.532 -2.043) 4.972 21.047 ( 0.000 -4.532 2.043) 4.972 22.164 ( 0.000 0.282 -1.058) 1.095 22.164 ( 0.000 0.282 1.058) 1.095 22.647 ( 0.000 -0.571 -1.294) 1.415 22.647 ( 0.000 -0.571 1.294) 1.415 23.883 ( 0.000 -1.494 -1.253) 1.950 23.883 ( 0.000 -1.494 1.253) 1.950 24.003 ( 0.000 -3.140 -7.998) 8.592 24.003 ( 0.000 -3.140 7.998) 8.592 ======================= Grid point 247 (83/90) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.397 ( 0.023 2.814 -3.532) 4.516 2.397 ( 0.023 2.814 3.532) 4.516 2.571 ( -4.696 3.522 -5.157) 7.813 2.571 ( -4.696 3.522 5.157) 7.813 2.693 ( -3.070 5.549 -0.976) 6.417 2.693 ( -3.070 5.549 0.976) 6.417 2.853 ( -5.153 10.837 -4.577) 12.843 2.853 ( -5.153 10.837 4.577) 12.843 3.156 ( 3.567 16.638 -3.815) 17.438 3.156 ( 3.567 16.638 3.815) 17.438 3.443 ( 4.777 8.002 -0.788) 9.353 3.443 ( 4.777 8.002 0.788) 9.353 3.641 ( 2.860 -1.229 -1.667) 3.532 3.641 ( 2.860 -1.229 1.667) 3.532 4.071 ( 2.752 -3.313 -1.910) 4.712 4.071 ( 2.752 -3.313 1.910) 4.712 4.309 ( 0.905 -1.607 -8.033) 8.242 4.309 ( 0.905 -1.607 8.033) 8.242 4.659 ( -2.028 -4.551 -1.804) 5.299 4.659 ( -2.028 -4.551 1.804) 5.299 4.856 ( 0.490 10.224 -2.570) 10.554 4.856 ( 0.490 10.224 2.570) 10.554 5.062 ( 0.110 0.307 -1.988) 2.015 5.062 ( 0.110 0.307 1.988) 2.015 5.323 ( -3.177 -5.364 -8.883) 10.853 5.323 ( -3.177 -5.364 8.883) 10.853 5.727 ( -0.117 -5.837 -3.216) 6.665 5.727 ( -0.117 -5.837 3.216) 6.665 6.190 ( 1.906 -5.330 -2.826) 6.327 6.190 ( 1.906 -5.330 2.826) 6.327 6.467 ( -2.057 3.399 -3.531) 5.315 6.467 ( -2.057 3.399 3.531) 5.315 6.621 ( 3.576 5.079 -4.306) 7.558 6.621 ( 3.576 5.079 4.306) 7.558 7.089 ( -2.079 4.336 -5.989) 7.681 7.089 ( -2.079 4.336 5.989) 7.681 7.165 ( 1.029 6.248 -4.250) 7.626 7.165 ( 1.029 6.248 4.250) 7.626 7.951 ( -1.036 -17.432 -0.625) 17.474 7.951 ( -1.036 -17.432 0.625) 17.474 8.238 ( 0.111 -3.149 -1.904) 3.681 8.238 ( 0.111 -3.149 1.904) 3.681 8.546 ( 0.006 -1.677 -3.178) 3.594 8.546 ( 0.006 -1.677 3.178) 3.594 8.695 ( 2.739 -1.678 -4.756) 5.739 8.695 ( 2.739 -1.678 4.756) 5.739 8.884 ( -2.560 3.053 -2.890) 4.922 8.884 ( -2.560 3.053 2.890) 4.922 9.500 ( 0.049 7.646 -1.825) 7.861 9.500 ( 0.049 7.646 1.825) 7.861 10.314 ( 1.127 -7.053 -1.636) 7.328 10.314 ( 1.127 -7.053 1.636) 7.328 11.008 ( 0.717 2.494 -0.329) 2.616 11.008 ( 0.717 2.494 0.329) 2.616 11.375 ( -3.120 -3.773 -0.454) 4.917 11.375 ( -3.120 -3.773 0.454) 4.917 11.794 ( -0.004 1.844 -1.637) 2.466 11.794 ( -0.004 1.844 1.637) 2.466 12.228 ( 6.396 0.410 -1.141) 6.510 12.228 ( 6.396 0.410 1.141) 6.510 12.545 ( -1.979 6.950 -1.498) 7.380 12.545 ( -1.979 6.950 1.498) 7.380 13.303 ( -3.817 -0.176 -3.314) 5.058 13.303 ( -3.817 -0.176 3.314) 5.058 14.843 ( 2.369 0.276 -6.376) 6.808 14.843 ( 2.369 0.276 6.376) 6.808 15.486 ( -1.452 -11.097 -3.147) 11.626 15.486 ( -1.452 -11.097 3.147) 11.626 18.996 ( -0.056 12.812 -0.555) 12.824 18.996 ( -0.056 12.812 0.555) 12.824 19.095 ( -0.181 15.703 -2.570) 15.913 19.095 ( -0.181 15.703 2.570) 15.913 20.538 ( 5.555 -4.957 -2.639) 7.899 20.538 ( 5.555 -4.957 2.639) 7.899 20.981 ( -5.393 -4.834 -3.025) 7.849 20.981 ( -5.393 -4.834 3.025) 7.849 22.204 ( 3.655 0.567 -1.248) 3.904 22.204 ( 3.655 0.567 1.248) 3.904 22.559 ( -6.991 -0.619 -1.194) 7.119 22.559 ( -6.991 -0.619 1.194) 7.119 23.870 ( -0.223 -0.429 -0.435) 0.650 23.870 ( -0.223 -0.429 0.435) 0.650 24.066 ( 3.711 -4.340 -4.196) 7.087 24.066 ( 3.711 -4.340 4.196) 7.087 ======================= Grid point 249 (84/90) ======================= q-point: (-0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.423 ( 0.000 1.015 -0.000) 1.015 2.423 ( 0.000 1.015 0.000) 1.015 2.469 ( -0.000 0.863 0.000) 0.863 2.469 ( -0.000 0.863 0.000) 0.863 2.662 ( -0.000 5.435 0.000) 5.435 2.662 ( 0.000 5.435 0.000) 5.435 2.791 ( -0.000 13.319 -0.000) 13.319 2.791 ( 0.000 13.319 0.000) 13.319 3.213 ( -0.000 20.944 0.000) 20.944 3.213 ( 0.000 20.944 0.000) 20.944 3.482 ( 0.000 1.487 0.000) 1.487 3.482 ( 0.000 1.487 0.000) 1.487 3.686 ( 0.000 1.143 0.000) 1.143 3.686 ( -0.000 1.143 0.000) 1.143 4.117 ( -0.000 -2.376 0.000) 2.376 4.117 ( 0.000 -2.376 0.000) 2.376 4.318 ( -0.000 -2.456 0.000) 2.456 4.318 ( 0.000 -2.456 0.000) 2.456 4.629 ( 0.000 -4.934 0.000) 4.934 4.629 ( 0.000 -4.934 0.000) 4.934 4.868 ( 0.000 12.224 0.000) 12.224 4.868 ( 0.000 12.224 0.000) 12.224 5.061 ( -0.000 -0.428 0.000) 0.428 5.061 ( 0.000 -0.428 0.000) 0.428 5.276 ( 0.000 -4.542 0.000) 4.542 5.276 ( 0.000 -4.542 0.000) 4.542 5.726 ( 0.000 -6.337 0.000) 6.337 5.726 ( 0.000 -6.337 0.000) 6.337 6.221 ( 0.000 -3.140 0.000) 3.140 6.221 ( 0.000 -3.140 0.000) 3.140 6.437 ( 0.000 1.919 -0.000) 1.919 6.437 ( -0.000 1.919 0.000) 1.919 6.668 ( 0.000 6.527 0.000) 6.527 6.668 ( 0.000 6.527 0.000) 6.527 7.059 ( 0.000 1.605 0.000) 1.605 7.059 ( 0.000 1.605 0.000) 1.605 7.181 ( 0.000 7.212 0.000) 7.212 7.181 ( 0.000 7.212 0.000) 7.212 7.937 ( -0.000 -18.005 0.000) 18.005 7.937 ( 0.000 -18.005 0.000) 18.005 8.238 ( -0.000 -2.845 0.000) 2.845 8.238 ( 0.000 -2.845 0.000) 2.845 8.545 ( 0.000 -3.538 0.000) 3.538 8.545 ( 0.000 -3.538 0.000) 3.538 8.754 ( -0.000 -0.295 0.000) 0.295 8.754 ( 0.000 -0.295 0.000) 0.295 8.830 ( -0.000 2.810 0.000) 2.810 8.830 ( 0.000 2.810 0.000) 2.810 9.501 ( 0.000 7.543 0.000) 7.543 9.501 ( 0.000 7.543 0.000) 7.543 10.330 ( 0.000 -7.061 0.000) 7.061 10.330 ( 0.000 -7.061 0.000) 7.061 11.019 ( 0.000 1.336 0.000) 1.336 11.019 ( 0.000 1.336 0.000) 1.336 11.330 ( 0.000 -2.996 0.000) 2.996 11.330 ( 0.000 -2.996 0.000) 2.996 11.796 ( 0.000 2.701 0.000) 2.701 11.796 ( 0.000 2.701 0.000) 2.701 12.329 ( -0.000 -6.026 0.000) 6.026 12.329 ( 0.000 -6.026 0.000) 6.026 12.505 ( -0.000 14.913 0.000) 14.913 12.505 ( 0.000 14.913 0.000) 14.913 13.247 ( 0.000 -2.524 0.000) 2.524 13.247 ( 0.000 -2.524 0.000) 2.524 14.877 ( 0.000 1.374 0.000) 1.374 14.877 ( 0.000 1.374 0.000) 1.374 15.464 ( -0.000 -11.427 0.000) 11.427 15.464 ( 0.000 -11.427 0.000) 11.427 18.996 ( 0.000 12.625 -0.000) 12.625 18.996 ( 0.000 12.625 -0.000) 12.625 19.092 ( 0.000 15.788 0.000) 15.788 19.092 ( 0.000 15.788 0.000) 15.788 20.638 ( 0.000 -4.487 0.000) 4.487 20.638 ( 0.000 -4.487 0.000) 4.487 20.882 ( -0.000 -5.414 0.000) 5.414 20.882 ( 0.000 -5.414 0.000) 5.414 22.287 ( 0.000 1.521 0.000) 1.521 22.287 ( 0.000 1.521 0.000) 1.521 22.430 ( 0.000 -1.330 0.000) 1.330 22.430 ( 0.000 -1.330 0.000) 1.330 23.872 ( -0.000 0.153 0.000) 0.153 23.872 ( 0.000 0.153 0.000) 0.153 24.113 ( 0.000 -5.072 0.000) 5.072 24.113 ( 0.000 -5.072 0.000) 5.072 ======================= Grid point 255 (85/90) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.501 ( 0.000 5.332 -2.958) 6.097 2.501 ( 0.000 5.332 2.958) 6.097 2.716 ( 0.000 -0.904 -4.176) 4.273 2.716 ( 0.000 -0.904 4.176) 4.273 2.762 ( 0.000 -0.068 -2.680) 2.681 2.762 ( 0.000 -0.068 2.680) 2.681 3.036 ( 0.000 6.032 -2.389) 6.488 3.036 ( 0.000 6.032 2.389) 6.488 3.353 ( 0.000 3.861 -4.126) 5.651 3.353 ( 0.000 3.861 4.126) 5.651 3.568 ( 0.000 8.230 -3.629) 8.994 3.568 ( 0.000 8.230 3.629) 8.994 3.696 ( 0.000 12.462 -0.907) 12.495 3.696 ( 0.000 12.462 0.907) 12.495 3.953 ( 0.000 -3.194 -1.739) 3.637 3.953 ( 0.000 -3.194 1.739) 3.637 4.324 ( 0.000 3.190 -10.139) 10.629 4.324 ( 0.000 3.190 10.139) 10.629 4.547 ( 0.000 -9.087 -2.190) 9.348 4.547 ( 0.000 -9.087 2.190) 9.348 4.920 ( 0.000 -1.623 -0.966) 1.889 4.920 ( 0.000 -1.623 0.966) 1.889 5.164 ( 0.000 9.157 -1.303) 9.249 5.164 ( 0.000 9.157 1.303) 9.249 5.234 ( 0.000 -6.648 -6.682) 9.426 5.234 ( 0.000 -6.648 6.682) 9.426 5.676 ( 0.000 -0.691 -4.793) 4.842 5.676 ( 0.000 -0.691 4.793) 4.842 6.066 ( 0.000 -2.805 -2.714) 3.903 6.066 ( 0.000 -2.805 2.714) 3.903 6.529 ( 0.000 0.040 -0.176) 0.180 6.529 ( 0.000 0.040 0.176) 0.180 6.665 ( 0.000 4.863 -1.053) 4.976 6.665 ( 0.000 4.863 1.053) 4.976 7.188 ( 0.000 -1.310 -1.983) 2.376 7.188 ( 0.000 -1.310 1.983) 2.376 7.248 ( 0.000 4.545 -0.260) 4.552 7.248 ( 0.000 4.545 0.260) 4.552 7.661 ( 0.000 -11.388 -0.159) 11.389 7.661 ( 0.000 -11.388 0.159) 11.389 8.205 ( 0.000 0.203 -0.658) 0.689 8.205 ( 0.000 0.203 0.658) 0.689 8.476 ( 0.000 -5.177 -0.822) 5.242 8.476 ( 0.000 -5.177 0.822) 5.242 8.677 ( 0.000 2.415 -5.235) 5.765 8.677 ( 0.000 2.415 5.235) 5.765 8.976 ( 0.000 2.575 -2.038) 3.284 8.976 ( 0.000 2.575 2.038) 3.284 9.667 ( 0.000 9.488 -2.413) 9.790 9.667 ( 0.000 9.488 2.413) 9.790 10.122 ( 0.000 -10.560 -3.206) 11.036 10.122 ( 0.000 -10.560 3.206) 11.036 11.078 ( 0.000 4.562 -0.917) 4.653 11.078 ( 0.000 4.562 0.917) 4.653 11.318 ( 0.000 -5.600 -0.393) 5.614 11.318 ( 0.000 -5.600 0.393) 5.614 11.818 ( 0.000 1.093 -3.333) 3.507 11.818 ( 0.000 1.093 3.333) 3.508 12.181 ( 0.000 1.394 -0.432) 1.459 12.181 ( 0.000 1.394 0.432) 1.459 12.632 ( 0.000 2.346 -1.930) 3.038 12.632 ( 0.000 2.346 1.930) 3.038 13.398 ( 0.000 2.172 -2.940) 3.656 13.398 ( 0.000 2.172 2.940) 3.656 14.797 ( 0.000 -0.475 -4.753) 4.777 14.797 ( 0.000 -0.475 4.753) 4.777 15.317 ( 0.000 -7.348 -2.674) 7.820 15.317 ( 0.000 -7.348 2.674) 7.820 19.251 ( 0.000 11.737 -0.692) 11.757 19.251 ( 0.000 11.737 0.692) 11.757 19.359 ( 0.000 9.248 -3.345) 9.835 19.359 ( 0.000 9.248 3.345) 9.835 20.373 ( 0.000 -4.003 -1.714) 4.354 20.373 ( 0.000 -4.003 1.714) 4.354 20.950 ( 0.000 -4.643 -0.870) 4.724 20.950 ( 0.000 -4.643 0.870) 4.724 22.169 ( 0.000 0.169 -0.596) 0.620 22.169 ( 0.000 0.169 0.596) 0.620 22.638 ( 0.000 -0.377 -0.677) 0.775 22.638 ( 0.000 -0.377 0.677) 0.775 23.857 ( 0.000 -0.994 -0.494) 1.110 23.857 ( 0.000 -0.994 0.494) 1.110 23.949 ( 0.000 -2.111 -4.204) 4.704 23.949 ( 0.000 -2.111 4.204) 4.704 ======================= Grid point 257 (86/90) ======================= q-point: ( 0.25 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.455 ( -2.759 3.003 -4.196) 5.851 2.455 ( -2.759 3.003 4.196) 5.851 2.602 ( -6.654 0.249 -1.901) 6.925 2.602 ( -6.654 0.249 1.901) 6.925 2.771 ( -1.037 2.652 -3.761) 4.717 2.771 ( -1.037 2.652 3.761) 4.717 2.951 ( -5.524 -0.494 -1.430) 5.728 2.951 ( -5.524 -0.494 1.430) 5.728 3.414 ( 7.230 8.781 -4.013) 12.062 3.414 ( 7.230 8.781 4.013) 12.062 3.642 ( -0.492 9.109 -3.632) 9.819 3.642 ( -0.492 9.109 3.632) 9.819 3.752 ( 5.833 11.045 -2.905) 12.824 3.752 ( 5.833 11.045 2.905) 12.824 4.021 ( 5.608 -0.667 -2.265) 6.084 4.021 ( 5.608 -0.667 2.265) 6.084 4.308 ( -1.495 1.176 -8.558) 8.767 4.308 ( -1.495 1.176 8.558) 8.767 4.510 ( -2.726 -9.691 -0.895) 10.107 4.510 ( -2.726 -9.691 0.895) 10.107 4.939 ( 2.228 -0.993 -2.003) 3.156 4.939 ( 2.228 -0.993 2.003) 3.156 5.147 ( -3.860 1.805 -4.574) 6.251 5.147 ( -3.860 1.805 4.574) 6.251 5.235 ( 2.016 2.077 -4.031) 4.963 5.235 ( 2.016 2.077 4.031) 4.963 5.640 ( -2.713 -3.351 -3.251) 5.400 5.640 ( -2.713 -3.351 3.251) 5.400 6.121 ( 4.564 -1.231 -1.343) 4.914 6.121 ( 4.564 -1.231 1.343) 4.914 6.484 ( -3.799 -1.230 -1.707) 4.343 6.484 ( -3.799 -1.230 1.707) 4.343 6.739 ( 5.681 6.485 -3.207) 9.198 6.739 ( 5.681 6.485 3.207) 9.198 7.173 ( -3.960 2.915 -5.019) 7.026 7.173 ( -3.960 2.915 5.019) 7.026 7.240 ( 2.166 1.026 -2.660) 3.581 7.240 ( 2.166 1.026 2.660) 3.581 7.624 ( -2.936 -13.534 -0.133) 13.850 7.624 ( -2.936 -13.534 0.133) 13.850 8.217 ( 0.935 1.066 -1.336) 1.948 8.217 ( 0.935 1.066 1.336) 1.948 8.459 ( -1.287 -5.600 -1.087) 5.848 8.459 ( -1.287 -5.600 1.087) 5.848 8.722 ( 3.723 2.601 -4.351) 6.290 8.722 ( 3.723 2.601 4.351) 6.290 8.938 ( -3.251 2.143 -2.227) 4.486 8.938 ( -3.251 2.143 2.227) 4.486 9.667 ( -0.011 9.590 -1.723) 9.744 9.667 ( -0.011 9.590 1.723) 9.744 10.130 ( 0.570 -11.232 -2.301) 11.480 10.130 ( 0.570 -11.232 2.301) 11.480 11.074 ( -0.236 4.125 -0.653) 4.183 11.074 ( -0.236 4.125 0.653) 4.183 11.285 ( -2.279 -5.064 -0.284) 5.560 11.285 ( -2.279 -5.064 0.284) 5.560 11.854 ( 2.568 3.506 -2.266) 4.901 11.854 ( 2.568 3.506 2.266) 4.901 12.192 ( 0.434 -2.927 -0.806) 3.067 12.192 ( 0.434 -2.927 0.806) 3.067 12.691 ( 5.180 6.429 -2.618) 8.662 12.691 ( 5.180 6.429 2.618) 8.662 13.298 ( -7.755 -0.276 -2.603) 8.184 13.298 ( -7.755 -0.276 2.603) 8.184 14.860 ( 4.664 1.401 -3.862) 6.215 14.860 ( 4.664 1.401 3.862) 6.215 15.284 ( -2.638 -8.471 -2.442) 9.202 15.284 ( -2.638 -8.471 2.442) 9.202 19.248 ( -0.260 11.653 -0.459) 11.664 19.248 ( -0.260 11.653 0.459) 11.664 19.356 ( -0.167 9.156 -2.282) 9.437 19.356 ( -0.167 9.156 2.282) 9.437 20.449 ( 6.303 -3.406 -1.976) 7.432 20.449 ( 6.303 -3.406 1.976) 7.432 20.876 ( -6.185 -5.176 -1.811) 8.266 20.876 ( -6.185 -5.176 1.811) 8.266 22.214 ( 4.169 0.405 -0.708) 4.248 22.214 ( 4.169 0.405 0.708) 4.248 22.548 ( -7.183 -0.423 -0.642) 7.224 22.548 ( -7.183 -0.423 0.642) 7.224 23.870 ( 1.061 0.433 -0.399) 1.213 23.870 ( 1.061 0.433 0.399) 1.213 23.984 ( 2.223 -3.662 -2.535) 4.978 23.984 ( 2.223 -3.662 2.535) 4.978 ======================= Grid point 259 (87/90) ======================= q-point: (-0.50 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.447 ( 0.000 1.498 -0.000) 1.498 2.447 ( 0.000 1.498 0.000) 1.498 2.481 ( -0.000 0.345 0.000) 0.345 2.481 ( 0.000 0.345 0.000) 0.345 2.750 ( -0.000 3.465 0.000) 3.465 2.750 ( 0.000 3.465 0.000) 3.465 2.893 ( -0.000 -1.725 0.000) 1.725 2.893 ( 0.000 -1.725 0.000) 1.725 3.551 ( -0.000 5.293 0.000) 5.293 3.551 ( 0.000 5.293 0.000) 5.293 3.591 ( -0.000 14.381 -0.000) 14.381 3.591 ( 0.000 14.381 -0.000) 14.381 3.825 ( 0.000 10.425 0.000) 10.425 3.825 ( 0.000 10.425 0.000) 10.425 4.116 ( -0.000 4.624 0.000) 4.624 4.116 ( 0.000 4.624 0.000) 4.624 4.275 ( -0.000 -3.388 0.000) 3.388 4.275 ( 0.000 -3.388 0.000) 3.388 4.470 ( 0.000 -10.403 0.000) 10.403 4.470 ( 0.000 -10.403 0.000) 10.403 5.028 ( -5.434 -1.006 -4.209) 6.947 5.028 ( 5.025 -1.401 -3.892) 6.508 5.028 ( -5.025 -0.015 3.892) 6.356 5.028 ( 5.434 -0.409 4.209) 6.886 5.273 ( 0.000 7.002 0.000) 7.002 5.273 ( 0.000 7.002 0.000) 7.002 5.599 ( 0.000 -6.636 0.000) 6.636 5.599 ( 0.000 -6.636 0.000) 6.636 6.203 ( 0.000 1.956 0.000) 1.956 6.203 ( 0.000 1.956 0.000) 1.956 6.413 ( 0.000 -4.250 0.000) 4.250 6.413 ( 0.000 -4.250 0.000) 4.250 6.832 ( 0.000 9.832 0.000) 9.832 6.832 ( 0.000 9.832 0.000) 9.832 7.097 ( 0.000 1.115 0.000) 1.115 7.097 ( 0.000 1.115 0.000) 1.115 7.284 ( -0.000 3.232 0.000) 3.232 7.284 ( 0.000 3.232 0.000) 3.232 7.576 ( -0.000 -17.054 0.000) 17.054 7.576 ( 0.000 -17.054 0.000) 17.054 8.231 ( -0.000 2.248 0.000) 2.248 8.231 ( 0.000 2.248 0.000) 2.248 8.439 ( 0.000 -6.356 0.000) 6.356 8.439 ( 0.000 -6.356 0.000) 6.356 8.798 ( -0.000 3.589 0.000) 3.589 8.798 ( 0.000 3.589 0.000) 3.589 8.868 ( -0.000 0.891 0.000) 0.891 8.868 ( 0.000 0.891 0.000) 0.891 9.667 ( 0.000 9.686 -0.000) 9.686 9.667 ( 0.000 9.686 0.000) 9.686 10.138 ( 0.000 -11.918 0.000) 11.918 10.138 ( 0.000 -11.918 0.000) 11.918 11.071 ( 0.000 3.762 0.000) 3.762 11.071 ( 0.000 3.762 0.000) 3.762 11.253 ( 0.000 -4.594 0.000) 4.594 11.253 ( 0.000 -4.594 0.000) 4.594 11.891 ( -0.000 6.525 0.000) 6.525 11.891 ( 0.000 6.525 0.000) 6.525 12.193 ( -0.000 -7.611 0.000) 7.611 12.193 ( 0.000 -7.611 0.000) 7.611 12.788 ( -0.000 13.324 0.000) 13.324 12.788 ( 0.000 13.324 0.000) 13.324 13.169 ( 0.000 -5.670 0.000) 5.670 13.169 ( 0.000 -5.670 0.000) 5.670 14.931 ( 0.000 4.363 0.000) 4.363 14.931 ( 0.000 4.363 0.000) 4.363 15.240 ( -0.000 -10.780 0.000) 10.780 15.240 ( 0.000 -10.780 0.000) 10.780 19.244 ( 0.000 11.571 0.000) 11.571 19.244 ( 0.000 11.571 0.000) 11.571 19.354 ( -0.000 9.072 0.000) 9.072 19.354 ( 0.000 9.072 0.000) 9.072 20.573 ( 0.000 -1.164 0.000) 1.164 20.573 ( 0.000 -1.164 0.000) 1.164 20.753 ( -0.000 -7.361 0.000) 7.361 20.753 ( 0.000 -7.361 0.000) 7.361 22.322 ( -0.000 1.956 0.000) 1.956 22.322 ( 0.000 1.956 0.000) 1.956 22.399 ( -0.000 -1.782 0.000) 1.782 22.399 ( 0.000 -1.782 0.000) 1.782 23.886 ( -0.000 1.435 0.000) 1.435 23.886 ( 0.000 1.435 0.000) 1.435 24.012 ( 0.000 -4.795 0.000) 4.795 24.012 ( 0.000 -4.795 0.000) 4.795 ======================= Grid point 265 (88/90) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.591 ( 0.000 0.000 0.000) 0.000 2.591 ( 0.000 0.000 0.000) 0.000 2.643 ( 0.000 -0.000 -0.000) 0.000 2.643 ( 0.000 -0.000 0.000) 0.000 2.788 ( 0.000 -0.000 0.000) 0.000 2.788 ( 0.000 0.000 0.000) 0.000 3.086 ( 0.000 -0.000 0.000) 0.000 3.086 ( 0.000 0.000 0.000) 0.000 3.395 ( 0.000 0.000 0.000) 0.000 3.395 ( 0.000 0.000 0.000) 0.000 3.632 ( 0.000 -0.000 0.000) 0.000 3.632 ( 0.000 0.000 0.000) 0.000 3.880 ( 0.000 0.000 0.000) 0.000 3.880 ( 0.000 0.000 0.000) 0.000 3.921 ( 0.000 -0.000 0.000) 0.000 3.921 ( 0.000 0.000 0.000) 0.000 4.378 ( 0.000 0.000 0.000) 0.000 4.378 ( 0.000 0.000 0.000) 0.000 4.411 ( 0.000 -0.000 0.000) 0.000 4.411 ( 0.000 0.000 0.000) 0.000 4.897 ( 0.000 0.000 0.000) 0.000 4.897 ( 0.000 0.000 0.000) 0.000 5.154 ( 0.000 0.000 0.000) 0.000 5.154 ( 0.000 0.000 0.000) 0.000 5.272 ( 0.000 0.000 0.000) 0.000 5.272 ( 0.000 0.000 0.000) 0.000 5.673 ( 0.000 0.000 0.000) 0.000 5.673 ( 0.000 0.000 0.000) 0.000 6.047 ( 0.000 -0.000 0.000) 0.000 6.047 ( 0.000 0.000 0.000) 0.000 6.525 ( 0.000 0.000 0.000) 0.000 6.525 ( 0.000 0.000 0.000) 0.000 6.726 ( 0.000 0.000 0.000) 0.000 6.726 ( 0.000 0.000 0.000) 0.000 7.133 ( 0.000 -0.000 0.000) 0.000 7.133 ( 0.000 0.000 0.000) 0.000 7.300 ( 0.000 0.000 0.000) 0.000 7.300 ( 0.000 0.000 0.000) 0.000 7.556 ( 0.000 -0.000 0.000) 0.000 7.556 ( 0.000 0.000 0.000) 0.000 8.219 ( 0.000 -0.000 0.000) 0.000 8.219 ( 0.000 0.000 0.000) 0.000 8.410 ( 0.000 -0.000 0.000) 0.000 8.410 ( 0.000 0.000 0.000) 0.000 8.705 ( 0.000 0.000 0.000) 0.000 8.705 ( 0.000 0.000 0.000) 0.000 9.004 ( 0.000 0.000 0.000) 0.000 9.004 ( 0.000 0.000 0.000) 0.000 9.839 ( 0.000 -0.000 0.000) 0.000 9.839 ( 0.000 -0.000 0.000) 0.000 9.936 ( 0.000 0.000 0.000) 0.000 9.936 ( 0.000 0.000 0.000) 0.000 11.152 ( 0.000 -0.000 0.000) 0.000 11.152 ( 0.000 0.000 0.000) 0.000 11.232 ( 0.000 -0.000 0.000) 0.000 11.232 ( 0.000 0.000 0.000) 0.000 11.830 ( 0.000 0.000 0.000) 0.000 11.830 ( 0.000 0.000 0.000) 0.000 12.194 ( 0.000 -0.000 0.000) 0.000 12.194 ( 0.000 0.000 0.000) 0.000 12.655 ( 0.000 0.000 0.000) 0.000 12.655 ( 0.000 0.000 0.000) 0.000 13.423 ( 0.000 -0.000 0.000) 0.000 13.423 ( 0.000 0.000 0.000) 0.000 14.792 ( 0.000 0.000 0.000) 0.000 14.792 ( 0.000 0.000 0.000) 0.000 15.241 ( 0.000 0.000 0.000) 0.000 15.241 ( 0.000 0.000 0.000) 0.000 19.407 ( 0.000 0.000 0.000) 0.000 19.407 ( 0.000 0.000 0.000) 0.000 19.424 ( 0.000 0.000 0.000) 0.000 19.424 ( 0.000 0.000 0.000) 0.000 20.332 ( 0.000 0.000 0.000) 0.000 20.332 ( 0.000 0.000 0.000) 0.000 20.897 ( 0.000 0.000 0.000) 0.000 20.897 ( 0.000 0.000 0.000) 0.000 22.170 ( 0.000 0.000 0.000) 0.000 22.170 ( 0.000 0.000 0.000) 0.000 22.634 ( 0.000 0.000 0.000) 0.000 22.634 ( 0.000 0.000 0.000) 0.000 23.847 ( 0.000 0.000 0.000) 0.000 23.847 ( 0.000 -0.000 0.000) 0.000 23.927 ( 0.000 0.000 0.000) 0.000 23.927 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 269 (89/90) ======================= q-point: ( 0.25 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.493 ( -5.027 0.000 0.000) 5.027 2.493 ( -5.027 0.000 0.000) 5.027 2.598 ( -4.628 -0.000 0.000) 4.628 2.598 ( -4.628 0.000 0.000) 4.628 2.804 ( 0.579 -0.000 0.000) 0.579 2.804 ( 0.579 0.000 0.000) 0.579 2.923 ( -8.677 0.000 0.000) 8.677 2.923 ( -8.677 -0.000 0.000) 8.677 3.513 ( 7.966 0.000 0.000) 7.966 3.513 ( 7.966 0.000 0.000) 7.966 3.701 ( 1.309 0.000 0.000) 1.309 3.701 ( 1.309 0.000 0.000) 1.309 3.976 ( 8.347 0.000 0.000) 8.347 3.976 ( 8.347 0.000 0.000) 8.347 3.983 ( 5.222 -0.000 -0.000) 5.222 3.983 ( 5.222 -0.000 0.000) 5.222 4.350 ( -2.650 -0.000 -0.000) 2.650 4.350 ( -2.650 0.000 -0.000) 2.650 4.351 ( -4.804 -0.000 0.000) 4.804 4.351 ( -4.804 0.000 0.000) 4.804 4.920 ( 2.310 0.000 0.000) 2.310 4.920 ( 2.310 0.000 0.000) 2.310 5.109 ( -3.880 0.000 0.000) 3.880 5.109 ( -3.880 0.000 0.000) 3.880 5.324 ( 4.447 0.000 0.000) 4.447 5.324 ( 4.447 0.000 0.000) 4.447 5.599 ( -5.874 -0.000 0.000) 5.874 5.599 ( -5.874 0.000 0.000) 5.874 6.121 ( 6.339 0.000 0.000) 6.339 6.121 ( 6.339 0.000 0.000) 6.339 6.460 ( -5.639 0.000 0.000) 5.639 6.460 ( -5.639 0.000 0.000) 5.639 6.828 ( 8.149 -0.000 0.000) 8.149 6.828 ( 8.149 0.000 0.000) 8.149 7.163 ( 0.257 -0.000 0.000) 0.257 7.163 ( 0.257 0.000 0.000) 0.257 7.256 ( -1.538 0.000 0.000) 1.538 7.256 ( -1.538 0.000 0.000) 1.538 7.490 ( -5.504 -0.000 0.000) 5.504 7.490 ( -5.504 0.000 0.000) 5.504 8.247 ( 2.383 -0.000 0.000) 2.383 8.247 ( 2.383 0.000 0.000) 2.383 8.384 ( -2.341 -0.000 0.000) 2.341 8.384 ( -2.341 0.000 0.000) 2.341 8.752 ( 3.944 0.000 0.000) 3.944 8.752 ( 3.944 0.000 0.000) 3.944 8.960 ( -3.658 0.000 0.000) 3.658 8.960 ( -3.658 0.000 0.000) 3.658 9.854 ( 1.252 -0.000 0.000) 1.252 9.854 ( 1.252 0.000 0.000) 1.252 9.922 ( -1.178 0.000 0.000) 1.178 9.922 ( -1.178 0.000 0.000) 1.178 11.146 ( -0.216 -0.000 0.000) 0.216 11.146 ( -0.216 0.000 0.000) 0.216 11.203 ( -2.192 0.000 0.000) 2.192 11.203 ( -2.192 0.000 0.000) 2.192 11.898 ( 5.466 0.000 0.000) 5.466 11.898 ( 5.466 0.000 0.000) 5.466 12.154 ( -3.714 0.000 0.000) 3.714 12.154 ( -3.714 0.000 0.000) 3.714 12.760 ( 8.991 0.000 0.000) 8.991 12.760 ( 8.991 0.000 0.000) 8.991 13.295 ( -10.511 -0.000 0.000) 10.511 13.295 ( -10.511 0.000 0.000) 10.511 14.881 ( 7.025 0.000 0.000) 7.025 14.881 ( 7.025 0.000 0.000) 7.025 15.191 ( -4.454 0.000 0.000) 4.454 15.191 ( -4.454 0.000 0.000) 4.454 19.406 ( -0.068 0.000 0.000) 0.068 19.406 ( -0.068 0.000 0.000) 0.068 19.417 ( -0.527 -0.000 0.000) 0.527 19.417 ( -0.527 0.000 0.000) 0.527 20.416 ( 7.200 0.000 0.000) 7.200 20.416 ( 7.200 0.000 0.000) 7.200 20.815 ( -6.991 0.000 0.000) 6.991 20.815 ( -6.991 0.000 0.000) 6.991 22.218 ( 4.414 0.000 0.000) 4.414 22.218 ( 4.414 0.000 0.000) 4.414 22.544 ( -7.283 0.000 0.000) 7.283 22.544 ( -7.283 0.000 0.000) 7.283 23.880 ( 2.549 -0.000 0.000) 2.549 23.880 ( 2.549 0.000 0.000) 2.549 23.940 ( 0.636 0.000 0.000) 0.636 23.940 ( 0.636 0.000 0.000) 0.636 ======================= Grid point 273 (90/90) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.475 ( -3.376 -0.491 0.000) 3.412 2.475 ( -3.376 -0.491 0.000) 3.412 2.475 ( 3.376 0.491 0.000) 3.412 2.475 ( 3.376 0.491 0.000) 3.412 2.820 ( -0.290 -4.007 0.000) 4.017 2.820 ( -0.290 -4.007 0.000) 4.017 2.820 ( 0.290 4.007 0.000) 4.017 2.820 ( 0.290 4.007 0.000) 4.017 3.659 ( -2.173 -3.661 0.000) 4.258 3.659 ( -2.173 -3.661 0.000) 4.258 3.659 ( 2.173 3.661 0.000) 4.258 3.659 ( 2.173 3.661 0.000) 4.258 4.097 ( -0.104 -14.638 0.000) 14.639 4.097 ( -0.104 -14.638 0.000) 14.639 4.097 ( 0.104 14.638 0.000) 14.639 4.097 ( 0.104 14.638 0.000) 14.639 4.277 ( -0.132 -8.947 0.000) 8.948 4.277 ( -0.132 -8.947 0.000) 8.948 4.277 ( 0.132 8.947 0.000) 8.948 4.277 ( 0.132 8.947 0.000) 8.948 5.003 ( -4.796 -0.135 0.000) 4.798 5.003 ( -4.796 -0.135 0.000) 4.798 5.003 ( 4.796 0.135 0.000) 4.798 5.003 ( 4.796 0.135 0.000) 4.798 5.452 ( -2.435 -8.057 0.000) 8.417 5.452 ( -2.435 -8.057 0.000) 8.417 5.452 ( 2.435 8.057 0.000) 8.417 5.452 ( 2.435 8.057 0.000) 8.417 6.296 ( -4.617 -5.500 0.000) 7.181 6.296 ( -4.617 -5.500 0.000) 7.181 6.296 ( 4.617 5.500 0.000) 7.181 6.296 ( 4.617 5.500 0.000) 7.181 7.032 ( -4.268 -7.639 0.000) 8.750 7.032 ( -4.268 -7.639 0.000) 8.750 7.032 ( 4.268 7.639 0.000) 8.750 7.032 ( 4.268 7.639 0.000) 8.750 7.345 ( -3.615 -4.449 0.000) 5.732 7.345 ( -3.615 -4.449 0.000) 5.732 7.345 ( 3.615 4.449 0.000) 5.732 7.345 ( 3.615 4.449 0.000) 5.732 8.315 ( -1.000 -5.521 0.000) 5.611 8.315 ( -1.000 -5.521 0.000) 5.611 8.315 ( 1.000 5.521 0.000) 5.611 8.315 ( 1.000 5.521 0.000) 5.611 8.858 ( -4.085 -1.185 0.000) 4.254 8.858 ( -4.085 -1.185 0.000) 4.254 8.858 ( 4.085 1.185 0.000) 4.254 8.858 ( 4.085 1.185 0.000) 4.254 9.889 ( -0.118 -12.526 0.000) 12.526 9.889 ( -0.118 -12.526 0.000) 12.526 9.889 ( 0.118 12.526 0.000) 12.526 9.889 ( 0.118 12.526 0.000) 12.526 11.158 ( -0.215 -4.778 0.000) 4.783 11.158 ( -0.215 -4.778 0.000) 4.783 11.158 ( 0.215 4.778 0.000) 4.783 11.158 ( 0.215 4.778 0.000) 4.783 12.037 ( -2.386 -7.353 0.000) 7.730 12.037 ( -2.386 -7.353 0.000) 7.730 12.037 ( 2.386 7.353 0.000) 7.730 12.037 ( 2.386 7.353 0.000) 7.730 13.017 ( -7.443 -8.050 0.000) 10.963 13.017 ( -7.443 -8.050 0.000) 10.963 13.017 ( 7.443 8.050 0.000) 10.963 13.017 ( 7.443 8.050 0.000) 10.963 15.053 ( -3.277 -7.193 0.000) 7.904 15.053 ( -3.277 -7.193 0.000) 7.904 15.053 ( 3.277 7.193 0.000) 7.904 15.053 ( 3.277 7.193 0.000) 7.904 19.407 ( -0.008 -3.689 0.000) 3.689 19.407 ( -0.008 -3.689 0.000) 3.689 19.407 ( 0.008 3.689 0.000) 3.689 19.407 ( 0.008 3.689 0.000) 3.689 20.617 ( -6.762 -3.993 0.000) 7.853 20.617 ( -6.762 -3.993 0.000) 7.853 20.617 ( 6.762 3.993 0.000) 7.853 20.617 ( 6.762 3.993 0.000) 7.853 22.361 ( -7.243 -0.907 0.000) 7.299 22.361 ( -7.243 -0.907 0.000) 7.299 22.361 ( 7.243 0.907 0.000) 7.299 22.361 ( 7.243 0.907 0.000) 7.299 23.932 ( -0.364 -3.149 0.000) 3.170 23.932 ( -0.364 -3.149 0.000) 3.170 23.932 ( 0.364 3.149 0.000) 3.170 23.932 ( 0.364 3.149 0.000) 3.170 =================== 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 3/26880 10.0 1438.319 2994.829 3240.485 0.000 0.000 0.000 3/26880 20.0 517.126 585.575 583.954 0.000 0.000 0.000 3/26880 30.0 179.692 217.362 199.615 0.000 0.000 0.000 3/26880 40.0 88.139 111.898 96.607 0.000 0.000 0.000 3/26880 50.0 52.695 68.614 56.962 0.000 0.000 0.000 3/26880 60.0 35.530 46.941 38.053 0.000 0.000 0.000 3/26880 70.0 25.975 34.644 27.675 0.000 0.000 0.000 3/26880 80.0 20.115 27.016 21.377 0.000 0.000 0.000 3/26880 90.0 16.253 21.952 17.257 0.000 0.000 0.000 3/26880 100.0 13.563 18.405 14.400 0.000 0.000 0.000 3/26880 110.0 11.604 15.813 12.325 0.000 0.000 0.000 3/26880 120.0 10.126 13.851 10.763 0.000 0.000 0.000 3/26880 130.0 8.977 12.323 9.549 0.000 0.000 0.000 3/26880 140.0 8.063 11.104 8.582 0.000 0.000 0.000 3/26880 150.0 7.319 10.111 7.796 0.000 0.000 0.000 3/26880 160.0 6.704 9.289 7.145 0.000 0.000 0.000 3/26880 170.0 6.187 8.597 6.598 0.000 0.000 0.000 3/26880 180.0 5.748 8.007 6.132 0.000 0.000 0.000 3/26880 190.0 5.369 7.499 5.729 0.000 0.000 0.000 3/26880 200.0 5.039 7.056 5.379 0.000 0.000 0.000 3/26880 210.0 4.750 6.666 5.071 0.000 0.000 0.000 3/26880 220.0 4.494 6.321 4.799 0.000 0.000 0.000 3/26880 230.0 4.265 6.012 4.555 0.000 0.000 0.000 3/26880 240.0 4.060 5.735 4.336 0.000 0.000 0.000 3/26880 250.0 3.876 5.484 4.139 0.000 0.000 0.000 3/26880 260.0 3.708 5.257 3.960 0.000 0.000 0.000 3/26880 270.0 3.555 5.048 3.796 0.000 0.000 0.000 3/26880 280.0 3.415 4.857 3.646 0.000 0.000 0.000 3/26880 290.0 3.286 4.681 3.508 0.000 0.000 0.000 3/26880 300.0 3.167 4.518 3.381 0.000 0.000 0.000 3/26880 310.0 3.057 4.367 3.263 0.000 0.000 0.000 3/26880 320.0 2.954 4.226 3.153 0.000 0.000 0.000 3/26880 330.0 2.859 4.094 3.051 0.000 0.000 0.000 3/26880 340.0 2.770 3.971 2.955 0.000 0.000 0.000 3/26880 350.0 2.686 3.856 2.866 0.000 0.000 0.000 3/26880 360.0 2.608 3.747 2.781 0.000 0.000 0.000 3/26880 370.0 2.534 3.644 2.702 0.000 0.000 0.000 3/26880 380.0 2.465 3.548 2.628 0.000 0.000 0.000 3/26880 390.0 2.399 3.456 2.557 0.000 0.000 0.000 3/26880 400.0 2.337 3.369 2.491 0.000 0.000 0.000 3/26880 410.0 2.278 3.287 2.428 0.000 0.000 0.000 3/26880 420.0 2.222 3.209 2.368 0.000 0.000 0.000 3/26880 430.0 2.169 3.134 2.311 0.000 0.000 0.000 3/26880 440.0 2.119 3.063 2.257 0.000 0.000 0.000 3/26880 450.0 2.071 2.995 2.205 0.000 0.000 0.000 3/26880 460.0 2.025 2.930 2.156 0.000 0.000 0.000 3/26880 470.0 1.981 2.868 2.109 0.000 0.000 0.000 3/26880 480.0 1.939 2.809 2.064 0.000 0.000 0.000 3/26880 490.0 1.898 2.752 2.020 0.000 0.000 0.000 3/26880 500.0 1.860 2.697 1.979 0.000 0.000 0.000 3/26880 510.0 1.823 2.645 1.940 0.000 0.000 0.000 3/26880 520.0 1.787 2.594 1.902 0.000 0.000 0.000 3/26880 530.0 1.753 2.546 1.865 0.000 0.000 0.000 3/26880 540.0 1.720 2.499 1.830 0.000 0.000 0.000 3/26880 550.0 1.689 2.454 1.796 0.000 0.000 0.000 3/26880 560.0 1.658 2.410 1.763 0.000 0.000 0.000 3/26880 570.0 1.629 2.368 1.732 0.000 0.000 0.000 3/26880 580.0 1.600 2.328 1.702 0.000 0.000 0.000 3/26880 590.0 1.573 2.289 1.673 0.000 0.000 0.000 3/26880 600.0 1.547 2.251 1.644 0.000 0.000 0.000 3/26880 610.0 1.521 2.215 1.617 0.000 0.000 0.000 3/26880 620.0 1.496 2.179 1.591 0.000 0.000 0.000 3/26880 630.0 1.473 2.145 1.565 0.000 0.000 0.000 3/26880 640.0 1.449 2.112 1.540 0.000 0.000 0.000 3/26880 650.0 1.427 2.080 1.516 0.000 0.000 0.000 3/26880 660.0 1.405 2.048 1.493 0.000 0.000 0.000 3/26880 670.0 1.384 2.018 1.471 0.000 0.000 0.000 3/26880 680.0 1.364 1.989 1.449 0.000 0.000 0.000 3/26880 690.0 1.344 1.960 1.428 0.000 0.000 0.000 3/26880 700.0 1.325 1.932 1.407 0.000 0.000 0.000 3/26880 710.0 1.306 1.905 1.387 0.000 0.000 0.000 3/26880 720.0 1.288 1.879 1.368 0.000 0.000 0.000 3/26880 730.0 1.270 1.854 1.349 0.000 0.000 0.000 3/26880 740.0 1.253 1.829 1.331 0.000 0.000 0.000 3/26880 750.0 1.236 1.805 1.313 0.000 0.000 0.000 3/26880 760.0 1.220 1.781 1.295 0.000 0.000 0.000 3/26880 770.0 1.204 1.758 1.278 0.000 0.000 0.000 3/26880 780.0 1.189 1.736 1.262 0.000 0.000 0.000 3/26880 790.0 1.173 1.714 1.246 0.000 0.000 0.000 3/26880 800.0 1.159 1.693 1.230 0.000 0.000 0.000 3/26880 810.0 1.144 1.672 1.215 0.000 0.000 0.000 3/26880 820.0 1.130 1.652 1.200 0.000 0.000 0.000 3/26880 830.0 1.117 1.632 1.186 0.000 0.000 0.000 3/26880 840.0 1.104 1.613 1.171 0.000 0.000 0.000 3/26880 850.0 1.091 1.594 1.157 0.000 0.000 0.000 3/26880 860.0 1.078 1.576 1.144 0.000 0.000 0.000 3/26880 870.0 1.065 1.558 1.131 0.000 0.000 0.000 3/26880 880.0 1.053 1.540 1.118 0.000 0.000 0.000 3/26880 890.0 1.041 1.523 1.105 0.000 0.000 0.000 3/26880 900.0 1.030 1.506 1.093 0.000 0.000 0.000 3/26880 910.0 1.019 1.490 1.081 0.000 0.000 0.000 3/26880 920.0 1.008 1.474 1.069 0.000 0.000 0.000 3/26880 930.0 0.997 1.458 1.058 0.000 0.000 0.000 3/26880 940.0 0.986 1.443 1.046 0.000 0.000 0.000 3/26880 950.0 0.976 1.428 1.035 0.000 0.000 0.000 3/26880 960.0 0.966 1.413 1.024 0.000 0.000 0.000 3/26880 970.0 0.956 1.398 1.014 0.000 0.000 0.000 3/26880 980.0 0.946 1.384 1.003 0.000 0.000 0.000 3/26880 990.0 0.936 1.370 0.993 0.000 0.000 0.000 3/26880 1000.0 0.927 1.357 0.983 0.000 0.000 0.000 3/26880 Thermal conductivity related properties were written into "kappa-m4810.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:52:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|