----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 03:51:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [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 10.750349259999998 0.000000000000000 0.000000000000000 b 0.000000000000000 6.077889299999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.002231240000000 Atomic positions (fractional): *1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 2 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 3 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 4 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 *5 O 0.66555103228891 0.53079563938824 0.77132417665481 15.999 6 O 0.33444896771109 0.46920436061176 0.22867582334519 15.999 7 O 0.16555103228891 0.53079563938824 0.72867582334519 15.999 8 O 0.66555103228891 0.96920436061176 0.77132417665481 15.999 9 O 0.83444896771109 0.03079563938824 0.27132417665481 15.999 *10 O 0.90724270534035 0.25000000000000 0.78783408454941 15.999 11 O 0.83444896771109 0.46920436061176 0.27132417665481 15.999 12 O 0.33444896771109 0.03079563938824 0.22867582334519 15.999 13 O 0.09275729465965 0.75000000000000 0.21216591545059 15.999 14 O 0.40724270534035 0.25000000000000 0.71216591545059 15.999 *15 O 0.43970508480448 0.75000000000000 0.78652834041725 15.999 16 O 0.59275729465965 0.75000000000000 0.28783408454941 15.999 17 O 0.93970508480448 0.75000000000000 0.71347165958275 15.999 18 O 0.06029491519553 0.25000000000000 0.28652834041725 15.999 19 O 0.56029491519552 0.25000000000000 0.21347165958275 15.999 20 O 0.16555103228891 0.96920436061176 0.72867582334519 15.999 *21 Ge 0.08598139207490 0.75000000000000 0.55840562847678 72.640 22 Ge 0.58598139207490 0.75000000000000 0.94159437152322 72.640 23 Ge 0.91401860792510 0.25000000000000 0.44159437152322 72.640 24 Ge 0.41401860792510 0.25000000000000 0.05840562847678 72.640 *25 In 0.27154981086695 0.75000000000000 0.00757901139383 114.818 26 In 0.77154981086695 0.75000000000000 0.49242098860617 114.818 27 In 0.72845018913305 0.25000000000000 0.99242098860617 114.818 28 In 0.22845018913305 0.25000000000000 0.50757901139383 114.818 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.750349259999998 0.000000000000000 0.000000000000000 b 0.000000000000000 6.077889299999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.002231240000000 Atomic positions (fractional): *1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 1 2 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 > 2 3 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 > 3 4 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 4 *5 O 0.66555103228891 0.53079563938824 0.77132417665481 15.999 > 5 6 O 0.33444896771109 0.46920436061176 0.22867582334519 15.999 > 6 7 O 0.16555103228891 0.53079563938824 0.72867582334519 15.999 > 7 8 O 0.66555103228891 0.96920436061176 0.77132417665481 15.999 > 8 9 O 0.83444896771109 0.03079563938824 0.27132417665481 15.999 > 9 *10 O 0.90724270534035 0.25000000000000 0.78783408454941 15.999 > 10 11 O 0.83444896771109 0.46920436061176 0.27132417665481 15.999 > 11 12 O 0.33444896771109 0.03079563938824 0.22867582334519 15.999 > 12 13 O 0.09275729465965 0.75000000000000 0.21216591545059 15.999 > 13 14 O 0.40724270534035 0.25000000000000 0.71216591545059 15.999 > 14 *15 O 0.43970508480448 0.75000000000000 0.78652834041725 15.999 > 15 16 O 0.59275729465965 0.75000000000000 0.28783408454941 15.999 > 16 17 O 0.93970508480448 0.75000000000000 0.71347165958275 15.999 > 17 18 O 0.06029491519553 0.25000000000000 0.28652834041725 15.999 > 18 19 O 0.56029491519552 0.25000000000000 0.21347165958275 15.999 > 19 20 O 0.16555103228891 0.96920436061176 0.72867582334519 15.999 > 20 *21 Ge 0.08598139207490 0.75000000000000 0.55840562847678 72.640 > 21 22 Ge 0.58598139207490 0.75000000000000 0.94159437152322 72.640 > 22 23 Ge 0.91401860792510 0.25000000000000 0.44159437152322 72.640 > 23 24 Ge 0.41401860792510 0.25000000000000 0.05840562847678 72.640 > 24 *25 In 0.27154981086695 0.75000000000000 0.00757901139383 114.818 > 25 26 In 0.77154981086695 0.75000000000000 0.49242098860617 114.818 > 26 27 In 0.72845018913305 0.25000000000000 0.99242098860617 114.818 > 27 28 In 0.22845018913305 0.25000000000000 0.50757901139383 114.818 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.750349259999998 0.000000000000000 0.000000000000000 b 0.000000000000000 12.155778599999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.004462480000001 Atomic positions (fractional): *1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 1 2 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 > 1 3 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 1 4 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 > 1 5 Li 0.50000000000000 0.00000000000000 0.25000000000000 6.941 > 2 6 Li 0.50000000000000 0.50000000000000 0.25000000000000 6.941 > 2 7 Li 0.50000000000000 0.00000000000000 0.75000000000000 6.941 > 2 8 Li 0.50000000000000 0.50000000000000 0.75000000000000 6.941 > 2 9 Li 0.00000000000000 0.25000000000000 0.00000000000000 6.941 > 3 10 Li 0.00000000000000 0.75000000000000 0.00000000000000 6.941 > 3 11 Li 0.00000000000000 0.25000000000000 0.50000000000000 6.941 > 3 12 Li 0.00000000000000 0.75000000000000 0.50000000000000 6.941 > 3 13 Li 0.50000000000000 0.25000000000000 0.25000000000000 6.941 > 4 14 Li 0.50000000000000 0.75000000000000 0.25000000000000 6.941 > 4 15 Li 0.50000000000000 0.25000000000000 0.75000000000000 6.941 > 4 16 Li 0.50000000000000 0.75000000000000 0.75000000000000 6.941 > 4 *17 O 0.66555103228891 0.26539781969412 0.38566208832740 15.999 > 5 18 O 0.66555103228891 0.76539781969412 0.38566208832740 15.999 > 5 19 O 0.66555103228891 0.26539781969412 0.88566208832740 15.999 > 5 20 O 0.66555103228891 0.76539781969412 0.88566208832740 15.999 > 5 21 O 0.33444896771109 0.23460218030588 0.11433791167260 15.999 > 6 22 O 0.33444896771109 0.73460218030588 0.11433791167260 15.999 > 6 23 O 0.33444896771109 0.23460218030588 0.61433791167260 15.999 > 6 24 O 0.33444896771109 0.73460218030588 0.61433791167260 15.999 > 6 25 O 0.16555103228891 0.26539781969412 0.36433791167260 15.999 > 7 26 O 0.16555103228891 0.76539781969412 0.36433791167260 15.999 > 7 27 O 0.16555103228891 0.26539781969412 0.86433791167260 15.999 > 7 28 O 0.16555103228891 0.76539781969412 0.86433791167260 15.999 > 7 29 O 0.66555103228891 0.48460218030588 0.38566208832740 15.999 > 8 30 O 0.66555103228891 0.98460218030588 0.38566208832740 15.999 > 8 31 O 0.66555103228891 0.48460218030588 0.88566208832740 15.999 > 8 32 O 0.66555103228891 0.98460218030588 0.88566208832740 15.999 > 8 33 O 0.83444896771109 0.01539781969412 0.13566208832740 15.999 > 9 34 O 0.83444896771109 0.51539781969412 0.13566208832740 15.999 > 9 35 O 0.83444896771109 0.01539781969412 0.63566208832740 15.999 > 9 36 O 0.83444896771109 0.51539781969412 0.63566208832740 15.999 > 9 *37 O 0.90724270534035 0.12500000000000 0.39391704227471 15.999 > 10 38 O 0.90724270534035 0.62500000000000 0.39391704227471 15.999 > 10 39 O 0.90724270534035 0.12500000000000 0.89391704227471 15.999 > 10 40 O 0.90724270534035 0.62500000000000 0.89391704227471 15.999 > 10 41 O 0.83444896771109 0.23460218030588 0.13566208832740 15.999 > 11 42 O 0.83444896771109 0.73460218030588 0.13566208832740 15.999 > 11 43 O 0.83444896771109 0.23460218030588 0.63566208832740 15.999 > 11 44 O 0.83444896771109 0.73460218030588 0.63566208832740 15.999 > 11 45 O 0.33444896771109 0.01539781969412 0.11433791167260 15.999 > 12 46 O 0.33444896771109 0.51539781969412 0.11433791167260 15.999 > 12 47 O 0.33444896771109 0.01539781969412 0.61433791167260 15.999 > 12 48 O 0.33444896771109 0.51539781969412 0.61433791167260 15.999 > 12 49 O 0.09275729465965 0.37500000000000 0.10608295772529 15.999 > 13 50 O 0.09275729465965 0.87500000000000 0.10608295772529 15.999 > 13 51 O 0.09275729465965 0.37500000000000 0.60608295772529 15.999 > 13 52 O 0.09275729465965 0.87500000000000 0.60608295772529 15.999 > 13 53 O 0.40724270534035 0.12500000000000 0.35608295772529 15.999 > 14 54 O 0.40724270534035 0.62500000000000 0.35608295772529 15.999 > 14 55 O 0.40724270534035 0.12500000000000 0.85608295772529 15.999 > 14 56 O 0.40724270534035 0.62500000000000 0.85608295772529 15.999 > 14 *57 O 0.43970508480448 0.37500000000000 0.39326417020862 15.999 > 15 58 O 0.43970508480448 0.87500000000000 0.39326417020862 15.999 > 15 59 O 0.43970508480448 0.37500000000000 0.89326417020862 15.999 > 15 60 O 0.43970508480448 0.87500000000000 0.89326417020862 15.999 > 15 61 O 0.59275729465965 0.37500000000000 0.14391704227471 15.999 > 16 62 O 0.59275729465965 0.87500000000000 0.14391704227471 15.999 > 16 63 O 0.59275729465965 0.37500000000000 0.64391704227471 15.999 > 16 64 O 0.59275729465965 0.87500000000000 0.64391704227471 15.999 > 16 65 O 0.93970508480448 0.37500000000000 0.35673582979138 15.999 > 17 66 O 0.93970508480448 0.87500000000000 0.35673582979138 15.999 > 17 67 O 0.93970508480448 0.37500000000000 0.85673582979138 15.999 > 17 68 O 0.93970508480448 0.87500000000000 0.85673582979138 15.999 > 17 69 O 0.06029491519553 0.12500000000000 0.14326417020862 15.999 > 18 70 O 0.06029491519553 0.62500000000000 0.14326417020862 15.999 > 18 71 O 0.06029491519553 0.12500000000000 0.64326417020862 15.999 > 18 72 O 0.06029491519553 0.62500000000000 0.64326417020862 15.999 > 18 73 O 0.56029491519552 0.12500000000000 0.10673582979138 15.999 > 19 74 O 0.56029491519552 0.62500000000000 0.10673582979138 15.999 > 19 75 O 0.56029491519552 0.12500000000000 0.60673582979138 15.999 > 19 76 O 0.56029491519552 0.62500000000000 0.60673582979138 15.999 > 19 77 O 0.16555103228891 0.48460218030588 0.36433791167260 15.999 > 20 78 O 0.16555103228891 0.98460218030588 0.36433791167260 15.999 > 20 79 O 0.16555103228891 0.48460218030588 0.86433791167260 15.999 > 20 80 O 0.16555103228891 0.98460218030588 0.86433791167260 15.999 > 20 *81 Ge 0.08598139207490 0.37500000000000 0.27920281423839 72.640 > 21 82 Ge 0.08598139207490 0.87500000000000 0.27920281423839 72.640 > 21 83 Ge 0.08598139207490 0.37500000000000 0.77920281423839 72.640 > 21 84 Ge 0.08598139207490 0.87500000000000 0.77920281423839 72.640 > 21 85 Ge 0.58598139207490 0.37500000000000 0.47079718576161 72.640 > 22 86 Ge 0.58598139207490 0.87500000000000 0.47079718576161 72.640 > 22 87 Ge 0.58598139207490 0.37500000000000 0.97079718576161 72.640 > 22 88 Ge 0.58598139207490 0.87500000000000 0.97079718576161 72.640 > 22 89 Ge 0.91401860792510 0.12500000000000 0.22079718576161 72.640 > 23 90 Ge 0.91401860792510 0.62500000000000 0.22079718576161 72.640 > 23 91 Ge 0.91401860792510 0.12500000000000 0.72079718576161 72.640 > 23 92 Ge 0.91401860792510 0.62500000000000 0.72079718576161 72.640 > 23 93 Ge 0.41401860792510 0.12500000000000 0.02920281423839 72.640 > 24 94 Ge 0.41401860792510 0.62500000000000 0.02920281423839 72.640 > 24 95 Ge 0.41401860792510 0.12500000000000 0.52920281423839 72.640 > 24 96 Ge 0.41401860792510 0.62500000000000 0.52920281423839 72.640 > 24 *97 In 0.27154981086695 0.37500000000000 0.00378950569692 114.818 > 25 98 In 0.27154981086695 0.87500000000000 0.00378950569692 114.818 > 25 99 In 0.27154981086695 0.37500000000000 0.50378950569692 114.818 > 25 100 In 0.27154981086695 0.87500000000000 0.50378950569692 114.818 > 25 101 In 0.77154981086695 0.37500000000000 0.24621049430308 114.818 > 26 102 In 0.77154981086695 0.87500000000000 0.24621049430308 114.818 > 26 103 In 0.77154981086695 0.37500000000000 0.74621049430308 114.818 > 26 104 In 0.77154981086695 0.87500000000000 0.74621049430308 114.818 > 26 105 In 0.72845018913305 0.12500000000000 0.49621049430308 114.818 > 27 106 In 0.72845018913305 0.62500000000000 0.49621049430308 114.818 > 27 107 In 0.72845018913305 0.12500000000000 0.99621049430308 114.818 > 27 108 In 0.72845018913305 0.62500000000000 0.99621049430308 114.818 > 27 109 In 0.22845018913305 0.12500000000000 0.25378950569692 114.818 > 28 110 In 0.22845018913305 0.62500000000000 0.25378950569692 114.818 > 28 111 In 0.22845018913305 0.12500000000000 0.75378950569692 114.818 > 28 112 In 0.22845018913305 0.62500000000000 0.75378950569692 114.818 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8237297 0.0000000 0.0000000 0.0000000 3.7554874 0.0000000 0.0000000 0.0000000 3.7402413 -------------------------- Born effective charges -------------------------- 1 Li 1.0344062 -0.2113030 0.0049042 -0.1294823 1.0745429 0.0948023 0.0680000 0.0598681 1.3025013 2 Li 1.0344062 -0.2113030 -0.0049042 -0.1294823 1.0745429 -0.0948023 -0.0680000 -0.0598681 1.3025013 3 Li 1.0344062 0.2113030 0.0049042 0.1294823 1.0745429 -0.0948023 0.0680000 -0.0598681 1.3025013 4 Li 1.0344062 0.2113030 -0.0049042 0.1294823 1.0745429 0.0948023 -0.0680000 0.0598681 1.3025013 5 O -1.7578922 0.2748606 0.2980617 0.3966186 -2.3450271 0.1265582 0.3103110 0.1833222 -1.7821719 6 O -1.7578922 0.2748606 0.2980617 0.3966186 -2.3450271 0.1265582 0.3103110 0.1833222 -1.7821719 7 O -1.7578922 0.2748606 -0.2980617 0.3966186 -2.3450271 -0.1265582 -0.3103110 -0.1833222 -1.7821719 8 O -1.7578922 -0.2748606 0.2980617 -0.3966186 -2.3450271 -0.1265582 0.3103110 -0.1833222 -1.7821719 9 O -1.7578922 -0.2748606 -0.2980617 -0.3966186 -2.3450271 0.1265582 -0.3103110 0.1833222 -1.7821719 10 O -1.6357842 0.0000000 0.3033481 0.0000000 -1.3805186 0.0000000 0.3574320 0.0000000 -2.3888502 11 O -1.7578922 0.2748606 -0.2980617 0.3966186 -2.3450271 -0.1265582 -0.3103110 -0.1833222 -1.7821719 12 O -1.7578922 -0.2748606 0.2980617 -0.3966186 -2.3450271 -0.1265582 0.3103110 -0.1833222 -1.7821719 13 O -1.6357842 0.0000000 0.3033481 0.0000000 -1.3805186 0.0000000 0.3574320 0.0000000 -2.3888502 14 O -1.6357842 0.0000000 -0.3033481 0.0000000 -1.3805186 0.0000000 -0.3574320 0.0000000 -2.3888502 15 O -2.5950942 0.0000000 -0.0600896 0.0000000 -1.4632358 0.0000000 0.1133164 0.0000000 -1.4965505 16 O -1.6357842 0.0000000 -0.3033481 0.0000000 -1.3805186 0.0000000 -0.3574320 0.0000000 -2.3888502 17 O -2.5950942 0.0000000 0.0600896 0.0000000 -1.4632358 0.0000000 -0.1133164 0.0000000 -1.4965505 18 O -2.5950942 0.0000000 0.0600896 0.0000000 -1.4632358 0.0000000 -0.1133164 0.0000000 -1.4965505 19 O -2.5950942 0.0000000 -0.0600896 0.0000000 -1.4632358 0.0000000 0.1133164 0.0000000 -1.4965505 20 O -1.7578922 -0.2748606 -0.2980617 -0.3966186 -2.3450271 0.1265582 -0.3103110 0.1833222 -1.7821719 21 Ge 3.2198888 0.0000000 -0.1726816 0.0000000 3.0446303 0.0000000 0.3242852 0.0000000 3.0292270 22 Ge 3.2198888 0.0000000 0.1726816 0.0000000 3.0446303 0.0000000 -0.3242852 0.0000000 3.0292270 23 Ge 3.2198888 0.0000000 -0.1726816 0.0000000 3.0446303 0.0000000 0.3242852 0.0000000 3.0292270 24 Ge 3.2198888 0.0000000 0.1726816 0.0000000 3.0446303 0.0000000 -0.3242852 0.0000000 3.0292270 25 In 3.4923677 0.0000000 0.0161531 0.0000000 3.4146354 0.0000000 0.1065601 0.0000000 3.1180161 26 In 3.4923677 0.0000000 -0.0161531 0.0000000 3.4146354 0.0000000 -0.1065601 0.0000000 3.1180161 27 In 3.4923677 0.0000000 0.0161531 0.0000000 3.4146354 0.0000000 0.1065601 0.0000000 3.1180161 28 In 3.4923677 0.0000000 -0.0161531 0.0000000 3.4146354 0.0000000 -0.1065601 0.0000000 3.1180161 ---------------------------------------------------------------------------- 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: 3.119 Solver_block: 200 / 480 - Time: 3.072 Solver_block: 300 / 480 - Time: 3.079 Solver_block: 400 / 480 - Time: 3.072 Solver_block: 480 / 480 - Time: 2.482 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.871 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) 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 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 03:51:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:51:40]------------------------- 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 10.750349259999998 0.000000000000000 0.000000000000000 b 0.000000000000000 6.077889299999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.002231240000000 Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 2 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 3 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 4 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 5 O 0.66555103228891 0.53079563938824 0.77132417665481 15.999 6 O 0.33444896771109 0.46920436061176 0.22867582334519 15.999 7 O 0.16555103228891 0.53079563938824 0.72867582334519 15.999 8 O 0.66555103228891 0.96920436061176 0.77132417665481 15.999 9 O 0.83444896771109 0.03079563938824 0.27132417665481 15.999 10 O 0.90724270534035 0.25000000000000 0.78783408454941 15.999 11 O 0.83444896771109 0.46920436061176 0.27132417665481 15.999 12 O 0.33444896771109 0.03079563938824 0.22867582334519 15.999 13 O 0.09275729465965 0.75000000000000 0.21216591545059 15.999 14 O 0.40724270534035 0.25000000000000 0.71216591545059 15.999 15 O 0.43970508480448 0.75000000000000 0.78652834041725 15.999 16 O 0.59275729465965 0.75000000000000 0.28783408454941 15.999 17 O 0.93970508480448 0.75000000000000 0.71347165958275 15.999 18 O 0.06029491519553 0.25000000000000 0.28652834041725 15.999 19 O 0.56029491519552 0.25000000000000 0.21347165958275 15.999 20 O 0.16555103228891 0.96920436061176 0.72867582334519 15.999 21 Ge 0.08598139207490 0.75000000000000 0.55840562847678 72.640 22 Ge 0.58598139207490 0.75000000000000 0.94159437152322 72.640 23 Ge 0.91401860792510 0.25000000000000 0.44159437152322 72.640 24 Ge 0.41401860792510 0.25000000000000 0.05840562847678 72.640 25 In 0.27154981086695 0.75000000000000 0.00757901139383 114.818 26 In 0.77154981086695 0.75000000000000 0.49242098860617 114.818 27 In 0.72845018913305 0.25000000000000 0.99242098860617 114.818 28 In 0.22845018913305 0.25000000000000 0.50757901139383 114.818 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.750349259999998 0.000000000000000 0.000000000000000 b 0.000000000000000 12.155778599999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.004462480000001 Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 1 2 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 > 1 3 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 1 4 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 > 1 5 Li 0.50000000000000 0.00000000000000 0.25000000000000 6.941 > 5 6 Li 0.50000000000000 0.50000000000000 0.25000000000000 6.941 > 5 7 Li 0.50000000000000 0.00000000000000 0.75000000000000 6.941 > 5 8 Li 0.50000000000000 0.50000000000000 0.75000000000000 6.941 > 5 9 Li 0.00000000000000 0.25000000000000 0.00000000000000 6.941 > 9 10 Li 0.00000000000000 0.75000000000000 0.00000000000000 6.941 > 9 11 Li 0.00000000000000 0.25000000000000 0.50000000000000 6.941 > 9 12 Li 0.00000000000000 0.75000000000000 0.50000000000000 6.941 > 9 13 Li 0.50000000000000 0.25000000000000 0.25000000000000 6.941 > 13 14 Li 0.50000000000000 0.75000000000000 0.25000000000000 6.941 > 13 15 Li 0.50000000000000 0.25000000000000 0.75000000000000 6.941 > 13 16 Li 0.50000000000000 0.75000000000000 0.75000000000000 6.941 > 13 17 O 0.66555103228891 0.26539781969412 0.38566208832740 15.999 > 17 18 O 0.66555103228891 0.76539781969412 0.38566208832740 15.999 > 17 19 O 0.66555103228891 0.26539781969412 0.88566208832740 15.999 > 17 20 O 0.66555103228891 0.76539781969412 0.88566208832740 15.999 > 17 21 O 0.33444896771109 0.23460218030588 0.11433791167260 15.999 > 21 22 O 0.33444896771109 0.73460218030588 0.11433791167260 15.999 > 21 23 O 0.33444896771109 0.23460218030588 0.61433791167260 15.999 > 21 24 O 0.33444896771109 0.73460218030588 0.61433791167260 15.999 > 21 25 O 0.16555103228891 0.26539781969412 0.36433791167260 15.999 > 25 26 O 0.16555103228891 0.76539781969412 0.36433791167260 15.999 > 25 27 O 0.16555103228891 0.26539781969412 0.86433791167260 15.999 > 25 28 O 0.16555103228891 0.76539781969412 0.86433791167260 15.999 > 25 29 O 0.66555103228891 0.48460218030588 0.38566208832740 15.999 > 29 30 O 0.66555103228891 0.98460218030588 0.38566208832740 15.999 > 29 31 O 0.66555103228891 0.48460218030588 0.88566208832740 15.999 > 29 32 O 0.66555103228891 0.98460218030588 0.88566208832740 15.999 > 29 33 O 0.83444896771109 0.01539781969412 0.13566208832740 15.999 > 33 34 O 0.83444896771109 0.51539781969412 0.13566208832740 15.999 > 33 35 O 0.83444896771109 0.01539781969412 0.63566208832740 15.999 > 33 36 O 0.83444896771109 0.51539781969412 0.63566208832740 15.999 > 33 37 O 0.90724270534035 0.12500000000000 0.39391704227471 15.999 > 37 38 O 0.90724270534035 0.62500000000000 0.39391704227471 15.999 > 37 39 O 0.90724270534035 0.12500000000000 0.89391704227471 15.999 > 37 40 O 0.90724270534035 0.62500000000000 0.89391704227471 15.999 > 37 41 O 0.83444896771109 0.23460218030588 0.13566208832740 15.999 > 41 42 O 0.83444896771109 0.73460218030588 0.13566208832740 15.999 > 41 43 O 0.83444896771109 0.23460218030588 0.63566208832740 15.999 > 41 44 O 0.83444896771109 0.73460218030588 0.63566208832740 15.999 > 41 45 O 0.33444896771109 0.01539781969412 0.11433791167260 15.999 > 45 46 O 0.33444896771109 0.51539781969412 0.11433791167260 15.999 > 45 47 O 0.33444896771109 0.01539781969412 0.61433791167260 15.999 > 45 48 O 0.33444896771109 0.51539781969412 0.61433791167260 15.999 > 45 49 O 0.09275729465965 0.37500000000000 0.10608295772529 15.999 > 49 50 O 0.09275729465965 0.87500000000000 0.10608295772529 15.999 > 49 51 O 0.09275729465965 0.37500000000000 0.60608295772529 15.999 > 49 52 O 0.09275729465965 0.87500000000000 0.60608295772529 15.999 > 49 53 O 0.40724270534035 0.12500000000000 0.35608295772529 15.999 > 53 54 O 0.40724270534035 0.62500000000000 0.35608295772529 15.999 > 53 55 O 0.40724270534035 0.12500000000000 0.85608295772529 15.999 > 53 56 O 0.40724270534035 0.62500000000000 0.85608295772529 15.999 > 53 57 O 0.43970508480448 0.37500000000000 0.39326417020862 15.999 > 57 58 O 0.43970508480448 0.87500000000000 0.39326417020862 15.999 > 57 59 O 0.43970508480448 0.37500000000000 0.89326417020862 15.999 > 57 60 O 0.43970508480448 0.87500000000000 0.89326417020862 15.999 > 57 61 O 0.59275729465965 0.37500000000000 0.14391704227471 15.999 > 61 62 O 0.59275729465965 0.87500000000000 0.14391704227471 15.999 > 61 63 O 0.59275729465965 0.37500000000000 0.64391704227471 15.999 > 61 64 O 0.59275729465965 0.87500000000000 0.64391704227471 15.999 > 61 65 O 0.93970508480448 0.37500000000000 0.35673582979138 15.999 > 65 66 O 0.93970508480448 0.87500000000000 0.35673582979138 15.999 > 65 67 O 0.93970508480448 0.37500000000000 0.85673582979138 15.999 > 65 68 O 0.93970508480448 0.87500000000000 0.85673582979138 15.999 > 65 69 O 0.06029491519553 0.12500000000000 0.14326417020862 15.999 > 69 70 O 0.06029491519553 0.62500000000000 0.14326417020862 15.999 > 69 71 O 0.06029491519553 0.12500000000000 0.64326417020862 15.999 > 69 72 O 0.06029491519553 0.62500000000000 0.64326417020862 15.999 > 69 73 O 0.56029491519552 0.12500000000000 0.10673582979138 15.999 > 73 74 O 0.56029491519552 0.62500000000000 0.10673582979138 15.999 > 73 75 O 0.56029491519552 0.12500000000000 0.60673582979138 15.999 > 73 76 O 0.56029491519552 0.62500000000000 0.60673582979138 15.999 > 73 77 O 0.16555103228891 0.48460218030588 0.36433791167260 15.999 > 77 78 O 0.16555103228891 0.98460218030588 0.36433791167260 15.999 > 77 79 O 0.16555103228891 0.48460218030588 0.86433791167260 15.999 > 77 80 O 0.16555103228891 0.98460218030588 0.86433791167260 15.999 > 77 81 Ge 0.08598139207490 0.37500000000000 0.27920281423839 72.640 > 81 82 Ge 0.08598139207490 0.87500000000000 0.27920281423839 72.640 > 81 83 Ge 0.08598139207490 0.37500000000000 0.77920281423839 72.640 > 81 84 Ge 0.08598139207490 0.87500000000000 0.77920281423839 72.640 > 81 85 Ge 0.58598139207490 0.37500000000000 0.47079718576161 72.640 > 85 86 Ge 0.58598139207490 0.87500000000000 0.47079718576161 72.640 > 85 87 Ge 0.58598139207490 0.37500000000000 0.97079718576161 72.640 > 85 88 Ge 0.58598139207490 0.87500000000000 0.97079718576161 72.640 > 85 89 Ge 0.91401860792510 0.12500000000000 0.22079718576161 72.640 > 89 90 Ge 0.91401860792510 0.62500000000000 0.22079718576161 72.640 > 89 91 Ge 0.91401860792510 0.12500000000000 0.72079718576161 72.640 > 89 92 Ge 0.91401860792510 0.62500000000000 0.72079718576161 72.640 > 89 93 Ge 0.41401860792510 0.12500000000000 0.02920281423839 72.640 > 93 94 Ge 0.41401860792510 0.62500000000000 0.02920281423839 72.640 > 93 95 Ge 0.41401860792510 0.12500000000000 0.52920281423839 72.640 > 93 96 Ge 0.41401860792510 0.62500000000000 0.52920281423839 72.640 > 93 97 In 0.27154981086695 0.37500000000000 0.00378950569692 114.818 > 97 98 In 0.27154981086695 0.87500000000000 0.00378950569692 114.818 > 97 99 In 0.27154981086695 0.37500000000000 0.50378950569692 114.818 > 97 100 In 0.27154981086695 0.87500000000000 0.50378950569692 114.818 > 97 101 In 0.77154981086695 0.37500000000000 0.24621049430308 114.818 > 101 102 In 0.77154981086695 0.87500000000000 0.24621049430308 114.818 > 101 103 In 0.77154981086695 0.37500000000000 0.74621049430308 114.818 > 101 104 In 0.77154981086695 0.87500000000000 0.74621049430308 114.818 > 101 105 In 0.72845018913305 0.12500000000000 0.49621049430308 114.818 > 105 106 In 0.72845018913305 0.62500000000000 0.49621049430308 114.818 > 105 107 In 0.72845018913305 0.12500000000000 0.99621049430308 114.818 > 105 108 In 0.72845018913305 0.62500000000000 0.99621049430308 114.818 > 105 109 In 0.22845018913305 0.12500000000000 0.25378950569692 114.818 > 109 110 In 0.22845018913305 0.62500000000000 0.25378950569692 114.818 > 109 111 In 0.22845018913305 0.12500000000000 0.75378950569692 114.818 > 109 112 In 0.22845018913305 0.62500000000000 0.75378950569692 114.818 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8237297 0.0000000 0.0000000 0.0000000 3.7554874 0.0000000 0.0000000 0.0000000 3.7402413 -------------------------- Born effective charges -------------------------- 1 Li 1.0344062 -0.2113030 0.0049042 -0.1294823 1.0745429 0.0948023 0.0680000 0.0598681 1.3025013 2 Li 1.0344062 -0.2113030 -0.0049042 -0.1294823 1.0745429 -0.0948023 -0.0680000 -0.0598681 1.3025013 3 Li 1.0344062 0.2113030 0.0049042 0.1294823 1.0745429 -0.0948023 0.0680000 -0.0598681 1.3025013 4 Li 1.0344062 0.2113030 -0.0049042 0.1294823 1.0745429 0.0948023 -0.0680000 0.0598681 1.3025013 5 O -1.7578922 0.2748606 0.2980617 0.3966186 -2.3450271 0.1265582 0.3103110 0.1833222 -1.7821719 6 O -1.7578922 0.2748606 0.2980617 0.3966186 -2.3450271 0.1265582 0.3103110 0.1833222 -1.7821719 7 O -1.7578922 0.2748606 -0.2980617 0.3966186 -2.3450271 -0.1265582 -0.3103110 -0.1833222 -1.7821719 8 O -1.7578922 -0.2748606 0.2980617 -0.3966186 -2.3450271 -0.1265582 0.3103110 -0.1833222 -1.7821719 9 O -1.7578922 -0.2748606 -0.2980617 -0.3966186 -2.3450271 0.1265582 -0.3103110 0.1833222 -1.7821719 10 O -1.6357842 0.0000000 0.3033481 0.0000000 -1.3805186 0.0000000 0.3574320 0.0000000 -2.3888502 11 O -1.7578922 0.2748606 -0.2980617 0.3966186 -2.3450271 -0.1265582 -0.3103110 -0.1833222 -1.7821719 12 O -1.7578922 -0.2748606 0.2980617 -0.3966186 -2.3450271 -0.1265582 0.3103110 -0.1833222 -1.7821719 13 O -1.6357842 0.0000000 0.3033481 0.0000000 -1.3805186 0.0000000 0.3574320 0.0000000 -2.3888502 14 O -1.6357842 0.0000000 -0.3033481 0.0000000 -1.3805186 0.0000000 -0.3574320 0.0000000 -2.3888502 15 O -2.5950942 0.0000000 -0.0600896 0.0000000 -1.4632358 0.0000000 0.1133164 0.0000000 -1.4965505 16 O -1.6357842 0.0000000 -0.3033481 0.0000000 -1.3805186 0.0000000 -0.3574320 0.0000000 -2.3888502 17 O -2.5950942 0.0000000 0.0600896 0.0000000 -1.4632358 0.0000000 -0.1133164 0.0000000 -1.4965505 18 O -2.5950942 0.0000000 0.0600896 0.0000000 -1.4632358 0.0000000 -0.1133164 0.0000000 -1.4965505 19 O -2.5950942 0.0000000 -0.0600896 0.0000000 -1.4632358 0.0000000 0.1133164 0.0000000 -1.4965505 20 O -1.7578922 -0.2748606 -0.2980617 -0.3966186 -2.3450271 0.1265582 -0.3103110 0.1833222 -1.7821719 21 Ge 3.2198888 0.0000000 -0.1726816 0.0000000 3.0446303 0.0000000 0.3242852 0.0000000 3.0292270 22 Ge 3.2198888 0.0000000 0.1726816 0.0000000 3.0446303 0.0000000 -0.3242852 0.0000000 3.0292270 23 Ge 3.2198888 0.0000000 -0.1726816 0.0000000 3.0446303 0.0000000 0.3242852 0.0000000 3.0292270 24 Ge 3.2198888 0.0000000 0.1726816 0.0000000 3.0446303 0.0000000 -0.3242852 0.0000000 3.0292270 25 In 3.4923677 0.0000000 0.0161531 0.0000000 3.4146354 0.0000000 0.1065601 0.0000000 3.1180161 26 In 3.4923677 0.0000000 -0.0161531 0.0000000 3.4146354 0.0000000 -0.1065601 0.0000000 3.1180161 27 In 3.4923677 0.0000000 0.0161531 0.0000000 3.4146354 0.0000000 0.1065601 0.0000000 3.1180161 28 In 3.4923677 0.0000000 -0.0161531 0.0000000 3.4146354 0.0000000 -0.1065601 0.0000000 3.1180161 ---------------------------------------------------------------------------- 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[ 37, 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[ 57, 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: -0.00000004 (xzx) -0.00000004 (xzx) -0.00000004 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000003 (yx) -0.00000003 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:52:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:52:04]------------------------- 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 10.750349259999998 0.000000000000000 0.000000000000000 b 0.000000000000000 6.077889299999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.002231240000000 Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 2 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 3 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 4 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 5 O 0.66555103228891 0.53079563938824 0.77132417665481 15.999 6 O 0.33444896771109 0.46920436061176 0.22867582334519 15.999 7 O 0.16555103228891 0.53079563938824 0.72867582334519 15.999 8 O 0.66555103228891 0.96920436061176 0.77132417665481 15.999 9 O 0.83444896771109 0.03079563938824 0.27132417665481 15.999 10 O 0.90724270534035 0.25000000000000 0.78783408454941 15.999 11 O 0.83444896771109 0.46920436061176 0.27132417665481 15.999 12 O 0.33444896771109 0.03079563938824 0.22867582334519 15.999 13 O 0.09275729465965 0.75000000000000 0.21216591545059 15.999 14 O 0.40724270534035 0.25000000000000 0.71216591545059 15.999 15 O 0.43970508480448 0.75000000000000 0.78652834041725 15.999 16 O 0.59275729465965 0.75000000000000 0.28783408454941 15.999 17 O 0.93970508480448 0.75000000000000 0.71347165958275 15.999 18 O 0.06029491519553 0.25000000000000 0.28652834041725 15.999 19 O 0.56029491519552 0.25000000000000 0.21347165958275 15.999 20 O 0.16555103228891 0.96920436061176 0.72867582334519 15.999 21 Ge 0.08598139207490 0.75000000000000 0.55840562847678 72.640 22 Ge 0.58598139207490 0.75000000000000 0.94159437152322 72.640 23 Ge 0.91401860792510 0.25000000000000 0.44159437152322 72.640 24 Ge 0.41401860792510 0.25000000000000 0.05840562847678 72.640 25 In 0.27154981086695 0.75000000000000 0.00757901139383 114.818 26 In 0.77154981086695 0.75000000000000 0.49242098860617 114.818 27 In 0.72845018913305 0.25000000000000 0.99242098860617 114.818 28 In 0.22845018913305 0.25000000000000 0.50757901139383 114.818 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.750349259999998 0.000000000000000 0.000000000000000 b 0.000000000000000 12.155778599999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.004462480000001 Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 1 2 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 > 1 3 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 1 4 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 > 1 5 Li 0.50000000000000 0.00000000000000 0.25000000000000 6.941 > 5 6 Li 0.50000000000000 0.50000000000000 0.25000000000000 6.941 > 5 7 Li 0.50000000000000 0.00000000000000 0.75000000000000 6.941 > 5 8 Li 0.50000000000000 0.50000000000000 0.75000000000000 6.941 > 5 9 Li 0.00000000000000 0.25000000000000 0.00000000000000 6.941 > 9 10 Li 0.00000000000000 0.75000000000000 0.00000000000000 6.941 > 9 11 Li 0.00000000000000 0.25000000000000 0.50000000000000 6.941 > 9 12 Li 0.00000000000000 0.75000000000000 0.50000000000000 6.941 > 9 13 Li 0.50000000000000 0.25000000000000 0.25000000000000 6.941 > 13 14 Li 0.50000000000000 0.75000000000000 0.25000000000000 6.941 > 13 15 Li 0.50000000000000 0.25000000000000 0.75000000000000 6.941 > 13 16 Li 0.50000000000000 0.75000000000000 0.75000000000000 6.941 > 13 17 O 0.66555103228891 0.26539781969412 0.38566208832740 15.999 > 17 18 O 0.66555103228891 0.76539781969412 0.38566208832740 15.999 > 17 19 O 0.66555103228891 0.26539781969412 0.88566208832740 15.999 > 17 20 O 0.66555103228891 0.76539781969412 0.88566208832740 15.999 > 17 21 O 0.33444896771109 0.23460218030588 0.11433791167260 15.999 > 21 22 O 0.33444896771109 0.73460218030588 0.11433791167260 15.999 > 21 23 O 0.33444896771109 0.23460218030588 0.61433791167260 15.999 > 21 24 O 0.33444896771109 0.73460218030588 0.61433791167260 15.999 > 21 25 O 0.16555103228891 0.26539781969412 0.36433791167260 15.999 > 25 26 O 0.16555103228891 0.76539781969412 0.36433791167260 15.999 > 25 27 O 0.16555103228891 0.26539781969412 0.86433791167260 15.999 > 25 28 O 0.16555103228891 0.76539781969412 0.86433791167260 15.999 > 25 29 O 0.66555103228891 0.48460218030588 0.38566208832740 15.999 > 29 30 O 0.66555103228891 0.98460218030588 0.38566208832740 15.999 > 29 31 O 0.66555103228891 0.48460218030588 0.88566208832740 15.999 > 29 32 O 0.66555103228891 0.98460218030588 0.88566208832740 15.999 > 29 33 O 0.83444896771109 0.01539781969412 0.13566208832740 15.999 > 33 34 O 0.83444896771109 0.51539781969412 0.13566208832740 15.999 > 33 35 O 0.83444896771109 0.01539781969412 0.63566208832740 15.999 > 33 36 O 0.83444896771109 0.51539781969412 0.63566208832740 15.999 > 33 37 O 0.90724270534035 0.12500000000000 0.39391704227471 15.999 > 37 38 O 0.90724270534035 0.62500000000000 0.39391704227471 15.999 > 37 39 O 0.90724270534035 0.12500000000000 0.89391704227471 15.999 > 37 40 O 0.90724270534035 0.62500000000000 0.89391704227471 15.999 > 37 41 O 0.83444896771109 0.23460218030588 0.13566208832740 15.999 > 41 42 O 0.83444896771109 0.73460218030588 0.13566208832740 15.999 > 41 43 O 0.83444896771109 0.23460218030588 0.63566208832740 15.999 > 41 44 O 0.83444896771109 0.73460218030588 0.63566208832740 15.999 > 41 45 O 0.33444896771109 0.01539781969412 0.11433791167260 15.999 > 45 46 O 0.33444896771109 0.51539781969412 0.11433791167260 15.999 > 45 47 O 0.33444896771109 0.01539781969412 0.61433791167260 15.999 > 45 48 O 0.33444896771109 0.51539781969412 0.61433791167260 15.999 > 45 49 O 0.09275729465965 0.37500000000000 0.10608295772529 15.999 > 49 50 O 0.09275729465965 0.87500000000000 0.10608295772529 15.999 > 49 51 O 0.09275729465965 0.37500000000000 0.60608295772529 15.999 > 49 52 O 0.09275729465965 0.87500000000000 0.60608295772529 15.999 > 49 53 O 0.40724270534035 0.12500000000000 0.35608295772529 15.999 > 53 54 O 0.40724270534035 0.62500000000000 0.35608295772529 15.999 > 53 55 O 0.40724270534035 0.12500000000000 0.85608295772529 15.999 > 53 56 O 0.40724270534035 0.62500000000000 0.85608295772529 15.999 > 53 57 O 0.43970508480448 0.37500000000000 0.39326417020862 15.999 > 57 58 O 0.43970508480448 0.87500000000000 0.39326417020862 15.999 > 57 59 O 0.43970508480448 0.37500000000000 0.89326417020862 15.999 > 57 60 O 0.43970508480448 0.87500000000000 0.89326417020862 15.999 > 57 61 O 0.59275729465965 0.37500000000000 0.14391704227471 15.999 > 61 62 O 0.59275729465965 0.87500000000000 0.14391704227471 15.999 > 61 63 O 0.59275729465965 0.37500000000000 0.64391704227471 15.999 > 61 64 O 0.59275729465965 0.87500000000000 0.64391704227471 15.999 > 61 65 O 0.93970508480448 0.37500000000000 0.35673582979138 15.999 > 65 66 O 0.93970508480448 0.87500000000000 0.35673582979138 15.999 > 65 67 O 0.93970508480448 0.37500000000000 0.85673582979138 15.999 > 65 68 O 0.93970508480448 0.87500000000000 0.85673582979138 15.999 > 65 69 O 0.06029491519553 0.12500000000000 0.14326417020862 15.999 > 69 70 O 0.06029491519553 0.62500000000000 0.14326417020862 15.999 > 69 71 O 0.06029491519553 0.12500000000000 0.64326417020862 15.999 > 69 72 O 0.06029491519553 0.62500000000000 0.64326417020862 15.999 > 69 73 O 0.56029491519552 0.12500000000000 0.10673582979138 15.999 > 73 74 O 0.56029491519552 0.62500000000000 0.10673582979138 15.999 > 73 75 O 0.56029491519552 0.12500000000000 0.60673582979138 15.999 > 73 76 O 0.56029491519552 0.62500000000000 0.60673582979138 15.999 > 73 77 O 0.16555103228891 0.48460218030588 0.36433791167260 15.999 > 77 78 O 0.16555103228891 0.98460218030588 0.36433791167260 15.999 > 77 79 O 0.16555103228891 0.48460218030588 0.86433791167260 15.999 > 77 80 O 0.16555103228891 0.98460218030588 0.86433791167260 15.999 > 77 81 Ge 0.08598139207490 0.37500000000000 0.27920281423839 72.640 > 81 82 Ge 0.08598139207490 0.87500000000000 0.27920281423839 72.640 > 81 83 Ge 0.08598139207490 0.37500000000000 0.77920281423839 72.640 > 81 84 Ge 0.08598139207490 0.87500000000000 0.77920281423839 72.640 > 81 85 Ge 0.58598139207490 0.37500000000000 0.47079718576161 72.640 > 85 86 Ge 0.58598139207490 0.87500000000000 0.47079718576161 72.640 > 85 87 Ge 0.58598139207490 0.37500000000000 0.97079718576161 72.640 > 85 88 Ge 0.58598139207490 0.87500000000000 0.97079718576161 72.640 > 85 89 Ge 0.91401860792510 0.12500000000000 0.22079718576161 72.640 > 89 90 Ge 0.91401860792510 0.62500000000000 0.22079718576161 72.640 > 89 91 Ge 0.91401860792510 0.12500000000000 0.72079718576161 72.640 > 89 92 Ge 0.91401860792510 0.62500000000000 0.72079718576161 72.640 > 89 93 Ge 0.41401860792510 0.12500000000000 0.02920281423839 72.640 > 93 94 Ge 0.41401860792510 0.62500000000000 0.02920281423839 72.640 > 93 95 Ge 0.41401860792510 0.12500000000000 0.52920281423839 72.640 > 93 96 Ge 0.41401860792510 0.62500000000000 0.52920281423839 72.640 > 93 97 In 0.27154981086695 0.37500000000000 0.00378950569692 114.818 > 97 98 In 0.27154981086695 0.87500000000000 0.00378950569692 114.818 > 97 99 In 0.27154981086695 0.37500000000000 0.50378950569692 114.818 > 97 100 In 0.27154981086695 0.87500000000000 0.50378950569692 114.818 > 97 101 In 0.77154981086695 0.37500000000000 0.24621049430308 114.818 > 101 102 In 0.77154981086695 0.87500000000000 0.24621049430308 114.818 > 101 103 In 0.77154981086695 0.37500000000000 0.74621049430308 114.818 > 101 104 In 0.77154981086695 0.87500000000000 0.74621049430308 114.818 > 101 105 In 0.72845018913305 0.12500000000000 0.49621049430308 114.818 > 105 106 In 0.72845018913305 0.62500000000000 0.49621049430308 114.818 > 105 107 In 0.72845018913305 0.12500000000000 0.99621049430308 114.818 > 105 108 In 0.72845018913305 0.62500000000000 0.99621049430308 114.818 > 105 109 In 0.22845018913305 0.12500000000000 0.25378950569692 114.818 > 109 110 In 0.22845018913305 0.62500000000000 0.25378950569692 114.818 > 109 111 In 0.22845018913305 0.12500000000000 0.75378950569692 114.818 > 109 112 In 0.22845018913305 0.62500000000000 0.75378950569692 114.818 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.8237297 0.0000000 0.0000000 0.0000000 3.7554874 0.0000000 0.0000000 0.0000000 3.7402413 -------------------------- Born effective charges -------------------------- 1 Li 1.0344062 -0.2113030 0.0049042 -0.1294823 1.0745429 0.0948023 0.0680000 0.0598681 1.3025013 2 Li 1.0344062 -0.2113030 -0.0049042 -0.1294823 1.0745429 -0.0948023 -0.0680000 -0.0598681 1.3025013 3 Li 1.0344062 0.2113030 0.0049042 0.1294823 1.0745429 -0.0948023 0.0680000 -0.0598681 1.3025013 4 Li 1.0344062 0.2113030 -0.0049042 0.1294823 1.0745429 0.0948023 -0.0680000 0.0598681 1.3025013 5 O -1.7578922 0.2748606 0.2980617 0.3966186 -2.3450271 0.1265582 0.3103110 0.1833222 -1.7821719 6 O -1.7578922 0.2748606 0.2980617 0.3966186 -2.3450271 0.1265582 0.3103110 0.1833222 -1.7821719 7 O -1.7578922 0.2748606 -0.2980617 0.3966186 -2.3450271 -0.1265582 -0.3103110 -0.1833222 -1.7821719 8 O -1.7578922 -0.2748606 0.2980617 -0.3966186 -2.3450271 -0.1265582 0.3103110 -0.1833222 -1.7821719 9 O -1.7578922 -0.2748606 -0.2980617 -0.3966186 -2.3450271 0.1265582 -0.3103110 0.1833222 -1.7821719 10 O -1.6357842 0.0000000 0.3033481 0.0000000 -1.3805186 0.0000000 0.3574320 0.0000000 -2.3888502 11 O -1.7578922 0.2748606 -0.2980617 0.3966186 -2.3450271 -0.1265582 -0.3103110 -0.1833222 -1.7821719 12 O -1.7578922 -0.2748606 0.2980617 -0.3966186 -2.3450271 -0.1265582 0.3103110 -0.1833222 -1.7821719 13 O -1.6357842 0.0000000 0.3033481 0.0000000 -1.3805186 0.0000000 0.3574320 0.0000000 -2.3888502 14 O -1.6357842 0.0000000 -0.3033481 0.0000000 -1.3805186 0.0000000 -0.3574320 0.0000000 -2.3888502 15 O -2.5950942 0.0000000 -0.0600896 0.0000000 -1.4632358 0.0000000 0.1133164 0.0000000 -1.4965505 16 O -1.6357842 0.0000000 -0.3033481 0.0000000 -1.3805186 0.0000000 -0.3574320 0.0000000 -2.3888502 17 O -2.5950942 0.0000000 0.0600896 0.0000000 -1.4632358 0.0000000 -0.1133164 0.0000000 -1.4965505 18 O -2.5950942 0.0000000 0.0600896 0.0000000 -1.4632358 0.0000000 -0.1133164 0.0000000 -1.4965505 19 O -2.5950942 0.0000000 -0.0600896 0.0000000 -1.4632358 0.0000000 0.1133164 0.0000000 -1.4965505 20 O -1.7578922 -0.2748606 -0.2980617 -0.3966186 -2.3450271 0.1265582 -0.3103110 0.1833222 -1.7821719 21 Ge 3.2198888 0.0000000 -0.1726816 0.0000000 3.0446303 0.0000000 0.3242852 0.0000000 3.0292270 22 Ge 3.2198888 0.0000000 0.1726816 0.0000000 3.0446303 0.0000000 -0.3242852 0.0000000 3.0292270 23 Ge 3.2198888 0.0000000 -0.1726816 0.0000000 3.0446303 0.0000000 0.3242852 0.0000000 3.0292270 24 Ge 3.2198888 0.0000000 0.1726816 0.0000000 3.0446303 0.0000000 -0.3242852 0.0000000 3.0292270 25 In 3.4923677 0.0000000 0.0161531 0.0000000 3.4146354 0.0000000 0.1065601 0.0000000 3.1180161 26 In 3.4923677 0.0000000 -0.0161531 0.0000000 3.4146354 0.0000000 -0.1065601 0.0000000 3.1180161 27 In 3.4923677 0.0000000 0.0161531 0.0000000 3.4146354 0.0000000 0.1065601 0.0000000 3.1180161 28 In 3.4923677 0.0000000 -0.0161531 0.0000000 3.4146354 0.0000000 -0.1065601 0.0000000 3.1180161 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000004 (xzx) -0.00000004 (xzx) -0.00000004 (xxz) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 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: 0.60, Number of G-points: 293, Lambda: 0.12 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: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 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 2.261 ( 0.000 0.000 0.000) 0.000 2.328 ( 0.000 0.000 0.000) 0.000 2.364 ( 0.000 0.000 0.000) 0.000 3.327 ( 0.000 0.000 0.000) 0.000 3.631 ( 0.000 0.000 0.000) 0.000 3.643 ( 0.000 0.000 0.000) 0.000 3.651 ( 0.000 0.000 0.000) 0.000 3.695 ( 0.000 0.000 0.000) 0.000 3.862 ( 0.000 0.000 0.000) 0.000 4.171 ( 0.000 0.000 0.000) 0.000 4.239 ( 0.000 0.000 0.000) 0.000 4.319 ( 0.000 0.000 0.000) 0.000 4.571 ( 0.000 0.000 0.000) 0.000 4.627 ( 0.000 0.000 0.000) 0.000 4.941 ( 0.000 0.000 0.000) 0.000 4.960 ( 0.000 0.000 0.000) 0.000 5.052 ( 0.000 0.000 0.000) 0.000 5.332 ( 0.000 0.000 0.000) 0.000 5.582 ( 0.000 0.000 0.000) 0.000 5.599 ( 0.000 0.000 0.000) 0.000 5.742 ( 0.000 0.000 0.000) 0.000 5.769 ( 0.000 0.000 0.000) 0.000 5.831 ( 0.000 0.000 0.000) 0.000 5.988 ( 0.000 0.000 0.000) 0.000 6.161 ( 0.000 0.000 0.000) 0.000 6.728 ( 0.000 0.000 0.000) 0.000 7.089 ( 0.000 0.000 0.000) 0.000 7.105 ( 0.000 0.000 0.000) 0.000 7.125 ( 0.000 0.000 0.000) 0.000 7.536 ( 0.000 0.000 0.000) 0.000 7.908 ( 0.000 0.000 0.000) 0.000 7.962 ( 0.000 0.000 0.000) 0.000 8.080 ( 0.000 0.000 0.000) 0.000 8.526 ( 0.000 0.000 0.000) 0.000 8.528 ( 0.000 0.000 0.000) 0.000 9.138 ( 0.000 0.000 0.000) 0.000 9.252 ( 0.000 0.000 0.000) 0.000 9.283 ( 0.000 0.000 0.000) 0.000 9.415 ( 0.000 0.000 0.000) 0.000 9.645 ( 0.000 0.000 0.000) 0.000 9.655 ( 0.000 0.000 0.000) 0.000 10.380 ( 0.000 0.000 0.000) 0.000 10.681 ( 0.000 0.000 0.000) 0.000 11.037 ( 0.000 0.000 0.000) 0.000 11.091 ( 0.000 0.000 0.000) 0.000 11.323 ( 0.000 0.000 0.000) 0.000 11.383 ( 0.000 0.000 0.000) 0.000 11.411 ( 0.000 0.000 0.000) 0.000 11.487 ( 0.000 0.000 0.000) 0.000 11.803 ( 0.000 0.000 0.000) 0.000 12.036 ( 0.000 0.000 0.000) 0.000 12.126 ( 0.000 0.000 0.000) 0.000 12.224 ( 0.000 0.000 0.000) 0.000 12.388 ( 0.000 0.000 0.000) 0.000 12.397 ( 0.000 0.000 0.000) 0.000 12.751 ( 0.000 0.000 0.000) 0.000 13.632 ( 0.000 0.000 0.000) 0.000 13.740 ( 0.000 0.000 0.000) 0.000 13.827 ( 0.000 0.000 0.000) 0.000 14.138 ( 0.000 0.000 0.000) 0.000 14.196 ( 0.000 0.000 0.000) 0.000 14.850 ( 0.000 0.000 0.000) 0.000 14.959 ( 0.000 0.000 0.000) 0.000 15.397 ( 0.000 0.000 0.000) 0.000 15.833 ( 0.000 0.000 0.000) 0.000 18.543 ( 0.000 0.000 0.000) 0.000 18.555 ( 0.000 0.000 0.000) 0.000 19.256 ( 0.000 0.000 0.000) 0.000 19.300 ( 0.000 0.000 0.000) 0.000 20.354 ( 0.000 0.000 0.000) 0.000 20.578 ( 0.000 0.000 0.000) 0.000 21.253 ( 0.000 0.000 0.000) 0.000 21.662 ( 0.000 0.000 0.000) 0.000 22.144 ( 0.000 0.000 0.000) 0.000 22.218 ( 0.000 0.000 0.000) 0.000 22.269 ( 0.000 0.000 0.000) 0.000 22.323 ( 0.000 0.000 0.000) 0.000 22.770 ( 0.000 0.000 0.000) 0.000 23.044 ( 0.000 0.000 0.000) 0.000 23.217 ( 0.000 0.000 0.000) 0.000 24.142 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/90) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.578 ( 30.549 0.000 0.000) 30.549 0.583 ( 30.680 0.000 0.000) 30.680 1.049 ( 52.974 0.000 0.000) 52.974 2.010 ( -19.669 0.000 0.000) 19.669 2.123 ( -12.257 0.000 0.000) 12.257 2.622 ( 13.089 0.000 0.000) 13.089 3.220 ( -9.268 0.000 0.000) 9.268 3.595 ( -1.092 0.000 0.000) 1.092 3.609 ( -2.974 0.000 0.000) 2.974 3.772 ( -29.062 0.000 0.000) 29.062 3.788 ( 7.601 0.000 0.000) 7.601 3.853 ( 16.131 0.000 0.000) 16.131 3.888 ( 2.656 0.000 0.000) 2.656 4.309 ( -0.995 0.000 0.000) 0.995 4.417 ( 6.947 0.000 0.000) 6.947 4.499 ( -6.661 0.000 0.000) 6.661 4.685 ( 2.004 0.000 0.000) 2.004 4.996 ( 2.127 0.000 0.000) 2.127 5.006 ( 6.001 0.000 0.000) 6.001 5.115 ( 6.620 0.000 0.000) 6.620 5.333 ( -0.242 0.000 0.000) 0.242 5.450 ( -8.200 0.000 0.000) 8.200 5.537 ( -21.714 0.000 0.000) 21.714 5.668 ( -7.116 0.000 0.000) 7.116 5.693 ( 4.252 0.000 0.000) 4.252 5.777 ( 0.196 0.000 0.000) 0.196 6.283 ( 5.661 0.000 0.000) 5.661 6.538 ( -9.649 0.000 0.000) 9.649 6.906 ( 7.974 0.000 0.000) 7.974 7.090 ( -0.143 0.000 0.000) 0.143 7.175 ( 5.071 0.000 0.000) 5.071 7.226 ( 12.406 0.000 0.000) 12.406 7.512 ( -2.798 0.000 0.000) 2.798 7.907 ( -0.038 0.000 0.000) 0.038 7.946 ( -1.482 0.000 0.000) 1.482 8.001 ( -8.081 0.000 0.000) 8.081 8.599 ( 6.908 0.000 0.000) 6.908 8.613 ( 8.022 0.000 0.000) 8.022 9.256 ( 0.415 0.000 0.000) 0.415 9.282 ( -0.162 0.000 0.000) 0.162 9.440 ( 2.534 0.000 0.000) 2.534 9.589 ( -3.545 0.000 0.000) 3.545 9.600 ( -5.306 0.000 0.000) 5.306 9.626 ( -2.031 0.000 0.000) 2.031 10.660 ( -1.547 0.000 0.000) 1.547 10.843 ( -6.400 0.000 0.000) 6.400 11.013 ( -1.921 0.000 0.000) 1.921 11.058 ( -2.944 0.000 0.000) 2.944 11.374 ( 4.637 0.000 0.000) 4.637 11.466 ( 8.145 0.000 0.000) 8.145 11.513 ( 1.924 0.000 0.000) 1.924 11.831 ( 1.792 0.000 0.000) 1.792 12.052 ( 1.939 0.000 0.000) 1.939 12.144 ( 1.546 0.000 0.000) 1.546 12.163 ( -0.912 0.000 0.000) 0.912 12.344 ( -4.523 0.000 0.000) 4.523 12.390 ( -0.511 0.000 0.000) 0.511 12.604 ( -9.898 0.000 0.000) 9.898 13.137 ( 12.776 0.000 0.000) 12.776 13.646 ( 1.431 0.000 0.000) 1.431 13.733 ( -0.773 0.000 0.000) 0.773 13.764 ( -6.487 0.000 0.000) 6.487 14.142 ( 0.440 0.000 0.000) 0.440 14.205 ( -1.193 0.000 0.000) 1.193 14.864 ( 1.401 0.000 0.000) 1.401 14.952 ( -0.789 0.000 0.000) 0.789 15.873 ( 4.125 0.000 0.000) 4.125 16.179 ( -3.481 0.000 0.000) 3.481 18.544 ( 0.126 0.000 0.000) 0.126 18.554 ( -0.129 0.000 0.000) 0.129 19.261 ( 0.443 0.000 0.000) 0.443 19.296 ( -0.413 0.000 0.000) 0.413 20.372 ( 1.844 0.000 0.000) 1.844 20.551 ( -2.660 0.000 0.000) 2.660 21.690 ( 2.784 0.000 0.000) 2.784 21.839 ( -0.906 0.000 0.000) 0.906 22.228 ( 0.988 0.000 0.000) 0.988 22.275 ( 0.592 0.000 0.000) 0.592 22.318 ( -0.492 0.000 0.000) 0.492 22.552 ( -8.596 0.000 0.000) 8.596 22.903 ( 8.238 0.000 0.000) 8.238 23.198 ( -2.053 0.000 0.000) 2.053 24.152 ( 1.033 0.000 0.000) 1.033 24.228 ( -0.843 0.000 0.000) 0.843 ======================= Grid point 2 (3/90) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( 27.707 0.000 0.000) 27.707 1.130 ( 27.753 0.000 0.000) 27.753 1.553 ( -12.709 0.000 0.000) 12.709 1.609 ( -23.641 0.000 0.000) 23.641 2.250 ( 40.279 0.000 0.000) 40.279 2.840 ( 10.710 0.000 0.000) 10.710 3.033 ( -10.268 0.000 0.000) 10.268 3.073 ( -42.279 0.000 0.000) 42.279 3.585 ( -0.050 0.000 0.000) 0.050 3.595 ( -1.206 0.000 0.000) 1.206 3.915 ( 4.901 0.000 0.000) 4.901 3.941 ( 1.928 0.000 0.000) 1.928 4.203 ( 19.482 0.000 0.000) 19.482 4.298 ( 0.754 0.000 0.000) 0.754 4.367 ( -6.404 0.000 0.000) 6.404 4.454 ( -4.782 0.000 0.000) 4.782 4.746 ( 5.077 0.000 0.000) 5.077 4.916 ( -12.028 0.000 0.000) 12.028 5.138 ( 7.860 0.000 0.000) 7.860 5.275 ( -2.393 0.000 0.000) 2.393 5.277 ( 4.875 0.000 0.000) 4.875 5.298 ( -2.559 0.000 0.000) 2.559 5.308 ( -2.586 0.000 0.000) 2.586 5.494 ( -11.005 0.000 0.000) 11.005 5.750 ( 2.050 0.000 0.000) 2.050 5.774 ( -0.592 0.000 0.000) 0.592 6.339 ( 1.792 0.000 0.000) 1.792 6.397 ( -5.195 0.000 0.000) 5.195 7.022 ( 4.448 0.000 0.000) 4.448 7.076 ( -1.588 0.000 0.000) 1.588 7.297 ( 7.417 0.000 0.000) 7.417 7.428 ( -6.124 0.000 0.000) 6.124 7.509 ( 16.439 0.000 0.000) 16.439 7.795 ( -13.656 0.000 0.000) 13.656 7.908 ( 0.241 0.000 0.000) 0.241 7.920 ( -1.078 0.000 0.000) 1.078 8.735 ( 6.013 0.000 0.000) 6.013 8.754 ( 4.686 0.000 0.000) 4.686 9.266 ( 0.591 0.000 0.000) 0.591 9.276 ( -0.448 0.000 0.000) 0.448 9.502 ( -3.534 0.000 0.000) 3.534 9.502 ( 3.839 0.000 0.000) 3.839 9.510 ( -3.802 0.000 0.000) 3.802 9.573 ( -3.525 0.000 0.000) 3.525 10.653 ( 1.385 0.000 0.000) 1.385 10.721 ( -5.699 0.000 0.000) 5.699 10.989 ( -0.293 0.000 0.000) 0.293 11.006 ( -2.112 0.000 0.000) 2.112 11.465 ( 4.571 0.000 0.000) 4.571 11.524 ( -1.306 0.000 0.000) 1.306 11.649 ( 10.418 0.000 0.000) 10.418 11.808 ( -5.352 0.000 0.000) 5.352 12.118 ( 5.266 0.000 0.000) 5.266 12.155 ( 0.424 0.000 0.000) 0.424 12.164 ( 0.154 0.000 0.000) 0.154 12.235 ( -6.659 0.000 0.000) 6.659 12.393 ( 1.370 0.000 0.000) 1.370 12.456 ( -5.586 0.000 0.000) 5.586 13.378 ( 12.764 0.000 0.000) 12.764 13.600 ( -10.732 0.000 0.000) 10.732 13.679 ( 1.890 0.000 0.000) 1.890 13.711 ( -1.498 0.000 0.000) 1.498 14.155 ( 0.980 0.000 0.000) 0.980 14.178 ( -1.485 0.000 0.000) 1.485 14.897 ( 1.903 0.000 0.000) 1.903 14.930 ( -1.539 0.000 0.000) 1.539 15.973 ( 6.257 0.000 0.000) 6.257 16.090 ( -5.873 0.000 0.000) 5.873 18.547 ( 0.204 0.000 0.000) 0.204 18.551 ( -0.206 0.000 0.000) 0.206 19.272 ( 0.701 0.000 0.000) 0.701 19.285 ( -0.683 0.000 0.000) 0.683 20.421 ( 3.299 0.000 0.000) 3.299 20.489 ( -3.785 0.000 0.000) 3.785 21.753 ( 3.564 0.000 0.000) 3.564 21.810 ( -2.357 0.000 0.000) 2.357 22.252 ( 1.500 0.000 0.000) 1.500 22.277 ( -0.874 0.000 0.000) 0.874 22.328 ( 2.490 0.000 0.000) 2.490 22.411 ( -6.224 0.000 0.000) 6.224 23.041 ( 6.443 0.000 0.000) 6.443 23.140 ( -4.216 0.000 0.000) 4.216 24.177 ( 1.564 0.000 0.000) 1.564 24.206 ( -1.447 0.000 0.000) 1.447 ======================= Grid point 5 (4/90) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.574 ( 0.000 28.660 0.000) 28.660 0.634 ( 0.000 30.655 0.000) 30.655 1.182 ( 0.000 55.651 0.000) 55.651 2.303 ( 0.000 4.117 0.000) 4.117 2.524 ( 0.000 17.337 0.000) 17.337 2.544 ( 0.000 15.790 0.000) 15.790 3.335 ( 0.000 -1.125 0.000) 1.125 3.524 ( 0.000 -9.826 0.000) 9.826 3.576 ( 0.000 -6.127 0.000) 6.127 3.681 ( 0.000 -11.413 0.000) 11.413 3.752 ( 0.000 10.180 0.000) 10.180 3.785 ( 0.000 7.904 0.000) 7.904 4.016 ( 0.000 -10.895 0.000) 10.895 4.408 ( 0.000 15.851 0.000) 15.851 4.493 ( 0.000 4.904 0.000) 4.904 4.610 ( 0.000 -0.774 0.000) 0.774 4.658 ( 0.000 7.328 0.000) 7.328 5.004 ( 0.000 4.870 0.000) 4.870 5.075 ( 0.000 3.754 0.000) 3.754 5.169 ( 0.000 -12.098 0.000) 12.098 5.554 ( 0.000 -4.112 0.000) 4.112 5.615 ( 0.000 2.380 0.000) 2.380 5.671 ( 0.000 -6.685 0.000) 6.685 5.703 ( 0.000 9.643 0.000) 9.643 5.841 ( 0.000 2.217 0.000) 2.217 6.016 ( 0.000 2.639 0.000) 2.639 6.081 ( 0.000 9.436 0.000) 9.436 6.175 ( 0.000 1.401 0.000) 1.401 6.807 ( 0.000 7.492 0.000) 7.492 7.054 ( 0.000 -3.344 0.000) 3.344 7.076 ( 0.000 -0.910 0.000) 0.910 7.262 ( 0.000 10.834 0.000) 10.834 7.859 ( 0.000 -7.022 0.000) 7.022 7.959 ( 0.000 4.601 0.000) 4.601 7.967 ( 0.000 -0.415 0.000) 0.415 8.132 ( 0.000 2.099 0.000) 2.099 8.516 ( 0.000 -1.164 0.000) 1.164 8.556 ( 0.000 3.123 0.000) 3.123 9.122 ( 0.000 -1.564 0.000) 1.564 9.238 ( 0.000 -2.660 0.000) 2.660 9.372 ( 0.000 -3.113 0.000) 3.113 9.605 ( 0.000 -0.458 0.000) 0.458 9.758 ( 0.000 7.894 0.000) 7.894 10.311 ( 0.000 -6.491 0.000) 6.491 10.646 ( 0.000 -3.360 0.000) 3.360 10.788 ( 0.000 0.287 0.000) 0.287 10.875 ( 0.000 -13.603 0.000) 13.603 11.130 ( 0.000 -3.016 0.000) 3.016 11.184 ( 0.000 -7.452 0.000) 7.452 11.313 ( 0.000 -15.508 0.000) 15.508 11.511 ( 0.000 0.431 0.000) 0.431 11.575 ( 0.000 11.348 0.000) 11.348 11.843 ( 0.000 3.609 0.000) 3.609 11.973 ( 0.000 -9.404 0.000) 9.404 12.086 ( 0.000 -5.346 0.000) 5.346 12.155 ( 0.000 11.431 0.000) 11.431 12.372 ( 0.000 -1.809 0.000) 1.809 12.678 ( 0.000 16.237 0.000) 16.237 12.798 ( 0.000 4.507 0.000) 4.507 13.677 ( 0.000 -5.765 0.000) 5.765 13.793 ( 0.000 -2.990 0.000) 2.990 14.109 ( 0.000 -2.789 0.000) 2.789 14.167 ( 0.000 -2.786 0.000) 2.786 14.413 ( 0.000 -2.513 0.000) 2.513 14.899 ( 0.000 4.665 0.000) 4.665 14.973 ( 0.000 1.396 0.000) 1.396 15.378 ( 0.000 -1.776 0.000) 1.776 15.798 ( 0.000 -3.292 0.000) 3.292 18.672 ( 0.000 10.748 0.000) 10.748 19.351 ( 0.000 8.327 0.000) 8.327 19.364 ( 0.000 6.083 0.000) 6.083 20.335 ( 0.000 -1.897 0.000) 1.897 20.591 ( 0.000 1.491 0.000) 1.491 21.268 ( 0.000 1.410 0.000) 1.410 21.629 ( 0.000 -3.229 0.000) 3.229 21.640 ( 0.000 -1.421 0.000) 1.421 22.142 ( 0.000 -0.135 0.000) 0.135 22.216 ( 0.000 -0.271 0.000) 0.271 22.272 ( 0.000 0.242 0.000) 0.242 22.318 ( 0.000 -0.460 0.000) 0.460 22.778 ( 0.000 0.803 0.000) 0.803 23.034 ( 0.000 -1.022 0.000) 1.022 23.219 ( 0.000 0.276 0.000) 0.276 24.060 ( 0.000 -7.601 0.000) 7.601 ======================= Grid point 6 (5/90) ======================= q-point: ( 0.20 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( 21.014 19.646 0.000) 28.768 0.881 ( 21.825 22.047 0.000) 31.023 1.543 ( 31.450 39.889 0.000) 50.796 2.168 ( -10.986 5.130 0.000) 12.125 2.205 ( -19.296 16.846 0.000) 25.615 2.796 ( 12.004 15.591 0.000) 19.677 3.304 ( -4.510 4.979 0.000) 6.718 3.485 ( -2.875 -10.444 0.000) 10.833 3.550 ( -3.345 -2.655 0.000) 4.271 3.719 ( -13.705 -4.019 0.000) 14.282 3.751 ( 8.598 -2.158 0.000) 8.864 3.822 ( -1.115 -6.472 0.000) 6.568 3.971 ( 11.412 9.467 0.000) 14.828 4.293 ( -4.451 3.266 0.000) 5.521 4.571 ( -5.902 3.241 0.000) 6.733 4.673 ( 2.568 3.361 0.000) 4.230 4.676 ( 4.294 16.710 0.000) 17.253 4.980 ( 3.048 -2.999 0.000) 4.277 5.082 ( -1.927 0.697 0.000) 2.049 5.136 ( -1.780 -6.458 0.000) 6.699 5.415 ( -7.788 12.014 0.000) 14.317 5.435 ( -10.115 -2.571 0.000) 10.437 5.618 ( -5.441 -5.148 0.000) 7.490 5.635 ( -13.134 6.964 0.000) 14.865 5.761 ( 3.712 8.306 0.000) 9.098 5.867 ( -1.655 8.480 0.000) 8.640 6.277 ( 5.091 -0.314 0.000) 5.101 6.377 ( 5.775 -6.435 0.000) 8.646 6.897 ( 8.339 4.202 0.000) 9.338 7.065 ( 1.386 -1.638 0.000) 2.146 7.203 ( 11.693 -1.826 0.000) 11.835 7.286 ( 3.066 9.288 0.000) 9.780 7.660 ( -13.599 2.801 0.000) 13.884 7.890 ( -5.979 -2.457 0.000) 6.464 7.963 ( 0.535 5.008 0.000) 5.036 8.121 ( -3.086 5.924 0.000) 6.679 8.593 ( 7.329 -1.913 0.000) 7.574 8.620 ( 6.215 2.306 0.000) 6.629 9.145 ( 1.069 -5.970 0.000) 6.065 9.231 ( -0.976 -3.242 0.000) 3.385 9.398 ( 2.553 -3.099 0.000) 4.015 9.589 ( -1.835 -0.769 0.000) 1.990 9.718 ( -3.633 9.207 0.000) 9.898 9.954 ( -17.567 17.062 0.000) 24.489 10.596 ( -3.826 -6.113 0.000) 7.212 10.668 ( -5.788 -9.987 0.000) 11.543 10.916 ( 3.025 -9.538 0.000) 10.006 11.049 ( -1.275 -0.812 0.000) 1.512 11.344 ( 2.862 -15.028 0.000) 15.298 11.379 ( 1.122 -2.801 0.000) 3.017 11.617 ( 4.418 9.837 0.000) 10.784 11.815 ( 7.806 -16.932 0.000) 18.645 11.883 ( 2.491 -0.633 0.000) 2.571 12.001 ( -4.929 -3.160 0.000) 5.855 12.119 ( 14.680 -19.139 0.000) 24.121 12.270 ( 7.668 7.150 0.000) 10.484 12.361 ( -0.834 -0.008 0.000) 0.835 12.627 ( -3.078 15.384 0.000) 15.689 12.947 ( 14.409 1.913 0.000) 14.535 13.671 ( -1.357 -5.209 0.000) 5.383 13.735 ( -5.203 -2.869 0.000) 5.941 14.026 ( -16.266 6.711 0.000) 17.596 14.115 ( 0.632 -2.671 0.000) 2.745 14.216 ( -4.736 1.599 0.000) 4.999 14.910 ( 1.060 4.365 0.000) 4.492 14.968 ( -0.431 1.645 0.000) 1.700 15.692 ( 17.322 -18.494 0.000) 25.339 15.822 ( 2.406 -4.528 0.000) 5.128 18.695 ( 2.512 12.471 0.000) 12.721 19.309 ( -8.803 9.108 0.000) 12.667 19.360 ( 1.005 8.934 0.000) 8.991 19.804 ( -51.535 52.016 0.000) 73.223 20.373 ( 0.955 1.543 0.000) 1.814 20.562 ( -2.874 1.317 0.000) 3.162 21.657 ( 2.804 -3.245 0.000) 4.289 21.818 ( -0.373 -2.259 0.000) 2.290 22.222 ( 1.028 -0.597 0.000) 1.189 22.275 ( 0.335 0.036 0.000) 0.337 22.313 ( -0.476 -0.449 0.000) 0.654 22.473 ( -2.200 -7.226 0.000) 7.554 22.894 ( 9.071 -0.551 0.000) 9.088 23.200 ( -2.063 0.268 0.000) 2.081 23.607 ( 33.411 -31.220 0.000) 45.727 24.060 ( -0.180 -8.494 0.000) 8.496 ======================= Grid point 7 (6/90) ======================= q-point: ( 0.40 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( 23.143 11.036 0.000) 25.639 1.318 ( 22.058 14.503 0.000) 26.399 1.710 ( -15.305 14.312 0.000) 20.954 1.820 ( -21.528 17.750 0.000) 27.902 2.408 ( 37.621 16.038 0.000) 40.897 2.959 ( 0.228 10.709 0.000) 10.712 3.179 ( -7.718 12.024 0.000) 14.289 3.180 ( -26.282 9.760 0.000) 28.035 3.489 ( -0.637 -8.516 0.000) 8.540 3.503 ( -1.658 -6.499 0.000) 6.708 3.961 ( 10.304 1.142 0.000) 10.368 3.979 ( 8.614 0.670 0.000) 8.640 4.159 ( 6.369 -2.153 0.000) 6.723 4.213 ( -4.244 -4.494 0.000) 6.181 4.444 ( -2.783 6.150 0.000) 6.751 4.575 ( -11.052 8.345 0.000) 13.848 4.759 ( 6.744 3.225 0.000) 7.476 4.926 ( -10.641 2.572 0.000) 10.947 5.151 ( 6.819 -5.630 0.000) 8.843 5.156 ( 2.864 -4.866 0.000) 5.647 5.312 ( -0.502 0.116 0.000) 0.515 5.351 ( -1.585 7.214 0.000) 7.386 5.462 ( -4.935 10.530 0.000) 11.629 5.494 ( -6.902 0.187 0.000) 6.904 5.821 ( 2.387 7.067 0.000) 7.460 5.850 ( -0.922 7.132 0.000) 7.191 6.332 ( 1.929 -0.351 0.000) 1.961 6.376 ( -2.670 -1.007 0.000) 2.854 7.030 ( 4.943 1.718 0.000) 5.233 7.079 ( -0.528 0.362 0.000) 0.640 7.347 ( 5.355 4.649 0.000) 7.091 7.467 ( -7.802 2.812 0.000) 8.293 7.483 ( 14.922 -1.924 0.000) 15.045 7.733 ( -11.153 -3.396 0.000) 11.658 7.986 ( 2.088 6.500 0.000) 6.827 8.045 ( -4.171 8.041 0.000) 9.058 8.730 ( 5.483 -2.262 0.000) 5.932 8.739 ( 4.636 0.359 0.000) 4.650 9.154 ( 0.674 -7.336 0.000) 7.367 9.193 ( -2.967 -5.118 0.000) 5.916 9.460 ( 3.901 -3.301 0.000) 5.111 9.535 ( -3.852 -2.631 0.000) 4.664 9.673 ( 0.202 13.266 0.000) 13.267 9.741 ( -7.022 15.667 0.000) 17.169 10.548 ( -0.712 -8.736 0.000) 8.765 10.576 ( -3.636 -10.445 0.000) 11.060 10.966 ( 2.451 -4.030 0.000) 4.717 11.012 ( -2.502 -0.543 0.000) 2.560 11.393 ( 1.652 -13.000 0.000) 13.104 11.397 ( 0.866 -8.353 0.000) 8.398 11.731 ( 7.317 6.316 0.000) 9.666 11.847 ( -3.306 0.850 0.000) 3.413 11.892 ( 0.626 -8.866 0.000) 8.888 11.927 ( -2.958 -6.646 0.000) 7.275 12.262 ( 3.227 -11.651 0.000) 12.090 12.311 ( -2.173 -6.221 0.000) 6.590 12.437 ( 7.611 14.290 0.000) 16.191 12.559 ( -5.024 14.983 0.000) 15.803 13.259 ( 16.795 -4.105 0.000) 17.289 13.532 ( -12.185 -4.146 0.000) 12.871 13.711 ( 1.897 -1.602 0.000) 2.482 13.794 ( -7.778 4.198 0.000) 8.839 14.134 ( 1.391 -2.195 0.000) 2.599 14.166 ( -2.029 -1.317 0.000) 2.419 14.934 ( 1.330 3.566 0.000) 3.806 14.955 ( -0.927 2.520 0.000) 2.685 15.871 ( 2.166 -8.294 0.000) 8.572 15.871 ( 3.302 -14.627 0.000) 14.995 18.777 ( 6.856 18.132 0.000) 19.385 18.984 ( -16.684 27.068 0.000) 31.797 19.387 ( 1.858 10.931 0.000) 11.087 19.437 ( -4.420 17.148 0.000) 17.708 20.421 ( 3.528 0.472 0.000) 3.559 20.494 ( -4.099 0.884 0.000) 4.193 21.722 ( 3.808 -3.079 0.000) 4.897 21.786 ( -2.760 -2.481 0.000) 3.711 22.246 ( 1.530 -0.522 0.000) 1.616 22.272 ( -0.992 -0.427 0.000) 1.080 22.320 ( 1.928 -0.753 0.000) 2.070 22.385 ( -4.834 -2.436 0.000) 5.413 23.040 ( 6.654 -0.025 0.000) 6.654 23.142 ( -4.287 0.199 0.000) 4.292 23.957 ( 8.811 -19.618 0.000) 21.506 24.044 ( -1.945 -11.756 0.000) 11.916 ======================= Grid point 10 (7/90) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( 0.000 29.822 0.000) 29.822 1.255 ( 0.000 29.521 0.000) 29.521 2.227 ( 0.000 42.517 0.000) 42.517 2.434 ( 0.000 9.194 0.000) 9.194 2.888 ( 0.000 12.968 0.000) 12.968 2.949 ( 0.000 21.989 0.000) 21.989 3.252 ( 0.000 -6.484 0.000) 6.484 3.270 ( 0.000 -13.338 0.000) 13.338 3.427 ( 0.000 -5.974 0.000) 5.974 3.461 ( 0.000 -9.741 0.000) 9.741 3.881 ( 0.000 -0.004 0.000) 0.004 3.979 ( 0.000 9.781 0.000) 9.781 3.998 ( 0.000 10.618 0.000) 10.618 4.432 ( 0.000 -9.412 0.000) 9.412 4.601 ( 0.000 0.418 0.000) 0.418 4.714 ( 0.000 13.811 0.000) 13.811 4.853 ( 0.000 10.430 0.000) 10.430 4.923 ( 0.000 -10.482 0.000) 10.482 5.133 ( 0.000 3.195 0.000) 3.195 5.255 ( 0.000 12.604 0.000) 12.604 5.474 ( 0.000 -12.343 0.000) 12.343 5.477 ( 0.000 0.128 0.000) 0.128 5.615 ( 0.000 -2.412 0.000) 2.412 5.742 ( 0.000 -4.153 0.000) 4.153 6.084 ( 0.000 17.300 0.000) 17.300 6.106 ( 0.000 6.501 0.000) 6.501 6.219 ( 0.000 2.805 0.000) 2.805 6.309 ( 0.000 11.020 0.000) 11.020 6.960 ( 0.000 -5.328 0.000) 5.328 7.032 ( 0.000 14.339 0.000) 14.339 7.061 ( 0.000 -0.635 0.000) 0.635 7.549 ( 0.000 16.544 0.000) 16.544 7.725 ( 0.000 -5.310 0.000) 5.310 7.936 ( 0.000 -2.898 0.000) 2.898 8.075 ( 0.000 6.136 0.000) 6.136 8.125 ( 0.000 -3.042 0.000) 3.042 8.481 ( 0.000 -2.232 0.000) 2.232 8.662 ( 0.000 6.989 0.000) 6.989 9.076 ( 0.000 -2.857 0.000) 2.857 9.094 ( 0.000 -11.409 0.000) 11.409 9.297 ( 0.000 -3.407 0.000) 3.407 9.644 ( 0.000 3.983 0.000) 3.983 9.994 ( 0.000 14.538 0.000) 14.538 10.122 ( 0.000 -11.783 0.000) 11.783 10.545 ( 0.000 -6.592 0.000) 6.592 10.641 ( 0.000 -7.781 0.000) 7.781 10.784 ( 0.000 -0.834 0.000) 0.834 10.916 ( 0.000 -21.549 0.000) 21.549 11.040 ( 0.000 -7.133 0.000) 7.133 11.072 ( 0.000 -2.071 0.000) 2.071 11.334 ( 0.000 -12.646 0.000) 12.646 11.778 ( 0.000 8.781 0.000) 8.781 11.875 ( 0.000 -14.903 0.000) 14.903 11.933 ( 0.000 4.741 0.000) 4.741 11.973 ( 0.000 5.237 0.000) 5.237 12.329 ( 0.000 -2.742 0.000) 2.742 12.471 ( 0.000 17.875 0.000) 17.875 12.927 ( 0.000 7.640 0.000) 7.640 12.984 ( 0.000 13.135 0.000) 13.135 13.525 ( 0.000 -8.387 0.000) 8.387 13.724 ( 0.000 -3.051 0.000) 3.051 14.022 ( 0.000 -5.617 0.000) 5.617 14.092 ( 0.000 -4.083 0.000) 4.083 14.334 ( 0.000 -5.208 0.000) 5.208 15.016 ( 0.000 2.798 0.000) 2.798 15.033 ( 0.000 7.962 0.000) 7.962 15.327 ( 0.000 -3.138 0.000) 3.138 15.704 ( 0.000 -5.698 0.000) 5.698 18.956 ( 0.000 15.691 0.000) 15.691 19.537 ( 0.000 10.290 0.000) 10.290 19.539 ( 0.000 8.123 0.000) 8.123 20.274 ( 0.000 -4.129 0.000) 4.129 20.658 ( 0.000 5.652 0.000) 5.652 21.310 ( 0.000 2.595 0.000) 2.595 21.527 ( 0.000 -6.795 0.000) 6.795 21.597 ( 0.000 -2.736 0.000) 2.736 22.140 ( 0.000 0.036 0.000) 0.036 22.206 ( 0.000 -0.758 0.000) 0.758 22.278 ( 0.000 0.378 0.000) 0.378 22.307 ( 0.000 -0.539 0.000) 0.539 22.803 ( 0.000 1.705 0.000) 1.705 23.003 ( 0.000 -1.911 0.000) 1.911 23.236 ( 0.000 1.517 0.000) 1.517 23.855 ( 0.000 -11.608 0.000) 11.608 ======================= Grid point 11 (8/90) ======================= q-point: ( 0.20 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( 11.584 26.268 0.000) 28.709 1.382 ( 12.776 25.699 0.000) 28.700 2.276 ( -8.950 16.000 0.000) 18.333 2.447 ( 15.491 31.444 0.000) 35.053 2.586 ( -19.341 17.598 0.000) 26.149 3.142 ( 5.824 4.528 0.000) 7.377 3.259 ( -0.467 -8.053 0.000) 8.067 3.261 ( 2.572 0.241 0.000) 2.583 3.516 ( 8.583 -1.864 0.000) 8.783 3.575 ( 7.318 -9.993 0.000) 12.386 3.773 ( -7.959 4.012 0.000) 8.913 3.812 ( -6.970 9.029 0.000) 11.406 4.149 ( 5.977 5.652 0.000) 8.226 4.317 ( -7.378 -3.323 0.000) 8.092 4.614 ( -0.419 2.683 0.000) 2.715 4.829 ( 0.138 8.480 0.000) 8.481 4.894 ( 11.573 3.079 0.000) 11.976 4.951 ( 2.182 -7.442 0.000) 7.755 5.040 ( -9.792 9.840 0.000) 13.882 5.174 ( -7.858 5.732 0.000) 9.727 5.378 ( -7.563 0.454 0.000) 7.577 5.446 ( -2.958 -10.455 0.000) 10.865 5.568 ( -2.662 1.808 0.000) 3.218 5.698 ( -3.384 -0.350 0.000) 3.402 6.049 ( -1.709 16.291 0.000) 16.381 6.067 ( -2.179 9.553 0.000) 9.798 6.286 ( 3.992 1.731 0.000) 4.351 6.378 ( 3.740 5.082 0.000) 6.310 7.021 ( 4.585 -2.787 0.000) 5.366 7.066 ( 3.118 11.882 0.000) 12.284 7.162 ( 10.977 -1.772 0.000) 11.119 7.536 ( -1.163 14.659 0.000) 14.705 7.647 ( -6.933 -1.712 0.000) 7.141 7.841 ( -7.698 -3.005 0.000) 8.264 8.090 ( 1.615 6.778 0.000) 6.968 8.175 ( 2.397 -0.817 0.000) 2.532 8.538 ( 5.698 -3.306 0.000) 6.587 8.704 ( 3.893 5.878 0.000) 7.050 9.036 ( -3.167 -5.041 0.000) 5.954 9.091 ( -0.548 -10.563 0.000) 10.577 9.326 ( 2.615 -3.155 0.000) 4.098 9.602 ( -4.487 2.530 0.000) 5.151 9.986 ( -0.618 15.824 0.000) 15.836 10.079 ( -3.777 -5.036 0.000) 6.295 10.433 ( -6.661 -8.885 0.000) 11.105 10.574 ( -13.002 1.739 0.000) 13.118 10.745 ( 6.406 -6.706 0.000) 9.274 10.959 ( 4.204 -20.333 0.000) 20.763 10.996 ( -0.769 -3.041 0.000) 3.136 11.172 ( -1.957 -14.777 0.000) 14.906 11.464 ( 12.307 -13.346 0.000) 18.154 11.774 ( -1.051 -0.282 0.000) 1.088 11.873 ( 0.583 -4.449 0.000) 4.487 11.956 ( 1.682 4.522 0.000) 4.825 12.018 ( 4.497 2.820 0.000) 5.308 12.279 ( -3.718 -1.775 0.000) 4.120 12.574 ( 8.635 15.540 0.000) 17.778 12.906 ( -1.561 11.450 0.000) 11.556 13.066 ( 7.942 8.378 0.000) 11.543 13.541 ( 1.655 -7.140 0.000) 7.329 13.667 ( -5.873 -2.940 0.000) 6.567 14.016 ( -9.090 -3.661 0.000) 9.800 14.029 ( 0.830 -5.657 0.000) 5.718 14.215 ( -8.039 -2.655 0.000) 8.466 15.021 ( 0.539 3.459 0.000) 3.500 15.036 ( 0.255 7.550 0.000) 7.554 15.455 ( 10.266 -7.587 0.000) 12.766 15.705 ( -0.023 -6.559 0.000) 6.559 19.004 ( 5.176 16.254 0.000) 17.058 19.497 ( -4.502 10.379 0.000) 11.314 19.567 ( 3.102 9.144 0.000) 9.656 20.219 ( -9.820 -1.606 0.000) 9.951 20.628 ( -3.027 5.823 0.000) 6.563 20.691 ( -29.997 23.299 0.000) 37.982 21.553 ( 2.694 -6.968 0.000) 7.471 21.737 ( 0.642 -5.821 0.000) 5.856 22.205 ( 1.338 -0.961 0.000) 1.647 22.276 ( -0.272 0.081 0.000) 0.284 22.302 ( -0.500 -0.562 0.000) 0.752 22.312 ( 4.783 -6.816 0.000) 8.327 22.896 ( 8.598 0.890 0.000) 8.644 23.216 ( -2.130 1.468 0.000) 2.587 23.220 ( 20.284 -10.222 0.000) 22.714 23.836 ( -2.181 -12.318 0.000) 12.509 ======================= Grid point 12 (9/90) ======================= q-point: ( 0.40 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( 15.073 19.328 0.000) 24.511 1.654 ( 11.453 18.084 0.000) 21.405 2.053 ( -8.427 17.816 0.000) 19.708 2.215 ( -19.348 18.940 0.000) 27.075 2.855 ( 24.243 21.863 0.000) 32.645 3.182 ( 0.678 -12.947 0.000) 12.965 3.229 ( -2.322 -9.311 0.000) 9.596 3.251 ( -11.964 15.273 0.000) 19.401 3.506 ( -1.316 11.342 0.000) 11.418 3.570 ( -4.122 14.840 0.000) 15.402 3.875 ( 13.111 -6.093 0.000) 14.458 3.898 ( 13.512 -5.192 0.000) 14.475 4.160 ( -6.089 0.117 0.000) 6.090 4.166 ( -9.837 -1.585 0.000) 9.964 4.583 ( 1.275 6.895 0.000) 7.012 4.741 ( -14.784 7.677 0.000) 16.658 4.909 ( 6.384 10.404 0.000) 12.206 5.008 ( 4.645 -7.825 0.000) 9.099 5.013 ( -4.594 0.071 0.000) 4.594 5.094 ( -1.252 4.217 0.000) 4.399 5.299 ( 1.443 -0.537 0.000) 1.540 5.377 ( -4.335 -4.831 0.000) 6.490 5.562 ( 1.863 4.262 0.000) 4.652 5.624 ( -4.279 4.129 0.000) 5.946 6.034 ( -0.125 12.338 0.000) 12.339 6.041 ( -0.805 10.322 0.000) 10.353 6.347 ( 2.988 2.352 0.000) 3.802 6.395 ( -1.573 3.137 0.000) 3.509 7.096 ( 3.067 1.345 0.000) 3.349 7.115 ( 1.245 6.581 0.000) 6.698 7.409 ( 13.228 -1.817 0.000) 13.352 7.521 ( 0.635 9.004 0.000) 9.026 7.532 ( -4.402 4.091 0.000) 6.009 7.669 ( -10.926 -3.160 0.000) 11.374 8.132 ( 2.757 6.914 0.000) 7.444 8.179 ( -1.723 4.166 0.000) 4.508 8.664 ( 6.833 -4.017 0.000) 7.926 8.749 ( -0.995 0.575 0.000) 1.149 9.010 ( 1.470 -6.653 0.000) 6.813 9.063 ( -2.671 -8.026 0.000) 8.459 9.388 ( 4.336 -2.602 0.000) 5.057 9.492 ( -6.500 -0.328 0.000) 6.508 9.984 ( 0.650 15.018 0.000) 15.032 10.014 ( -2.685 6.872 0.000) 7.378 10.354 ( -1.235 -8.833 0.000) 8.919 10.398 ( -5.932 -3.742 0.000) 7.014 10.856 ( 5.747 -6.200 0.000) 8.454 10.954 ( -4.202 -3.988 0.000) 5.793 11.043 ( 4.147 -18.205 0.000) 18.671 11.109 ( -3.330 -17.125 0.000) 17.446 11.640 ( 6.405 -13.119 0.000) 14.599 11.728 ( -3.589 -10.418 0.000) 11.019 11.911 ( 3.094 5.965 0.000) 6.720 11.961 ( -1.554 5.438 0.000) 5.656 12.116 ( 5.348 -1.349 0.000) 5.516 12.205 ( -4.284 -2.626 0.000) 5.024 12.740 ( 8.260 14.857 0.000) 16.999 12.857 ( -4.190 13.499 0.000) 14.134 13.262 ( 12.355 3.476 0.000) 12.834 13.485 ( -10.417 0.060 0.000) 10.417 13.630 ( 5.521 -5.967 0.000) 8.130 13.796 ( -11.813 -2.961 0.000) 12.178 14.057 ( 2.193 -5.400 0.000) 5.829 14.112 ( -3.820 -4.217 0.000) 5.689 15.033 ( 0.586 4.901 0.000) 4.935 15.039 ( -0.036 6.432 0.000) 6.432 15.617 ( 6.382 -9.977 0.000) 11.843 15.691 ( -1.911 -8.584 0.000) 8.794 19.149 ( 10.276 16.631 0.000) 19.550 19.357 ( -10.510 13.173 0.000) 16.852 19.660 ( 7.315 12.465 0.000) 14.453 19.879 ( -17.699 16.065 0.000) 23.903 20.500 ( 0.936 10.022 0.000) 10.066 20.558 ( -4.070 6.561 0.000) 7.721 21.620 ( 4.190 -7.086 0.000) 8.232 21.697 ( -3.741 -6.468 0.000) 7.472 22.233 ( 1.668 -0.691 0.000) 1.805 22.262 ( -1.298 -0.474 0.000) 1.382 22.299 ( 0.509 -1.181 0.000) 1.286 22.320 ( -1.401 -3.530 0.000) 3.798 23.047 ( 7.080 0.878 0.000) 7.134 23.155 ( -4.519 1.265 0.000) 4.693 23.570 ( 14.741 -16.038 0.000) 21.783 23.761 ( -6.444 -14.309 0.000) 15.693 ======================= Grid point 15 (10/90) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( 0.000 28.883 0.000) 28.883 1.839 ( 0.000 27.027 0.000) 27.027 2.615 ( 0.000 8.839 0.000) 8.839 2.690 ( 0.000 -2.559 0.000) 2.559 2.813 ( 0.000 -18.338 0.000) 18.338 3.083 ( 0.000 -9.748 0.000) 9.748 3.141 ( 0.000 0.074 0.000) 0.074 3.259 ( 0.000 -4.349 0.000) 4.349 3.409 ( 0.000 16.986 0.000) 16.986 3.611 ( 0.000 27.545 0.000) 27.545 4.015 ( 0.000 2.212 0.000) 2.212 4.126 ( 0.000 2.523 0.000) 2.523 4.137 ( 0.000 4.724 0.000) 4.724 4.248 ( 0.000 1.683 0.000) 1.683 4.581 ( 0.000 -5.465 0.000) 5.465 4.789 ( 0.000 -1.561 0.000) 1.561 4.949 ( 0.000 -6.206 0.000) 6.206 5.016 ( 0.000 -0.224 0.000) 0.224 5.045 ( 0.000 6.468 0.000) 6.468 5.229 ( 0.000 -4.724 0.000) 4.724 5.514 ( 0.000 10.885 0.000) 10.885 5.520 ( 0.000 -6.663 0.000) 6.663 5.594 ( 0.000 -9.790 0.000) 9.790 5.612 ( 0.000 7.905 0.000) 7.905 6.284 ( 0.000 9.991 0.000) 9.991 6.288 ( 0.000 4.128 0.000) 4.128 6.382 ( 0.000 8.373 0.000) 8.373 6.472 ( 0.000 3.870 0.000) 3.870 6.880 ( 0.000 -0.359 0.000) 0.359 7.040 ( 0.000 -1.930 0.000) 1.930 7.380 ( 0.000 18.349 0.000) 18.349 7.662 ( 0.000 -0.479 0.000) 0.479 7.847 ( 0.000 -5.532 0.000) 5.532 7.924 ( 0.000 19.449 0.000) 19.449 8.002 ( 0.000 -8.915 0.000) 8.915 8.197 ( 0.000 5.476 0.000) 5.476 8.426 ( 0.000 -2.952 0.000) 2.952 8.789 ( 0.000 -17.586 0.000) 17.586 8.816 ( 0.000 6.934 0.000) 6.934 9.006 ( 0.000 -3.799 0.000) 3.799 9.287 ( 0.000 4.107 0.000) 4.107 9.766 ( 0.000 8.191 0.000) 8.191 9.830 ( 0.000 -16.231 0.000) 16.231 10.259 ( 0.000 7.786 0.000) 7.786 10.340 ( 0.000 -15.258 0.000) 15.258 10.526 ( 0.000 -12.820 0.000) 12.820 10.653 ( 0.000 11.823 0.000) 11.823 10.760 ( 0.000 -0.973 0.000) 0.973 10.878 ( 0.000 -7.693 0.000) 7.693 11.054 ( 0.000 0.221 0.000) 0.221 11.144 ( 0.000 -5.445 0.000) 5.445 11.500 ( 0.000 -20.912 0.000) 20.912 11.952 ( 0.000 8.224 0.000) 8.224 12.025 ( 0.000 3.919 0.000) 3.919 12.066 ( 0.000 2.891 0.000) 2.891 12.247 ( 0.000 -5.361 0.000) 5.361 12.836 ( 0.000 16.692 0.000) 16.692 13.094 ( 0.000 7.996 0.000) 7.996 13.193 ( 0.000 6.369 0.000) 6.369 13.345 ( 0.000 -9.155 0.000) 9.155 13.691 ( 0.000 0.339 0.000) 0.339 13.886 ( 0.000 -7.257 0.000) 7.257 14.028 ( 0.000 -1.183 0.000) 1.183 14.205 ( 0.000 -7.002 0.000) 7.002 15.085 ( 0.000 3.807 0.000) 3.807 15.212 ( 0.000 9.173 0.000) 9.173 15.253 ( 0.000 -3.938 0.000) 3.938 15.567 ( 0.000 -7.487 0.000) 7.487 19.275 ( 0.000 14.462 0.000) 14.462 19.625 ( 0.000 -0.444 0.000) 0.444 19.766 ( 0.000 11.457 0.000) 11.457 20.161 ( 0.000 -6.912 0.000) 6.912 20.837 ( 0.000 11.553 0.000) 11.553 21.348 ( 0.000 -10.552 0.000) 10.552 21.373 ( 0.000 3.477 0.000) 3.477 21.530 ( 0.000 -3.687 0.000) 3.687 22.146 ( 0.000 0.531 0.000) 0.531 22.185 ( 0.000 -1.142 0.000) 1.142 22.286 ( 0.000 0.345 0.000) 0.345 22.298 ( 0.000 -0.351 0.000) 0.351 22.847 ( 0.000 2.466 0.000) 2.466 22.957 ( 0.000 -2.539 0.000) 2.539 23.292 ( 0.000 4.175 0.000) 4.175 23.614 ( 0.000 -11.170 0.000) 11.170 ======================= Grid point 16 (11/90) ======================= q-point: ( 0.20 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.847 ( 6.261 26.862 0.000) 27.582 1.910 ( 7.184 25.180 0.000) 26.185 2.547 ( -6.802 13.360 0.000) 14.991 2.752 ( 6.358 -8.123 0.000) 10.316 2.806 ( -1.316 -12.112 0.000) 12.183 2.915 ( -14.984 3.942 0.000) 15.494 3.091 ( 0.819 -9.203 0.000) 9.240 3.347 ( 4.381 -11.604 0.000) 12.404 3.558 ( 10.624 13.956 0.000) 17.540 3.716 ( 10.606 25.499 0.000) 27.617 3.941 ( -4.930 4.967 0.000) 6.998 4.007 ( -7.468 8.390 0.000) 11.232 4.180 ( 0.207 -1.759 0.000) 1.771 4.234 ( -1.743 3.273 0.000) 3.708 4.653 ( 5.795 -2.825 0.000) 6.447 4.778 ( -0.809 -3.558 0.000) 3.649 4.918 ( -3.709 -12.786 0.000) 13.313 5.021 ( 1.249 0.195 0.000) 1.264 5.075 ( 1.300 9.951 0.000) 10.036 5.240 ( 1.456 -2.737 0.000) 3.100 5.378 ( -12.322 9.737 0.000) 15.705 5.472 ( -8.028 3.218 0.000) 8.649 5.532 ( 1.498 -5.019 0.000) 5.238 5.645 ( 0.346 -3.419 0.000) 3.436 6.268 ( -1.240 10.129 0.000) 10.205 6.294 ( -0.558 6.503 0.000) 6.527 6.384 ( 0.929 6.496 0.000) 6.562 6.478 ( 0.139 2.487 0.000) 2.491 6.978 ( 8.634 0.078 0.000) 8.634 7.125 ( 8.950 -2.410 0.000) 9.269 7.360 ( -2.485 14.984 0.000) 15.189 7.652 ( -0.498 3.094 0.000) 3.134 7.753 ( -7.330 -5.014 0.000) 8.880 7.873 ( -4.638 17.408 0.000) 18.015 8.085 ( 5.933 -8.003 0.000) 9.963 8.221 ( 1.486 5.196 0.000) 5.404 8.465 ( 4.524 -3.134 0.000) 5.504 8.814 ( 2.420 -15.497 0.000) 15.685 8.832 ( 0.831 5.177 0.000) 5.244 8.944 ( -5.604 -3.532 0.000) 6.624 9.318 ( 3.135 4.083 0.000) 5.148 9.703 ( -6.335 7.652 0.000) 9.934 9.848 ( 2.096 -15.152 0.000) 15.297 10.224 ( -9.371 -12.192 0.000) 15.377 10.285 ( 2.512 9.412 0.000) 9.742 10.559 ( 3.481 -12.302 0.000) 12.785 10.648 ( -8.952 3.452 0.000) 9.595 10.743 ( 7.000 6.052 0.000) 9.253 10.872 ( -2.625 -10.706 0.000) 11.023 10.991 ( -3.701 1.422 0.000) 3.964 11.243 ( 6.979 -8.902 0.000) 11.311 11.480 ( -1.964 -19.437 0.000) 19.536 11.982 ( 2.821 7.245 0.000) 7.774 12.045 ( 1.577 3.670 0.000) 3.994 12.084 ( 1.836 2.333 0.000) 2.969 12.224 ( -2.173 -3.823 0.000) 4.397 12.903 ( 6.446 15.382 0.000) 16.679 13.109 ( 1.009 8.615 0.000) 8.674 13.229 ( 4.147 5.641 0.000) 7.002 13.380 ( 3.791 -8.573 0.000) 9.374 13.646 ( -4.640 1.473 0.000) 4.869 13.888 ( 0.387 -7.797 0.000) 7.807 13.949 ( -8.507 -1.533 0.000) 8.644 14.117 ( -7.474 -6.275 0.000) 9.759 15.106 ( 2.054 4.714 0.000) 5.142 15.207 ( -0.583 8.834 0.000) 8.853 15.323 ( 6.253 -5.738 0.000) 8.486 15.558 ( -1.110 -7.724 0.000) 7.803 19.324 ( 5.153 14.235 0.000) 15.139 19.667 ( 4.488 -0.190 0.000) 4.492 19.726 ( -4.245 11.410 0.000) 12.174 20.122 ( -4.765 -6.869 0.000) 8.360 20.820 ( -1.611 12.566 0.000) 12.669 21.082 ( -18.729 15.510 0.000) 24.317 21.368 ( 2.070 -11.065 0.000) 11.257 21.579 ( -1.262 -9.329 0.000) 9.414 22.187 ( 1.964 -0.637 0.000) 2.064 22.217 ( 3.049 -2.678 0.000) 4.059 22.279 ( -0.804 0.164 0.000) 0.821 22.291 ( -0.692 -0.441 0.000) 0.821 22.930 ( 7.852 2.375 0.000) 8.204 23.076 ( 11.489 -5.001 0.000) 12.530 23.270 ( -2.344 4.036 0.000) 4.667 23.587 ( -3.000 -11.262 0.000) 11.655 ======================= Grid point 17 (12/90) ======================= q-point: ( 0.40 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( 8.138 21.963 0.000) 23.423 2.052 ( 4.582 20.185 0.000) 20.698 2.438 ( -1.201 19.532 0.000) 19.569 2.591 ( -14.786 18.204 0.000) 23.452 2.845 ( 1.498 -18.421 0.000) 18.482 2.853 ( 2.295 -16.091 0.000) 16.254 3.152 ( 7.249 -7.309 0.000) 10.294 3.322 ( -7.878 -12.110 0.000) 14.447 3.725 ( 7.842 11.889 0.000) 14.242 3.861 ( -6.083 10.576 0.000) 12.201 3.964 ( 7.514 5.548 0.000) 9.341 3.965 ( 11.964 18.976 0.000) 22.433 4.127 ( -6.277 -2.858 0.000) 6.897 4.163 ( -6.660 6.823 0.000) 9.535 4.733 ( 4.841 8.414 0.000) 9.707 4.804 ( 2.966 -12.810 0.000) 13.149 4.841 ( -3.949 -11.283 0.000) 11.954 4.936 ( -13.232 8.525 0.000) 15.740 5.100 ( 7.842 0.891 0.000) 7.893 5.276 ( 1.717 1.370 0.000) 2.197 5.281 ( -0.527 1.719 0.000) 1.798 5.288 ( -9.913 6.490 0.000) 11.848 5.576 ( 3.014 -3.192 0.000) 4.390 5.629 ( -2.123 -3.493 0.000) 4.088 6.253 ( -0.132 10.174 0.000) 10.175 6.267 ( -1.542 9.717 0.000) 9.838 6.420 ( 2.464 3.246 0.000) 4.075 6.463 ( -1.810 1.733 0.000) 2.506 7.140 ( 8.287 3.294 0.000) 8.918 7.278 ( -6.229 8.191 0.000) 10.291 7.343 ( 13.020 -4.346 0.000) 13.727 7.567 ( -10.367 -5.031 0.000) 11.523 7.696 ( 2.875 10.735 0.000) 11.114 7.777 ( -5.182 14.919 0.000) 15.794 8.179 ( 3.840 -5.066 0.000) 6.357 8.225 ( -1.159 0.199 0.000) 1.176 8.592 ( 8.578 -1.323 0.000) 8.680 8.759 ( -8.459 0.710 0.000) 8.489 8.864 ( 2.416 -10.644 0.000) 10.915 8.890 ( -0.442 -4.916 0.000) 4.936 9.406 ( 6.518 5.460 0.000) 8.503 9.554 ( -8.831 6.796 0.000) 11.143 9.916 ( 5.313 -12.760 0.000) 13.822 10.047 ( -8.701 -10.895 0.000) 13.943 10.360 ( 5.398 8.858 0.000) 10.373 10.485 ( -7.966 7.376 0.000) 10.857 10.650 ( 6.096 -11.978 0.000) 13.440 10.775 ( -6.797 -12.120 0.000) 13.896 10.860 ( 5.235 2.807 0.000) 5.940 10.935 ( -3.014 2.302 0.000) 3.793 11.357 ( 5.011 -13.739 0.000) 14.625 11.432 ( -3.197 -16.810 0.000) 17.112 12.036 ( 2.507 5.527 0.000) 6.069 12.062 ( -0.120 4.047 0.000) 4.048 12.127 ( 2.599 0.831 0.000) 2.729 12.177 ( -2.683 -1.298 0.000) 2.981 13.032 ( 6.174 13.150 0.000) 14.528 13.106 ( -1.740 10.680 0.000) 10.820 13.347 ( 7.896 2.502 0.000) 8.283 13.465 ( 0.555 -7.816 0.000) 7.835 13.559 ( 0.652 5.121 0.000) 5.162 13.736 ( -12.794 -0.753 0.000) 12.816 13.912 ( 2.545 -8.527 0.000) 8.898 13.989 ( -5.715 -7.580 0.000) 9.493 15.151 ( 2.424 6.393 0.000) 6.837 15.188 ( -1.528 7.868 0.000) 8.015 15.440 ( 5.615 -7.706 0.000) 9.535 15.521 ( -3.043 -8.096 0.000) 8.649 19.456 ( 8.448 13.240 0.000) 15.706 19.612 ( -7.724 11.840 0.000) 14.136 19.790 ( 8.679 -0.270 0.000) 8.683 19.975 ( -10.240 -3.406 0.000) 10.792 20.794 ( -0.549 15.558 0.000) 15.568 20.839 ( -6.768 19.437 0.000) 20.582 21.424 ( 3.970 -11.966 0.000) 12.608 21.510 ( -4.884 -11.805 0.000) 12.775 22.222 ( 1.926 -0.310 0.000) 1.951 22.256 ( -1.615 -0.112 0.000) 1.619 22.256 ( 1.286 -2.372 0.000) 2.698 22.275 ( -0.926 -1.042 0.000) 1.394 23.083 ( 7.683 2.756 0.000) 8.163 23.202 ( -5.038 3.555 0.000) 6.166 23.313 ( 12.148 -9.406 0.000) 15.364 23.494 ( -7.214 -11.140 0.000) 13.272 ======================= Grid point 20 (13/90) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.350 ( 0.000 -25.543 0.000) 25.543 2.350 ( 0.000 25.543 0.000) 25.543 2.351 ( 0.000 -22.048 0.000) 22.048 2.351 ( 0.000 22.048 0.000) 22.048 2.862 ( 0.000 -11.384 0.000) 11.384 2.862 ( 0.000 11.384 0.000) 11.384 3.165 ( 0.000 -2.824 0.000) 2.824 3.165 ( 0.000 2.824 0.000) 2.824 3.775 ( 0.000 -16.744 0.000) 16.744 3.775 ( 0.000 16.744 0.000) 16.744 4.129 ( 0.000 -5.589 0.000) 5.589 4.129 ( 0.000 5.589 0.000) 5.589 4.273 ( 0.000 -20.531 0.000) 20.531 4.273 ( 0.000 20.531 0.000) 20.531 4.592 ( 0.000 -20.758 0.000) 20.758 4.592 ( 0.000 20.758 0.000) 20.758 4.856 ( 0.000 -7.244 0.000) 7.244 4.856 ( 0.000 7.244 0.000) 7.244 5.335 ( 0.000 -14.473 0.000) 14.473 5.335 ( 0.000 14.473 0.000) 14.473 5.352 ( 0.000 -9.212 0.000) 9.212 5.352 ( 0.000 9.212 0.000) 9.212 5.671 ( 0.000 -2.842 0.000) 2.842 5.671 ( 0.000 2.842 0.000) 2.842 6.389 ( 0.000 -4.774 0.000) 4.774 6.389 ( 0.000 4.774 0.000) 4.774 6.456 ( 0.000 -5.287 0.000) 5.287 6.456 ( 0.000 5.287 0.000) 5.287 6.962 ( 0.000 -5.602 0.000) 5.602 6.962 ( 0.000 5.602 0.000) 5.602 7.685 ( 0.000 -2.664 0.000) 2.664 7.685 ( 0.000 2.664 0.000) 2.664 7.780 ( 0.000 -7.632 0.000) 7.632 7.780 ( 0.000 7.632 0.000) 7.632 8.258 ( 0.000 -4.676 0.000) 4.676 8.258 ( 0.000 4.676 0.000) 4.676 8.432 ( 0.000 -11.390 0.000) 11.390 8.432 ( 0.000 11.390 0.000) 11.390 8.925 ( 0.000 -4.149 0.000) 4.149 8.925 ( 0.000 4.149 0.000) 4.149 9.494 ( 0.000 -14.930 0.000) 14.930 9.494 ( 0.000 14.930 0.000) 14.930 10.000 ( 0.000 -14.799 0.000) 14.799 10.000 ( 0.000 14.799 0.000) 14.799 10.363 ( 0.000 -5.101 0.000) 5.101 10.363 ( 0.000 5.101 0.000) 5.101 10.770 ( 0.000 -2.530 0.000) 2.530 10.770 ( 0.000 2.530 0.000) 2.530 11.044 ( 0.000 -22.459 0.000) 22.459 11.044 ( 0.000 22.459 0.000) 22.459 11.075 ( 0.000 -1.908 0.000) 1.908 11.075 ( 0.000 1.908 0.000) 1.908 12.082 ( 0.000 -1.247 0.000) 1.247 12.082 ( 0.000 1.247 0.000) 1.247 12.114 ( 0.000 -7.368 0.000) 7.368 12.114 ( 0.000 7.368 0.000) 7.368 13.133 ( 0.000 -12.042 0.000) 12.042 13.133 ( 0.000 12.042 0.000) 12.042 13.222 ( 0.000 -3.380 0.000) 3.380 13.222 ( 0.000 3.380 0.000) 3.380 13.750 ( 0.000 -5.250 0.000) 5.250 13.750 ( 0.000 5.250 0.000) 5.250 14.070 ( 0.000 -5.156 0.000) 5.156 14.070 ( 0.000 5.156 0.000) 5.156 15.169 ( 0.000 -4.177 0.000) 4.177 15.169 ( 0.000 4.177 0.000) 4.177 15.399 ( 0.000 -8.782 0.000) 8.782 15.399 ( 0.000 8.782 0.000) 8.782 19.523 ( 0.000 -9.030 0.000) 9.030 19.523 ( 0.000 9.030 0.000) 9.030 19.989 ( 0.000 -9.829 0.000) 9.829 19.989 ( 0.000 9.829 0.000) 9.829 21.101 ( 0.000 -13.117 0.000) 13.117 21.101 ( 0.000 13.117 0.000) 13.117 21.450 ( 0.000 -3.934 0.000) 3.934 21.450 ( 0.000 3.934 0.000) 3.934 22.162 ( 0.000 -1.034 0.000) 1.034 22.162 ( 0.000 1.034 0.000) 1.034 22.292 ( 0.000 -0.264 0.000) 0.264 22.292 ( 0.000 0.264 0.000) 0.264 22.902 ( 0.000 -2.765 0.000) 2.765 22.902 ( 0.000 2.765 0.000) 2.765 23.415 ( 0.000 -7.905 0.000) 7.905 23.415 ( 0.000 7.905 0.000) 7.905 ======================= Grid point 22 (14/90) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.375 ( 2.665 -24.081 0.000) 24.228 2.375 ( 2.665 24.081 0.000) 24.228 2.398 ( 4.433 -21.583 0.000) 22.034 2.398 ( 4.433 21.583 0.000) 22.034 2.842 ( -1.604 -13.864 0.000) 13.956 2.842 ( -1.604 13.864 0.000) 13.956 3.115 ( -5.429 -10.734 0.000) 12.029 3.115 ( -5.429 10.734 0.000) 12.029 3.813 ( 4.085 -11.212 0.000) 11.933 3.813 ( 4.085 11.212 0.000) 11.933 4.104 ( -2.967 -5.620 0.000) 6.355 4.104 ( -2.967 5.620 0.000) 6.355 4.331 ( 6.002 -24.505 0.000) 25.229 4.331 ( 6.002 24.505 0.000) 25.229 4.556 ( -3.176 -20.031 0.000) 20.281 4.556 ( -3.176 20.031 0.000) 20.281 4.863 ( 1.131 -8.379 0.000) 8.455 4.863 ( 1.131 8.379 0.000) 8.455 5.322 ( -3.374 -11.213 0.000) 11.710 5.322 ( -3.374 11.213 0.000) 11.710 5.380 ( 2.851 -9.226 0.000) 9.657 5.380 ( 2.851 9.226 0.000) 9.657 5.578 ( -7.209 -5.119 0.000) 8.842 5.578 ( -7.209 5.119 0.000) 8.842 6.405 ( 1.044 -3.913 0.000) 4.050 6.405 ( 1.044 3.913 0.000) 4.050 6.444 ( -1.059 -5.778 0.000) 5.874 6.444 ( -1.059 5.778 0.000) 5.874 7.045 ( 8.340 -5.000 0.000) 9.724 7.045 ( 8.340 5.000 0.000) 9.724 7.594 ( -7.258 -7.931 0.000) 10.751 7.594 ( -7.258 7.931 0.000) 10.751 7.860 ( 5.885 -12.578 0.000) 13.887 7.860 ( 5.885 12.578 0.000) 13.887 8.189 ( -5.504 -10.537 0.000) 11.888 8.189 ( -5.504 10.537 0.000) 11.888 8.519 ( 7.258 -10.477 0.000) 12.745 8.519 ( 7.258 10.477 0.000) 12.745 8.894 ( -3.345 -1.787 0.000) 3.792 8.894 ( -3.345 1.787 0.000) 3.792 9.523 ( 3.265 -14.727 0.000) 15.085 9.523 ( 3.265 14.727 0.000) 15.085 9.927 ( -7.088 -13.949 0.000) 15.647 9.927 ( -7.088 13.949 0.000) 15.647 10.399 ( 3.542 -4.659 0.000) 5.853 10.399 ( 3.542 4.659 0.000) 5.853 10.718 ( -5.104 -4.500 0.000) 6.805 10.718 ( -5.104 4.500 0.000) 6.805 11.058 ( 1.278 -20.366 0.000) 20.406 11.058 ( 1.278 20.366 0.000) 20.406 11.084 ( 0.643 -6.573 0.000) 6.604 11.084 ( 0.643 6.573 0.000) 6.604 12.096 ( 1.360 -1.125 0.000) 1.765 12.096 ( 1.360 1.125 0.000) 1.765 12.121 ( 0.626 -6.055 0.000) 6.088 12.121 ( 0.626 6.055 0.000) 6.088 13.180 ( 4.611 -11.323 0.000) 12.226 13.180 ( 4.611 11.323 0.000) 12.226 13.247 ( 2.461 -3.862 0.000) 4.580 13.247 ( 2.461 3.862 0.000) 4.580 13.732 ( -1.539 -6.559 0.000) 6.737 13.732 ( -1.539 6.559 0.000) 6.737 13.989 ( -7.960 -5.126 0.000) 9.468 13.989 ( -7.960 5.126 0.000) 9.468 15.210 ( 3.897 -5.308 0.000) 6.585 15.210 ( 3.897 5.308 0.000) 6.585 15.389 ( -1.138 -8.643 0.000) 8.717 15.389 ( -1.138 8.643 0.000) 8.717 19.567 ( 4.670 -8.891 0.000) 10.043 19.567 ( 4.670 8.891 0.000) 10.043 19.948 ( -4.309 -9.856 0.000) 10.757 19.948 ( -4.309 9.856 0.000) 10.757 21.105 ( 0.607 -14.056 0.000) 14.069 21.105 ( 0.607 14.056 0.000) 14.069 21.360 ( -8.008 -11.909 0.000) 14.351 21.360 ( -8.008 11.909 0.000) 14.351 22.186 ( 2.042 -0.632 0.000) 2.138 22.186 ( 2.042 0.632 0.000) 2.138 22.283 ( -0.914 -0.302 0.000) 0.963 22.283 ( -0.914 0.302 0.000) 0.963 22.991 ( 8.450 -3.499 0.000) 9.145 22.991 ( 8.450 3.499 0.000) 9.145 23.390 ( -2.757 -7.719 0.000) 8.196 23.390 ( -2.757 7.719 0.000) 8.196 ======================= Grid point 24 (15/90) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.438 ( 3.456 -20.938 0.000) 21.221 2.438 ( 3.456 20.938 0.000) 21.221 2.467 ( 1.391 -19.721 0.000) 19.770 2.467 ( 1.391 19.721 0.000) 19.770 2.847 ( 3.633 -18.752 0.000) 19.100 2.847 ( 3.633 18.752 0.000) 19.100 2.976 ( -8.622 -18.827 0.000) 20.707 2.976 ( -8.622 18.827 0.000) 20.707 3.915 ( 6.237 -6.525 0.000) 9.026 3.915 ( 6.237 6.525 0.000) 9.026 4.025 ( -5.273 -5.945 0.000) 7.946 4.025 ( -5.273 5.945 0.000) 7.946 4.444 ( 4.568 -21.938 0.000) 22.408 4.444 ( 4.568 21.938 0.000) 22.408 4.500 ( -2.487 -19.363 0.000) 19.522 4.500 ( -2.487 19.363 0.000) 19.522 4.937 ( 8.070 -10.757 0.000) 13.447 4.937 ( 8.070 10.757 0.000) 13.447 5.152 ( -13.066 -9.686 0.000) 16.265 5.152 ( -13.066 9.686 0.000) 16.265 5.444 ( 3.487 -9.031 0.000) 9.681 5.444 ( 3.487 9.031 0.000) 9.681 5.496 ( -2.361 -8.881 0.000) 9.189 5.496 ( -2.361 8.881 0.000) 9.189 6.416 ( 0.313 -4.106 0.000) 4.118 6.416 ( 0.313 4.106 0.000) 4.118 6.425 ( -0.787 -5.555 0.000) 5.611 6.425 ( -0.787 5.555 0.000) 5.611 7.236 ( 11.164 -5.581 0.000) 12.481 7.236 ( 11.164 5.581 0.000) 12.481 7.435 ( -9.813 -7.194 0.000) 12.167 7.435 ( -9.813 7.194 0.000) 12.167 7.972 ( 6.014 -13.725 0.000) 14.985 7.972 ( 6.014 13.725 0.000) 14.985 8.082 ( -5.825 -12.932 0.000) 14.184 8.082 ( -5.825 12.932 0.000) 14.184 8.665 ( 7.973 -7.705 0.000) 11.087 8.665 ( 7.973 7.705 0.000) 11.087 8.802 ( -6.407 -3.492 0.000) 7.297 8.802 ( -6.407 3.492 0.000) 7.297 9.618 ( 6.889 -14.114 0.000) 15.706 9.618 ( 6.889 14.114 0.000) 15.706 9.770 ( -8.968 -13.518 0.000) 16.222 9.770 ( -8.968 13.518 0.000) 16.222 10.486 ( 5.686 -4.929 0.000) 7.525 10.486 ( 5.686 4.929 0.000) 7.525 10.603 ( -6.640 -5.382 0.000) 8.547 10.603 ( -6.640 5.382 0.000) 8.547 11.081 ( 1.002 -16.051 0.000) 16.083 11.081 ( 1.002 16.051 0.000) 16.083 11.091 ( -0.005 -11.495 0.000) 11.495 11.091 ( -0.005 11.495 0.000) 11.495 12.121 ( 1.024 -1.598 0.000) 1.898 12.121 ( 1.024 1.598 0.000) 1.898 12.129 ( 0.111 -3.442 0.000) 3.444 12.129 ( 0.111 3.442 0.000) 3.444 13.273 ( 4.079 -10.392 0.000) 11.164 13.273 ( 4.079 10.392 0.000) 11.164 13.293 ( 1.667 -7.014 0.000) 7.209 13.293 ( 1.667 7.014 0.000) 7.209 13.721 ( 1.580 -9.429 0.000) 9.561 13.721 ( 1.580 9.429 0.000) 9.561 13.821 ( -8.592 -7.813 0.000) 11.613 13.821 ( -8.592 7.813 0.000) 11.613 15.290 ( 4.168 -7.044 0.000) 8.184 15.290 ( 4.168 7.044 0.000) 8.184 15.354 ( -2.663 -8.140 0.000) 8.564 15.354 ( -2.663 8.140 0.000) 8.564 19.686 ( 7.720 -8.797 0.000) 11.703 19.686 ( 7.720 8.797 0.000) 11.703 19.834 ( -7.576 -9.350 0.000) 12.034 19.834 ( -7.576 9.350 0.000) 12.034 21.132 ( 2.659 -16.069 0.000) 16.288 21.132 ( 2.659 16.069 0.000) 16.288 21.216 ( -6.454 -16.609 0.000) 17.819 21.216 ( -6.454 16.609 0.000) 17.819 22.225 ( 2.040 -0.724 0.000) 2.164 22.225 ( 2.040 0.724 0.000) 2.164 22.259 ( -1.622 -0.485 0.000) 1.693 22.259 ( -1.622 0.485 0.000) 1.693 23.165 ( 9.167 -5.362 0.000) 10.620 23.165 ( 9.167 5.362 0.000) 10.620 23.309 ( -6.068 -6.976 0.000) 9.246 23.309 ( -6.068 6.976 0.000) 9.246 ======================= Grid point 45 (16/90) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.585 ( 0.000 0.000 28.925) 28.925 0.640 ( 0.000 0.000 31.514) 31.514 1.213 ( 0.000 0.000 58.580) 58.580 2.349 ( 0.000 0.000 8.258) 8.258 2.367 ( 0.000 0.000 3.796) 3.796 2.397 ( 0.000 0.000 3.100) 3.100 3.299 ( 0.000 0.000 -2.816) 2.816 3.565 ( 0.000 0.000 -6.502) 6.502 3.566 ( 0.000 0.000 -2.447) 2.447 3.600 ( 0.000 0.000 -7.964) 7.964 3.783 ( 0.000 0.000 8.229) 8.229 3.896 ( 0.000 0.000 2.844) 2.844 4.166 ( 0.000 0.000 -0.597) 0.597 4.188 ( 0.000 0.000 -3.771) 3.771 4.241 ( 0.000 0.000 -6.525) 6.525 4.619 ( 0.000 0.000 3.395) 3.395 4.743 ( 0.000 0.000 10.761) 10.761 5.022 ( 0.000 0.000 -2.932) 2.932 5.025 ( 0.000 0.000 7.288) 7.288 5.143 ( 0.000 0.000 6.262) 6.262 5.303 ( 0.000 0.000 0.123) 0.123 5.523 ( 0.000 0.000 -7.106) 7.106 5.580 ( 0.000 0.000 -0.011) 0.011 5.714 ( 0.000 0.000 -2.828) 2.828 5.722 ( 0.000 0.000 -8.067) 8.067 5.744 ( 0.000 0.000 -2.207) 2.207 6.058 ( 0.000 0.000 4.107) 4.107 6.229 ( 0.000 0.000 3.560) 3.560 6.629 ( 0.000 0.000 -8.408) 8.408 7.075 ( 0.000 0.000 -1.340) 1.340 7.161 ( 0.000 0.000 2.596) 2.596 7.196 ( 0.000 0.000 6.868) 6.868 7.590 ( 0.000 0.000 5.114) 5.114 7.847 ( 0.000 0.000 -4.348) 4.348 7.996 ( 0.000 0.000 2.041) 2.041 8.018 ( 0.000 0.000 -5.882) 5.882 8.556 ( 0.000 0.000 3.315) 3.315 9.014 ( 0.000 0.000 -0.100) 0.100 9.144 ( 0.000 0.000 0.503) 0.503 9.264 ( 0.000 0.000 0.890) 0.890 9.287 ( 0.000 0.000 -0.632) 0.632 9.355 ( 0.000 0.000 -4.926) 4.926 9.504 ( 0.000 0.000 -12.989) 12.989 9.588 ( 0.000 0.000 -5.291) 5.291 10.419 ( 0.000 0.000 2.386) 2.386 10.837 ( 0.000 0.000 -16.404) 16.404 10.858 ( 0.000 0.000 -16.468) 16.468 11.257 ( 0.000 0.000 -5.567) 5.567 11.514 ( 0.000 0.000 12.246) 12.246 11.553 ( 0.000 0.000 5.402) 5.402 11.609 ( 0.000 0.000 8.892) 8.892 11.666 ( 0.000 0.000 -14.777) 14.777 11.721 ( 0.000 0.000 -10.850) 10.850 12.032 ( 0.000 0.000 -7.250) 7.250 12.081 ( 0.000 0.000 4.592) 4.592 12.186 ( 0.000 0.000 -1.699) 1.699 12.455 ( 0.000 0.000 6.293) 6.293 12.914 ( 0.000 0.000 11.763) 11.763 13.005 ( 0.000 0.000 -0.135) 0.135 13.608 ( 0.000 0.000 -2.430) 2.430 13.725 ( 0.000 0.000 -1.522) 1.522 13.800 ( 0.000 0.000 -2.981) 2.981 14.115 ( 0.000 0.000 -2.800) 2.800 14.244 ( 0.000 0.000 4.355) 4.355 15.015 ( 0.000 0.000 4.664) 4.664 15.360 ( 0.000 0.000 -3.094) 3.094 15.907 ( 0.000 0.000 6.844) 6.844 16.932 ( 0.000 0.000 -0.809) 0.809 18.557 ( 0.000 0.000 1.556) 1.556 18.580 ( 0.000 0.000 2.300) 2.300 19.234 ( 0.000 0.000 -2.143) 2.143 19.286 ( 0.000 0.000 -1.442) 1.442 20.369 ( 0.000 0.000 1.474) 1.474 20.591 ( 0.000 0.000 1.306) 1.306 21.221 ( 0.000 0.000 -3.044) 3.044 21.695 ( 0.000 0.000 -1.249) 1.249 22.179 ( 0.000 0.000 3.410) 3.410 22.272 ( 0.000 0.000 4.982) 4.982 22.361 ( 0.000 0.000 3.313) 3.313 22.754 ( 0.000 0.000 -1.540) 1.540 23.040 ( 0.000 0.000 0.128) 0.128 23.256 ( 0.000 0.000 3.398) 3.398 23.474 ( 0.000 0.000 -4.575) 4.575 24.504 ( 0.000 0.000 -6.230) 6.230 ======================= Grid point 46 (17/90) ======================= q-point: ( 0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.820 ( 21.142 0.000 19.998) 29.102 0.973 ( 24.354 0.000 24.179) 34.318 1.513 ( 29.436 0.000 41.884) 51.193 2.064 ( -18.586 0.000 5.228) 19.307 2.237 ( -9.196 0.000 10.956) 14.304 2.640 ( 12.159 0.000 1.733) 12.282 3.198 ( -8.724 0.000 -2.138) 8.982 3.547 ( 0.457 0.000 -2.243) 2.289 3.608 ( -1.756 0.000 -2.507) 3.061 3.677 ( 6.717 0.000 -8.265) 10.650 3.708 ( -13.975 0.000 -3.747) 14.469 3.934 ( 2.842 0.000 2.639) 3.878 3.968 ( 0.211 0.000 9.586) 9.588 4.239 ( 0.302 0.000 -5.546) 5.554 4.414 ( 9.032 0.000 -0.933) 9.080 4.561 ( -5.796 0.000 4.221) 7.170 4.693 ( -1.915 0.000 2.103) 2.845 5.036 ( 3.500 0.000 0.429) 3.526 5.115 ( 7.005 0.000 1.910) 7.260 5.127 ( -0.058 0.000 9.961) 9.961 5.281 ( -2.912 0.000 -2.602) 3.905 5.418 ( -7.403 0.000 -3.528) 8.201 5.542 ( -16.920 0.000 -0.756) 16.937 5.630 ( -4.738 0.000 -3.296) 5.772 5.663 ( 1.848 0.000 -2.493) 3.103 5.753 ( 0.133 0.000 -2.203) 2.207 6.235 ( 8.669 0.000 -4.955) 9.986 6.359 ( 4.741 0.000 -5.932) 7.594 6.688 ( 8.799 0.000 -10.717) 13.866 7.075 ( -1.316 0.000 -2.394) 2.731 7.243 ( 4.841 0.000 6.633) 8.212 7.282 ( 12.209 0.000 2.542) 12.470 7.564 ( -2.900 0.000 4.903) 5.696 7.856 ( 1.017 0.000 -3.448) 3.595 7.956 ( -6.489 0.000 -4.473) 7.881 7.975 ( -2.082 0.000 1.707) 2.692 8.602 ( 5.125 0.000 2.364) 5.644 8.811 ( -3.542 0.000 9.627) 10.258 9.264 ( 0.170 0.000 0.500) 0.528 9.285 ( -0.176 0.000 -0.358) 0.398 9.382 ( 2.708 0.000 -4.912) 5.609 9.391 ( 6.811 0.000 -10.448) 12.472 9.463 ( -3.917 0.000 -11.696) 12.335 9.569 ( -2.028 0.000 -5.281) 5.657 10.519 ( 7.602 0.000 -1.642) 7.777 10.826 ( -0.973 0.000 -15.632) 15.662 10.845 ( -1.240 0.000 -16.151) 16.198 11.105 ( -17.304 0.000 6.664) 18.543 11.400 ( 5.077 0.000 -4.384) 6.708 11.535 ( 2.246 0.000 11.169) 11.393 11.626 ( 1.185 0.000 8.420) 8.503 11.734 ( 1.563 0.000 -9.700) 9.825 11.890 ( 4.941 0.000 -19.559) 20.173 11.996 ( -2.991 0.000 -10.262) 10.689 12.102 ( 2.397 0.000 5.008) 5.553 12.294 ( 8.904 0.000 1.260) 8.993 12.410 ( -4.600 0.000 6.239) 7.752 12.863 ( -11.040 0.000 9.405) 14.503 13.103 ( 15.382 0.000 1.813) 15.488 13.623 ( 1.561 0.000 -2.300) 2.780 13.717 ( -0.845 0.000 -1.585) 1.796 13.765 ( -4.173 0.000 -0.943) 4.278 14.114 ( 0.090 0.000 -2.237) 2.239 14.223 ( -2.249 0.000 2.711) 3.522 15.002 ( -1.187 0.000 4.565) 4.717 15.166 ( -13.536 0.000 8.438) 15.951 15.951 ( 4.513 0.000 7.170) 8.472 16.505 ( -22.197 0.000 18.734) 29.046 18.560 ( 0.214 0.000 1.621) 1.635 18.577 ( -0.229 0.000 2.222) 2.234 19.239 ( 0.529 0.000 -2.069) 2.136 19.281 ( -0.487 0.000 -1.503) 1.580 20.381 ( 1.778 0.000 1.174) 2.131 20.575 ( -2.568 0.000 2.120) 3.330 21.509 ( 14.727 0.000 -15.222) 21.180 21.724 ( 2.287 0.000 -3.240) 3.966 22.209 ( 2.485 0.000 1.521) 2.913 22.295 ( 2.371 0.000 4.411) 5.008 22.348 ( -1.274 0.000 3.447) 3.675 22.645 ( -10.283 0.000 1.893) 10.456 22.992 ( 1.661 0.000 5.126) 5.388 23.205 ( -2.483 0.000 1.053) 2.697 23.767 ( 17.005 0.000 -14.681) 22.466 24.371 ( -10.246 0.000 -1.724) 10.391 ======================= Grid point 47 (18/90) ======================= q-point: ( 0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( 24.174 0.000 11.898) 26.944 1.406 ( 22.264 0.000 22.117) 31.382 1.688 ( -21.852 0.000 7.680) 23.163 1.767 ( -13.035 0.000 18.887) 22.949 2.422 ( 36.420 0.000 17.220) 40.285 2.842 ( 9.895 0.000 0.091) 9.895 3.022 ( -9.679 0.000 -1.138) 9.746 3.144 ( -36.456 0.000 6.892) 37.102 3.574 ( 2.240 0.000 0.009) 2.240 3.620 ( -2.281 0.000 0.504) 2.336 3.817 ( 7.774 0.000 -6.762) 10.303 3.935 ( -3.751 0.000 -2.454) 4.482 4.157 ( 14.821 0.000 -2.000) 14.955 4.291 ( 5.812 0.000 0.130) 5.813 4.405 ( -9.392 0.000 -4.138) 10.264 4.428 ( -7.907 0.000 4.001) 8.862 4.786 ( 10.636 0.000 3.259) 11.124 5.017 ( -12.934 0.000 7.838) 15.124 5.136 ( 6.778 0.000 -0.809) 6.827 5.243 ( 1.971 0.000 -1.370) 2.400 5.264 ( 0.590 0.000 -1.434) 1.551 5.285 ( 1.552 0.000 -0.886) 1.788 5.324 ( -6.374 0.000 1.013) 6.454 5.469 ( -10.301 0.000 -2.299) 10.555 5.718 ( 2.297 0.000 -2.839) 3.652 5.746 ( -0.862 0.000 -2.467) 2.613 6.311 ( 1.975 0.000 -2.645) 3.301 6.353 ( -2.537 0.000 -3.055) 3.971 6.886 ( 9.630 0.000 -10.163) 14.001 7.019 ( -4.853 0.000 -5.440) 7.291 7.358 ( 6.950 0.000 5.884) 9.107 7.482 ( -5.843 0.000 5.037) 7.715 7.540 ( 14.279 0.000 1.254) 14.334 7.785 ( -11.566 0.000 -1.619) 11.679 7.885 ( 2.036 0.000 -1.460) 2.505 7.929 ( -2.631 0.000 0.494) 2.677 8.731 ( 7.204 0.000 0.761) 7.244 8.809 ( -0.463 0.000 3.657) 3.686 9.271 ( 0.465 0.000 0.145) 0.487 9.279 ( -0.417 0.000 -0.070) 0.422 9.398 ( -1.720 0.000 -8.381) 8.555 9.413 ( -1.973 0.000 -7.249) 7.513 9.445 ( 3.873 0.000 -5.054) 6.367 9.516 ( -3.513 0.000 -5.216) 6.289 10.653 ( 7.393 0.000 1.125) 7.478 10.813 ( -0.230 0.000 -14.938) 14.940 10.821 ( -1.062 0.000 -15.291) 15.328 10.827 ( -11.925 0.000 5.611) 13.179 11.561 ( 10.024 0.000 -7.627) 12.596 11.588 ( 2.976 0.000 9.193) 9.662 11.629 ( -1.125 0.000 8.099) 8.177 11.716 ( -5.080 0.000 -8.788) 10.151 11.917 ( 0.871 0.000 -17.353) 17.375 11.950 ( -2.069 0.000 -15.234) 15.374 12.177 ( 5.683 0.000 5.743) 8.079 12.299 ( -6.830 0.000 6.104) 9.160 12.460 ( 9.097 0.000 5.520) 10.641 12.646 ( -11.113 0.000 8.867) 14.217 13.401 ( 14.926 0.000 2.391) 15.116 13.634 ( -9.925 0.000 2.235) 10.173 13.659 ( 2.052 0.000 -2.026) 2.883 13.694 ( -1.629 0.000 -1.764) 2.400 14.127 ( 1.487 0.000 -1.579) 2.169 14.170 ( -2.971 0.000 0.035) 2.971 14.983 ( -0.396 0.000 4.955) 4.971 15.009 ( -3.833 0.000 6.715) 7.732 16.066 ( 7.572 0.000 8.364) 11.282 16.230 ( -10.401 0.000 11.832) 15.754 18.565 ( 0.352 0.000 1.796) 1.830 18.572 ( -0.361 0.000 2.025) 2.057 19.253 ( 0.833 0.000 -1.883) 2.059 19.268 ( -0.808 0.000 -1.667) 1.853 20.433 ( 3.633 0.000 1.354) 3.877 20.508 ( -4.179 0.000 1.952) 4.613 21.679 ( 5.487 0.000 -8.036) 9.730 21.740 ( -1.129 0.000 -5.231) 5.351 22.258 ( 2.809 0.000 1.522) 3.195 22.309 ( -2.362 0.000 2.382) 3.354 22.361 ( 4.157 0.000 4.239) 5.937 22.469 ( -7.737 0.000 3.718) 8.584 23.067 ( 4.864 0.000 2.090) 5.294 23.149 ( -3.739 0.000 0.845) 3.833 24.014 ( 10.517 0.000 -10.528) 14.882 24.191 ( -9.125 0.000 -4.604) 10.221 ======================= Grid point 50 (19/90) ======================= q-point: ( 0.00 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( 0.000 20.055 20.832) 28.916 1.059 ( 0.000 24.300 25.787) 35.433 1.533 ( 0.000 34.666 37.215) 50.860 2.368 ( 0.000 3.868 7.268) 8.233 2.566 ( 0.000 16.976 3.821) 17.401 2.577 ( 0.000 15.891 3.137) 16.198 3.333 ( 0.000 0.321 -0.445) 0.549 3.470 ( 0.000 -8.234 -7.161) 10.912 3.509 ( 0.000 -5.282 -1.190) 5.414 3.644 ( 0.000 0.854 -4.366) 4.448 3.804 ( 0.000 3.893 3.539) 5.261 3.858 ( 0.000 0.745 4.467) 4.529 4.010 ( 0.000 -8.555 0.686) 8.582 4.404 ( 0.000 16.766 -0.964) 16.793 4.407 ( 0.000 7.606 -6.830) 10.223 4.669 ( 0.000 -2.091 5.320) 5.716 4.723 ( 0.000 3.713 4.732) 6.015 4.950 ( 0.000 -4.000 -3.052) 5.031 5.059 ( 0.000 4.716 -1.142) 4.853 5.236 ( 0.000 -3.114 7.056) 7.712 5.445 ( 0.000 2.008 -7.493) 7.757 5.554 ( 0.000 4.837 -4.892) 6.879 5.636 ( 0.000 -1.778 -3.805) 4.200 5.677 ( 0.000 0.287 -2.787) 2.802 5.788 ( 0.000 8.214 -3.204) 8.817 5.940 ( 0.000 16.052 -6.947) 17.490 6.067 ( 0.000 1.502 3.495) 3.804 6.237 ( 0.000 0.870 4.162) 4.252 6.691 ( 0.000 7.599 -8.906) 11.707 7.042 ( 0.000 -3.117 -1.162) 3.326 7.126 ( 0.000 -1.443 2.919) 3.256 7.321 ( 0.000 9.998 5.609) 11.464 7.777 ( 0.000 10.767 -4.744) 11.766 7.813 ( 0.000 -4.425 -3.756) 5.804 7.970 ( 0.000 2.672 -0.140) 2.676 8.088 ( 0.000 2.442 -3.324) 4.124 8.545 ( 0.000 -1.314 3.483) 3.723 8.754 ( 0.000 -7.648 8.992) 11.804 9.124 ( 0.000 -1.890 0.165) 1.897 9.216 ( 0.000 -4.459 -2.774) 5.252 9.316 ( 0.000 -3.465 -5.965) 6.899 9.553 ( 0.000 -2.818 -6.942) 7.492 9.617 ( 0.000 9.935 -9.072) 13.454 9.810 ( 0.000 25.889 -23.725) 35.116 10.360 ( 0.000 -5.577 2.342) 6.049 10.725 ( 0.000 -9.995 -12.209) 15.779 10.775 ( 0.000 -5.888 -18.024) 18.962 11.168 ( 0.000 -6.743 -2.239) 7.105 11.370 ( 0.000 -19.133 4.857) 19.739 11.471 ( 0.000 -14.385 1.279) 14.442 11.521 ( 0.000 -5.059 -1.194) 5.198 11.647 ( 0.000 9.089 7.562) 11.823 11.716 ( 0.000 -0.534 -11.257) 11.270 12.038 ( 0.000 -4.737 5.853) 7.530 12.066 ( 0.000 1.746 -2.342) 2.921 12.225 ( 0.000 11.973 6.801) 13.770 12.630 ( 0.000 -14.729 14.068) 20.368 12.668 ( 0.000 14.071 0.153) 14.072 12.933 ( 0.000 1.660 10.857) 10.983 13.654 ( 0.000 -5.884 -2.200) 6.282 13.768 ( 0.000 -2.919 -2.848) 4.078 13.997 ( 0.000 15.681 -13.009) 20.375 14.124 ( 0.000 1.945 -2.715) 3.340 14.219 ( 0.000 -2.270 4.802) 5.312 15.023 ( 0.000 0.868 4.267) 4.354 15.342 ( 0.000 -1.674 -2.977) 3.415 15.732 ( 0.000 -42.732 41.663) 59.681 15.870 ( 0.000 -3.543 6.559) 7.454 18.690 ( 0.000 10.667 1.740) 10.808 19.328 ( 0.000 8.185 -2.028) 8.432 19.354 ( 0.000 6.642 -1.181) 6.747 20.065 ( 0.000 61.345 -60.136) 85.905 20.350 ( 0.000 -1.778 1.339) 2.225 20.598 ( 0.000 0.938 0.790) 1.226 21.231 ( 0.000 0.987 -3.428) 3.567 21.664 ( 0.000 -2.977 -1.374) 3.279 22.178 ( 0.000 -0.071 3.472) 3.472 22.267 ( 0.000 -0.473 4.899) 4.922 22.357 ( 0.000 -0.301 3.444) 3.457 22.735 ( 0.000 -2.422 -0.935) 2.596 23.035 ( 0.000 -0.510 0.523) 0.730 23.178 ( 0.000 -20.653 17.424) 27.021 23.252 ( 0.000 -0.329 2.910) 2.928 24.158 ( 0.000 -18.045 4.888) 18.695 ======================= Grid point 51 (20/90) ======================= q-point: ( 0.20 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( 17.721 17.475 17.588) 30.475 1.206 ( 14.133 17.985 25.193) 34.027 1.794 ( 22.988 27.766 26.261) 44.599 2.254 ( -16.316 13.252 6.092) 21.885 2.281 ( -8.754 8.698 9.716) 15.706 2.821 ( 11.392 15.719 2.296) 19.548 3.293 ( -5.016 6.489 -1.271) 8.299 3.449 ( -0.846 -7.871 -2.611) 8.336 3.525 ( -1.021 -6.491 -2.883) 7.176 3.635 ( -10.294 -3.038 -3.846) 11.401 3.739 ( 8.074 2.504 -4.213) 9.445 3.907 ( -5.223 -4.658 8.428) 10.955 4.041 ( 10.537 4.283 4.993) 12.422 4.248 ( -5.934 6.260 -3.926) 9.477 4.587 ( 6.815 7.780 -3.656) 10.970 4.624 ( -5.646 5.811 3.459) 8.810 4.719 ( -2.009 5.996 1.371) 6.470 4.983 ( 3.934 -6.944 -2.084) 8.249 5.051 ( 1.518 0.566 -0.415) 1.672 5.187 ( -5.428 -3.026 5.462) 8.274 5.338 ( -5.410 2.702 -3.350) 6.913 5.491 ( -4.974 6.878 0.288) 8.493 5.593 ( -6.554 -2.356 -2.155) 7.291 5.625 ( -9.617 3.466 -1.631) 10.352 5.740 ( 1.918 9.129 -1.408) 9.434 5.841 ( -2.134 9.377 -1.921) 9.806 6.239 ( 7.454 0.923 -3.710) 8.378 6.326 ( 4.199 -1.748 -1.642) 4.835 6.755 ( 7.232 6.776 -10.233) 14.246 7.047 ( -0.081 -2.017 -2.211) 2.994 7.252 ( 11.706 -2.357 2.579) 12.216 7.344 ( 2.703 8.671 5.655) 10.699 7.657 ( -8.038 4.093 1.124) 9.090 7.834 ( -1.792 -1.301 -3.761) 4.364 7.963 ( -0.481 4.161 -0.700) 4.247 8.067 ( -2.135 4.630 -3.176) 6.007 8.599 ( 5.707 -0.515 2.428) 6.223 8.754 ( 1.360 -3.190 7.649) 8.398 9.136 ( 0.516 -5.772 -0.903) 5.865 9.203 ( -1.542 -4.803 -3.266) 6.009 9.344 ( 2.606 -3.419 -5.530) 7.005 9.528 ( -2.640 -3.249 -7.911) 8.951 9.602 ( -1.066 11.279 -6.612) 13.118 9.743 ( -5.235 19.831 -13.355) 24.475 10.447 ( 5.887 -6.637 -2.184) 9.137 10.691 ( -2.993 -11.429 -11.527) 16.506 10.781 ( 0.278 -4.169 -15.306) 15.866 11.018 ( -10.622 -7.663 3.795) 13.636 11.356 ( 2.802 -6.022 -4.220) 7.869 11.467 ( 0.936 -13.104 5.704) 14.323 11.656 ( 2.190 8.278 5.037) 9.934 11.702 ( 5.561 -11.838 -9.470) 16.148 11.753 ( 3.775 -3.482 -11.487) 12.583 11.981 ( -5.971 2.488 -2.004) 6.772 12.092 ( 4.899 -3.726 3.791) 7.228 12.330 ( 7.403 9.261 6.000) 13.288 12.561 ( -5.959 -0.309 5.330) 8.001 12.692 ( 1.080 1.032 7.988) 8.127 13.051 ( 12.127 0.684 8.655) 14.915 13.652 ( -0.566 -5.309 -1.968) 5.690 13.726 ( -4.076 -2.275 -1.561) 4.922 13.914 ( -7.773 12.879 -7.795) 16.943 14.108 ( -0.305 -1.143 -0.250) 1.209 14.213 ( -1.607 -0.516 2.312) 2.862 15.015 ( -0.748 1.290 4.021) 4.289 15.136 ( -11.414 -2.215 9.153) 14.797 15.885 ( 5.039 -14.064 11.461) 18.829 15.915 ( 6.588 -20.311 15.041) 26.119 18.711 ( 2.318 12.271 1.586) 12.588 19.272 ( -11.824 14.300 -4.045) 18.991 19.343 ( 0.708 9.237 -1.763) 9.431 19.572 ( -23.454 45.122 -16.455) 53.450 20.369 ( 2.185 -0.800 0.565) 2.394 20.582 ( -2.858 0.922 1.616) 3.410 21.496 ( 12.944 -1.406 -14.232) 19.290 21.698 ( 2.514 -2.603 -3.823) 5.264 22.209 ( 2.553 0.027 1.650) 3.040 22.289 ( 2.242 -0.611 4.368) 4.948 22.344 ( -1.287 -0.321 3.575) 3.813 22.615 ( -10.019 -3.118 3.455) 11.047 22.979 ( 2.649 -1.107 5.543) 6.242 23.199 ( -1.702 -0.428 0.491) 1.822 23.564 ( 20.835 -16.440 -3.489) 26.769 24.123 ( -3.602 -15.826 2.335) 16.398 ======================= Grid point 52 (21/90) ======================= q-point: ( 0.40 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( 21.937 14.192 13.644) 29.475 1.520 ( 17.805 11.206 21.054) 29.763 1.869 ( -15.108 11.508 13.892) 23.530 1.898 ( -19.393 16.534 8.260) 26.790 2.535 ( 32.231 12.288 12.869) 36.816 2.981 ( 2.311 11.124 2.092) 11.553 3.152 ( -11.987 10.969 -1.253) 16.296 3.212 ( -18.174 7.179 2.005) 19.643 3.485 ( 2.536 -6.767 1.039) 7.301 3.544 ( -3.257 -5.986 1.420) 6.961 3.913 ( 9.740 6.351 -4.393) 12.430 3.982 ( 8.522 -2.224 1.696) 8.969 4.116 ( -3.159 3.110 -3.525) 5.663 4.201 ( -1.385 -6.708 -0.845) 6.901 4.481 ( -3.995 6.210 2.768) 7.885 4.560 ( -8.338 8.339 -0.959) 11.832 4.778 ( 9.862 1.387 1.575) 10.083 4.983 ( -9.928 -0.574 3.627) 10.586 5.105 ( 2.836 -4.993 -2.852) 6.412 5.136 ( 2.484 -4.846 -2.095) 5.835 5.305 ( 3.076 0.776 -0.126) 3.175 5.406 ( -4.754 6.832 4.101) 9.279 5.452 ( -3.329 8.543 -1.080) 9.232 5.494 ( -6.049 3.942 -0.170) 7.222 5.790 ( 2.393 7.215 -2.612) 8.038 5.821 ( -1.018 7.433 -2.480) 7.901 6.309 ( 1.883 0.180 -2.221) 2.917 6.341 ( -1.422 -0.537 -2.493) 2.920 6.913 ( 7.917 3.048 -9.256) 12.556 7.019 ( -3.408 0.258 -5.447) 6.430 7.404 ( 4.949 3.694 5.011) 7.953 7.482 ( 3.608 -0.748 2.182) 4.282 7.546 ( 2.933 1.462 3.821) 5.034 7.730 ( -8.970 -2.892 -0.685) 9.450 7.971 ( 1.535 6.313 -1.282) 6.622 8.016 ( -2.970 6.690 -2.027) 7.595 8.730 ( 6.751 -0.399 1.055) 6.845 8.790 ( 0.696 -1.497 3.459) 3.832 9.136 ( -0.068 -7.605 -1.702) 7.793 9.159 ( -2.583 -6.049 -3.312) 7.364 9.402 ( 3.422 -3.900 -5.930) 7.879 9.467 ( -3.540 -3.877 -7.279) 8.974 9.599 ( 1.197 13.604 -4.524) 14.386 9.652 ( -4.219 15.458 -6.263) 17.204 10.531 ( 3.893 -9.565 -1.542) 10.441 10.614 ( -4.906 -11.765 -4.314) 13.457 10.802 ( 2.314 -2.411 -12.239) 12.687 10.870 ( -5.293 -2.227 -6.222) 8.467 11.430 ( 3.896 -10.201 -1.755) 11.060 11.474 ( -0.738 -13.131 2.648) 13.415 11.716 ( 4.043 7.138 1.746) 8.387 11.750 ( 0.834 -3.419 -8.699) 9.384 11.801 ( 1.455 -7.761 -10.732) 13.324 11.867 ( -5.798 1.204 -3.536) 6.897 12.207 ( 7.093 -1.243 1.989) 7.471 12.344 ( -6.644 0.716 3.617) 7.599 12.552 ( 5.935 8.122 6.239) 11.837 12.660 ( -4.393 5.918 7.408) 10.450 13.322 ( 14.968 -3.114 5.109) 16.119 13.559 ( -9.850 -3.769 1.569) 10.662 13.698 ( 1.870 -1.278 -1.301) 2.612 13.774 ( -6.228 4.681 -1.999) 8.043 14.121 ( 1.603 -0.938 -0.467) 1.916 14.165 ( -2.905 -0.577 0.511) 3.005 15.001 ( -0.435 1.920 4.000) 4.458 15.015 ( -2.594 1.062 5.643) 6.301 15.953 ( 3.200 -9.422 7.757) 12.616 15.987 ( 0.333 -16.671 10.445) 19.676 18.785 ( 6.129 17.498 0.883) 18.561 18.964 ( -13.997 26.220 -1.664) 29.769 19.367 ( 1.659 10.840 -1.990) 11.145 19.406 ( -2.890 15.265 -2.848) 15.795 20.427 ( 3.969 -0.219 0.882) 4.071 20.509 ( -4.518 0.365 1.495) 4.773 21.649 ( 5.289 -2.971 -7.767) 9.856 21.712 ( -1.387 -2.771 -5.635) 6.431 22.257 ( 2.652 -0.056 1.808) 3.210 22.306 ( -2.227 -0.319 2.575) 3.419 22.352 ( 3.859 -0.855 4.262) 5.813 22.451 ( -7.037 -1.709 4.150) 8.347 23.064 ( 5.118 -0.166 2.047) 5.515 23.148 ( -3.733 0.067 0.719) 3.803 23.863 ( 11.685 -13.476 -6.918) 19.130 24.028 ( -6.690 -13.100 -2.743) 14.963 ======================= Grid point 55 (22/90) ======================= q-point: ( 0.00 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( 0.000 24.931 9.903) 26.826 1.497 ( 0.000 21.550 25.589) 33.454 2.353 ( 0.000 32.928 11.444) 34.860 2.526 ( 0.000 14.145 10.314) 17.506 2.926 ( 0.000 13.026 3.453) 13.476 2.971 ( 0.000 20.110 2.062) 20.215 3.215 ( 0.000 -9.465 0.846) 9.502 3.293 ( 0.000 -5.724 -5.752) 8.115 3.402 ( 0.000 -5.172 7.697) 9.273 3.592 ( 0.000 -3.948 5.494) 6.765 3.858 ( 0.000 0.330 -2.426) 2.448 3.975 ( 0.000 7.985 -0.345) 7.992 3.987 ( 0.000 6.945 -0.647) 6.975 4.426 ( 0.000 -8.873 -0.070) 8.873 4.625 ( 0.000 3.083 1.532) 3.442 4.725 ( 0.000 13.537 0.767) 13.559 4.836 ( 0.000 -5.949 -5.645) 8.201 4.854 ( 0.000 7.239 0.644) 7.267 5.194 ( 0.000 -4.444 3.216) 5.486 5.238 ( 0.000 10.142 -1.120) 10.204 5.431 ( 0.000 2.785 -2.434) 3.698 5.487 ( 0.000 -9.016 0.667) 9.040 5.602 ( 0.000 -0.517 -1.998) 2.064 5.672 ( 0.000 -2.785 -6.285) 6.875 6.014 ( 0.000 9.831 -4.447) 10.790 6.191 ( 0.000 12.408 5.494) 13.570 6.218 ( 0.000 9.954 -5.504) 11.374 6.276 ( 0.000 3.937 2.546) 4.688 6.944 ( 0.000 15.308 -5.700) 16.335 6.956 ( 0.000 -4.813 -0.446) 4.834 7.106 ( 0.000 0.022 1.267) 1.267 7.582 ( 0.000 14.928 3.268) 15.282 7.711 ( 0.000 -4.351 -1.682) 4.665 7.908 ( 0.000 1.841 -0.981) 2.086 8.066 ( 0.000 3.868 -2.046) 4.376 8.095 ( 0.000 -0.422 -1.223) 1.293 8.499 ( 0.000 -2.785 2.574) 3.793 8.731 ( 0.000 4.020 4.947) 6.374 9.055 ( 0.000 -9.373 -3.221) 9.911 9.078 ( 0.000 -4.788 -0.505) 4.814 9.228 ( 0.000 -4.299 -6.675) 7.940 9.511 ( 0.000 -0.483 -12.924) 12.934 9.856 ( 0.000 9.865 -6.931) 12.057 10.159 ( 0.000 7.350 -21.291) 22.524 10.223 ( 0.000 -4.721 2.163) 5.193 10.537 ( 0.000 -7.129 -7.298) 10.202 10.610 ( 0.000 -9.174 -18.679) 20.811 11.021 ( 0.000 -7.133 -2.276) 7.487 11.037 ( 0.000 -11.914 5.815) 13.257 11.167 ( 0.000 -13.320 4.017) 13.913 11.325 ( 0.000 -11.304 -1.268) 11.375 11.634 ( 0.000 -8.739 -14.737) 17.133 11.826 ( 0.000 8.009 4.607) 9.240 12.052 ( 0.000 4.159 7.067) 8.200 12.088 ( 0.000 1.089 5.384) 5.493 12.434 ( 0.000 -6.819 8.074) 10.568 12.540 ( 0.000 16.959 6.220) 18.063 12.955 ( 0.000 13.455 -1.617) 13.552 12.997 ( 0.000 4.721 6.188) 7.783 13.508 ( 0.000 -7.715 -1.616) 7.883 13.694 ( 0.000 -3.879 -3.152) 4.998 14.036 ( 0.000 -4.534 1.532) 4.786 14.163 ( 0.000 -2.790 6.250) 6.844 14.263 ( 0.000 4.348 -5.855) 7.293 15.049 ( 0.000 1.272 4.348) 4.530 15.277 ( 0.000 -6.931 19.109) 20.327 15.294 ( 0.000 -2.969 -2.654) 3.982 15.769 ( 0.000 -6.065 5.844) 8.422 18.973 ( 0.000 15.685 1.637) 15.770 19.521 ( 0.000 10.162 -1.202) 10.233 19.537 ( 0.000 9.288 -0.551) 9.305 20.285 ( 0.000 -4.275 1.009) 4.392 20.647 ( 0.000 4.500 -0.899) 4.589 20.854 ( 0.000 21.678 -42.210) 47.451 21.259 ( 0.000 1.562 -4.734) 4.985 21.569 ( 0.000 -6.317 -1.938) 6.607 22.178 ( 0.000 0.146 3.639) 3.642 22.253 ( 0.000 -0.933 4.669) 4.762 22.351 ( 0.000 -0.155 3.859) 3.862 22.611 ( 0.000 -8.964 8.389) 12.277 22.916 ( 0.000 -4.266 12.734) 13.429 23.017 ( 0.000 -1.304 1.503) 1.990 23.253 ( 0.000 0.752 1.677) 1.838 23.852 ( 0.000 -13.192 -0.175) 13.193 ======================= Grid point 56 (23/90) ======================= q-point: ( 0.20 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( 12.828 22.509 10.101) 27.807 1.586 ( 9.162 19.673 23.718) 32.148 2.359 ( -6.666 15.516 7.721) 18.569 2.546 ( 3.965 23.427 9.642) 25.642 2.664 ( -10.497 21.239 7.922) 24.981 3.143 ( 5.284 1.171 0.757) 5.464 3.261 ( 5.048 4.554 1.884) 7.054 3.350 ( -3.756 -6.281 5.374) 9.080 3.387 ( 8.648 -3.235 -6.103) 11.068 3.667 ( -6.543 3.186 0.941) 7.338 3.732 ( 4.069 1.055 0.530) 4.237 3.867 ( -4.802 2.430 3.080) 6.201 4.139 ( 5.964 4.664 -0.967) 7.633 4.330 ( -6.466 -2.630 1.571) 7.155 4.636 ( -0.394 2.715 2.165) 3.495 4.793 ( 0.096 6.034 -2.564) 6.556 4.853 ( 1.405 1.885 -6.090) 6.528 4.894 ( 6.047 1.602 -1.423) 6.416 5.116 ( -8.367 4.846 4.115) 10.508 5.180 ( -3.598 2.750 2.019) 4.958 5.312 ( -6.939 -2.143 -4.052) 8.317 5.490 ( -1.243 -4.708 2.477) 5.463 5.590 ( -0.932 1.941 0.180) 2.161 5.663 ( -2.292 -0.922 -3.038) 3.916 5.980 ( -1.257 11.321 -4.206) 12.143 6.104 ( -4.219 14.410 0.374) 15.020 6.293 ( 3.093 3.288 0.429) 4.535 6.337 ( 3.715 4.386 -2.114) 6.124 6.964 ( 2.975 11.061 -6.508) 13.174 7.007 ( 3.073 0.100 -2.119) 3.734 7.202 ( 9.828 -1.861 1.347) 10.093 7.571 ( -0.980 13.075 3.413) 13.549 7.659 ( -4.746 -1.736 0.402) 5.069 7.832 ( -6.573 -0.658 -0.140) 6.607 8.081 ( 1.324 6.325 -1.129) 6.560 8.129 ( 2.127 0.894 -3.023) 3.803 8.561 ( 5.952 -3.307 2.447) 7.235 8.754 ( 2.144 3.615 3.776) 5.650 9.028 ( -3.075 -5.144 -1.005) 6.077 9.059 ( -0.721 -9.780 -3.002) 10.256 9.259 ( 2.458 -4.123 -6.384) 7.987 9.472 ( -3.889 -1.039 -12.274) 12.917 9.860 ( 0.529 10.228 -6.598) 12.183 10.049 ( -6.949 8.211 -10.683) 15.160 10.290 ( 2.879 -6.436 -4.172) 8.193 10.485 ( -3.861 -6.253 -10.460) 12.784 10.658 ( 3.016 -7.661 -13.825) 16.091 10.852 ( -6.576 -6.863 3.379) 10.087 11.140 ( 1.335 -13.094 -0.160) 13.163 11.172 ( -0.119 -13.522 2.411) 13.736 11.412 ( 7.998 -12.694 -4.431) 15.644 11.639 ( 0.011 -10.011 -13.685) 16.955 11.836 ( 1.523 8.248 3.306) 9.015 12.051 ( -3.204 3.559 3.330) 5.833 12.091 ( 3.699 3.140 6.621) 8.208 12.394 ( -3.469 -5.121 8.625) 10.614 12.637 ( 8.047 14.384 5.314) 17.318 12.908 ( -1.992 11.973 0.506) 12.148 13.112 ( 9.243 5.066 4.720) 11.549 13.525 ( 2.019 -6.671 -1.461) 7.121 13.659 ( -3.850 -3.519 -1.390) 5.398 14.034 ( -7.823 -0.226 -0.082) 7.827 14.046 ( -3.267 -4.653 2.632) 6.265 14.219 ( -4.207 0.088 1.151) 4.362 15.049 ( 0.131 1.768 3.516) 3.938 15.132 ( -4.752 3.072 5.575) 7.943 15.515 ( 11.540 -11.299 7.545) 17.826 15.770 ( -0.056 -7.099 5.878) 9.217 19.017 ( 4.830 16.229 1.337) 16.985 19.485 ( -4.453 10.782 -1.126) 11.719 19.559 ( 2.809 9.893 -0.838) 10.318 20.195 ( -15.791 4.489 -4.310) 16.973 20.487 ( -11.025 18.776 -13.169) 25.446 20.642 ( -4.865 6.634 -1.108) 8.301 21.440 ( 8.052 -4.391 -11.122) 14.416 21.613 ( 2.784 -5.737 -5.648) 8.518 22.210 ( 2.618 0.107 2.150) 3.389 22.271 ( 1.946 -1.080 4.277) 4.821 22.338 ( -1.348 -0.214 3.953) 4.182 22.519 ( -7.024 -5.634 7.113) 11.475 22.958 ( 5.064 -0.565 5.131) 7.231 23.183 ( 5.005 -2.107 -0.441) 5.449 23.290 ( 10.492 -7.198 3.837) 13.290 23.827 ( -2.797 -13.359 -0.753) 13.669 ======================= Grid point 57 (24/90) ======================= q-point: ( 0.40 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( 14.862 17.720 14.091) 27.082 1.804 ( 12.514 15.280 17.492) 26.383 2.165 ( -9.848 16.132 10.402) 21.574 2.276 ( -18.245 17.923 5.980) 26.266 2.901 ( 19.222 17.820 4.778) 26.643 3.199 ( -2.255 -9.539 1.177) 9.872 3.238 ( -6.350 8.449 0.772) 10.597 3.292 ( -4.274 -0.315 4.481) 6.201 3.487 ( 2.329 4.065 -2.415) 5.271 3.545 ( -1.618 13.388 -1.584) 13.578 3.880 ( 9.331 -1.475 2.161) 9.691 3.938 ( 10.450 -4.378 1.977) 11.501 4.144 ( -5.446 2.229 0.206) 5.888 4.204 ( -8.326 0.644 2.430) 8.698 4.598 ( -0.091 5.394 1.505) 5.601 4.705 ( -10.698 6.507 -3.540) 13.013 4.883 ( 7.366 6.332 -2.646) 10.067 4.980 ( 1.058 -6.249 -1.758) 6.578 5.016 ( -1.768 1.289 0.184) 2.195 5.105 ( -6.503 4.200 0.120) 7.743 5.302 ( 6.447 -0.572 1.620) 6.672 5.428 ( -5.516 -2.042 3.662) 6.929 5.580 ( 0.571 3.826 1.330) 4.090 5.613 ( -2.551 3.297 -1.190) 4.335 5.991 ( 1.963 10.898 -3.235) 11.536 6.039 ( -2.983 12.272 -1.362) 12.702 6.336 ( 1.979 2.621 -0.752) 3.369 6.365 ( -0.584 3.445 -2.263) 4.163 7.026 ( 2.707 7.134 -6.833) 10.243 7.045 ( 0.693 3.328 -4.842) 5.916 7.413 ( 10.896 -2.246 -0.319) 11.130 7.544 ( -3.281 5.538 1.532) 6.617 7.591 ( 0.087 3.791 4.556) 5.928 7.689 ( -8.308 -1.047 2.221) 8.663 8.113 ( 1.965 6.760 -1.614) 7.223 8.142 ( -0.743 4.652 -2.752) 5.455 8.688 ( 6.699 -3.849 2.095) 8.005 8.773 ( -1.556 -0.088 1.977) 2.518 8.995 ( 0.620 -5.947 -1.341) 6.127 9.034 ( -2.190 -6.932 -2.723) 7.763 9.309 ( 3.132 -4.058 -7.496) 9.081 9.384 ( -4.882 -2.629 -10.062) 11.489 9.881 ( 1.980 10.363 -6.459) 12.371 9.940 ( -4.490 9.853 -7.456) 13.146 10.332 ( 2.602 -7.446 -2.907) 8.406 10.402 ( -4.683 -6.255 -5.664) 9.651 10.713 ( 3.262 -5.815 -9.679) 11.753 10.775 ( -3.158 -5.526 -5.501) 8.413 11.148 ( 0.473 -15.290 0.396) 15.302 11.162 ( -0.764 -15.106 2.995) 15.419 11.543 ( 5.424 -12.455 -8.388) 15.966 11.616 ( -2.555 -11.446 -10.616) 15.819 11.892 ( 4.234 7.929 0.777) 9.022 11.977 ( -4.510 6.444 0.955) 7.923 12.185 ( 6.107 0.322 6.070) 8.616 12.303 ( -6.078 -2.750 7.126) 9.761 12.784 ( 6.809 13.326 3.905) 15.466 12.872 ( -2.765 12.058 1.905) 12.517 13.317 ( 11.999 2.195 4.481) 12.995 13.519 ( -8.131 0.045 2.182) 8.419 13.622 ( 5.677 -5.691 -0.638) 8.063 13.797 ( -12.250 -1.618 -0.005) 12.357 14.070 ( 2.314 -4.418 1.487) 5.204 14.133 ( -4.391 -3.061 2.123) 5.758 15.058 ( 0.885 3.891 2.532) 4.726 15.080 ( -1.590 5.245 3.206) 6.349 15.682 ( 6.291 -11.944 6.481) 14.975 15.755 ( -1.936 -9.605 6.002) 11.490 19.152 ( 9.553 16.711 0.369) 19.252 19.348 ( -10.107 13.752 -0.855) 17.088 19.644 ( 6.594 13.213 -1.619) 14.855 19.837 ( -15.502 18.256 -4.216) 24.318 20.468 ( 3.521 6.584 -2.195) 7.782 20.553 ( -4.996 5.170 -0.414) 7.201 21.549 ( 4.713 -6.927 -7.135) 11.005 21.617 ( -2.210 -6.701 -6.493) 9.588 22.257 ( 2.363 0.011 2.550) 3.477 22.298 ( -1.633 -0.362 3.076) 3.501 22.328 ( 2.819 -1.325 4.387) 5.381 22.403 ( -5.103 -2.696 5.058) 7.674 23.066 ( 5.808 0.579 1.792) 6.106 23.158 ( -3.837 1.083 0.436) 4.011 23.557 ( 12.954 -14.083 -1.157) 19.170 23.740 ( -6.916 -13.876 -1.819) 15.611 ======================= Grid point 60 (25/90) ======================= q-point: ( 0.00 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.867 ( 0.000 24.022 3.237) 24.239 1.961 ( 0.000 22.971 15.794) 27.877 2.634 ( 0.000 -1.156 0.457) 1.243 2.764 ( 0.000 4.307 8.535) 9.560 2.834 ( 0.000 -16.403 3.444) 16.761 3.181 ( 0.000 1.044 7.449) 7.522 3.250 ( 0.000 -8.604 10.090) 13.261 3.322 ( 0.000 3.434 6.244) 7.126 3.409 ( 0.000 17.270 0.143) 17.271 3.697 ( 0.000 23.303 7.680) 24.536 3.978 ( 0.000 3.364 -3.826) 5.095 4.103 ( 0.000 3.609 -3.185) 4.814 4.116 ( 0.000 4.187 -0.921) 4.287 4.215 ( 0.000 -1.684 -2.467) 2.987 4.635 ( 0.000 -6.057 4.864) 7.768 4.769 ( 0.000 1.034 -1.048) 1.472 4.903 ( 0.000 -7.434 -4.363) 8.619 5.011 ( 0.000 4.086 -1.089) 4.228 5.071 ( 0.000 5.497 2.099) 5.884 5.187 ( 0.000 -6.833 -2.300) 7.210 5.482 ( 0.000 -4.496 -2.312) 5.056 5.529 ( 0.000 8.814 0.383) 8.822 5.551 ( 0.000 -8.909 -4.067) 9.794 5.614 ( 0.000 4.523 -1.233) 4.688 6.216 ( 0.000 10.206 -4.916) 11.328 6.317 ( 0.000 3.278 2.495) 4.119 6.433 ( 0.000 7.022 -3.164) 7.702 6.454 ( 0.000 8.865 5.480) 10.422 6.886 ( 0.000 -0.253 0.415) 0.486 7.045 ( 0.000 -2.345 -0.041) 2.345 7.341 ( 0.000 17.987 -3.658) 18.356 7.660 ( 0.000 -0.327 -0.814) 0.877 7.868 ( 0.000 -3.342 2.173) 3.986 7.927 ( 0.000 16.784 0.548) 16.793 7.974 ( 0.000 -8.311 -2.196) 8.596 8.196 ( 0.000 5.357 -0.048) 5.358 8.439 ( 0.000 -2.959 1.563) 3.346 8.764 ( 0.000 -16.933 -2.425) 17.106 8.857 ( 0.000 6.268 3.480) 7.169 9.005 ( 0.000 -3.426 -0.253) 3.435 9.194 ( 0.000 2.968 -8.757) 9.246 9.530 ( 0.000 0.655 -16.835) 16.848 9.815 ( 0.000 -8.711 -6.435) 10.830 10.090 ( 0.000 -11.790 -19.557) 22.836 10.310 ( 0.000 4.882 3.981) 6.299 10.459 ( 0.000 -5.602 -6.162) 8.328 10.522 ( 0.000 10.610 -9.727) 14.394 10.869 ( 0.000 -5.269 3.486) 6.317 10.897 ( 0.000 -3.961 -0.478) 3.990 10.995 ( 0.000 -2.738 -2.146) 3.478 11.132 ( 0.000 -7.155 -1.128) 7.243 11.356 ( 0.000 -17.397 -12.003) 21.136 11.985 ( 0.000 7.676 3.107) 8.281 12.122 ( 0.000 1.898 6.480) 6.752 12.132 ( 0.000 2.716 5.875) 6.472 12.297 ( 0.000 -6.920 4.182) 8.085 12.871 ( 0.000 14.429 2.881) 14.714 13.113 ( 0.000 5.632 2.090) 6.007 13.203 ( 0.000 9.592 1.825) 9.764 13.352 ( 0.000 -7.132 0.045) 7.132 13.630 ( 0.000 -1.245 -4.697) 4.859 13.896 ( 0.000 -8.709 2.089) 8.956 14.127 ( 0.000 -0.106 7.952) 7.952 14.256 ( 0.000 -3.652 3.236) 4.879 15.079 ( 0.000 2.384 1.697) 2.926 15.224 ( 0.000 -3.717 -2.129) 4.283 15.301 ( 0.000 6.169 6.758) 9.151 15.626 ( 0.000 -7.721 5.066) 9.235 19.292 ( 0.000 14.524 1.713) 14.624 19.635 ( 0.000 0.230 0.951) 0.978 19.761 ( 0.000 11.731 -0.501) 11.741 20.168 ( 0.000 -7.162 0.640) 7.191 20.802 ( 0.000 10.381 -3.342) 10.906 21.109 ( 0.000 4.295 -22.948) 23.347 21.291 ( 0.000 1.504 -7.321) 7.474 21.416 ( 0.000 -7.629 -4.602) 8.909 22.186 ( 0.000 0.650 3.860) 3.914 22.230 ( 0.000 -1.231 4.362) 4.532 22.355 ( 0.000 0.565 4.715) 4.749 22.455 ( 0.000 -5.492 9.396) 10.884 22.898 ( 0.000 1.041 5.354) 5.454 22.981 ( 0.000 -2.136 2.435) 3.239 23.295 ( 0.000 3.633 0.447) 3.660 23.601 ( 0.000 -11.037 -1.035) 11.085 ======================= Grid point 61 (26/90) ======================= q-point: ( 0.20 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( 8.770 22.343 4.593) 24.438 2.021 ( 6.238 22.155 15.314) 27.646 2.624 ( -4.128 10.289 6.192) 12.698 2.741 ( 0.744 -5.249 1.625) 5.544 2.857 ( 0.692 -11.472 5.333) 12.669 3.008 ( -11.894 4.430 6.383) 14.207 3.187 ( -3.002 -10.596 8.871) 14.142 3.383 ( 3.004 -4.061 4.262) 6.609 3.542 ( 7.866 15.342 -0.571) 17.250 3.811 ( 10.158 20.216 7.209) 23.745 3.909 ( -4.506 8.069 -3.103) 9.749 3.967 ( -6.431 6.240 -3.365) 9.572 4.172 ( 0.054 -6.655 0.049) 6.656 4.242 ( 1.421 5.626 0.007) 5.802 4.669 ( 2.879 -3.959 1.535) 5.130 4.762 ( -0.693 -0.743 -1.041) 1.454 4.875 ( -2.739 -10.678 -3.822) 11.668 5.007 ( 0.007 4.268 -1.928) 4.683 5.113 ( 2.386 5.900 3.047) 7.055 5.199 ( 0.782 -3.065 -2.056) 3.772 5.347 ( -8.913 5.690 -1.836) 10.733 5.505 ( -4.633 2.151 2.099) 5.523 5.565 ( 0.782 -5.036 1.374) 5.279 5.610 ( 0.220 -1.605 -2.936) 3.353 6.203 ( -0.624 10.565 -4.440) 11.477 6.327 ( -0.373 5.510 1.484) 5.719 6.385 ( -1.879 6.256 -1.429) 6.686 6.469 ( -0.245 5.389 0.997) 5.486 6.974 ( 7.594 0.902 -0.560) 7.668 7.120 ( 7.709 -1.531 -0.534) 7.877 7.326 ( -1.574 14.353 -3.386) 14.831 7.649 ( -1.464 0.750 -1.337) 2.120 7.772 ( -6.234 -2.356 2.342) 7.064 7.881 ( -4.160 15.284 0.975) 15.870 8.062 ( 5.816 -6.889 -1.688) 9.172 8.214 ( 0.957 4.838 -0.613) 4.970 8.484 ( 4.837 -3.341 1.784) 6.143 8.790 ( 2.586 -13.728 -2.080) 14.124 8.868 ( 0.141 3.924 2.831) 4.841 8.941 ( -5.221 -3.091 -0.310) 6.076 9.226 ( 2.872 2.876 -8.621) 9.531 9.501 ( -3.258 3.035 -16.002) 16.610 9.806 ( -0.402 -11.013 -6.728) 12.911 10.025 ( -5.959 -11.447 -16.750) 21.144 10.328 ( 1.958 6.867 3.148) 7.804 10.485 ( 2.273 -1.559 -6.990) 7.514 10.537 ( 0.678 5.020 -8.422) 9.829 10.777 ( -5.077 -0.258 1.259) 5.238 10.908 ( -1.357 -7.818 1.260) 8.034 10.981 ( -1.642 -3.729 -0.458) 4.101 11.188 ( 4.879 -9.447 -4.406) 11.509 11.351 ( -0.645 -17.152 -11.172) 20.480 11.998 ( 1.598 7.562 2.261) 8.053 12.121 ( -0.382 3.006 4.687) 5.581 12.151 ( 1.837 1.885 5.853) 6.417 12.283 ( -1.338 -5.647 4.947) 7.625 12.936 ( 6.088 13.353 2.609) 14.906 13.128 ( 0.463 8.875 2.300) 9.180 13.241 ( 4.746 5.643 1.501) 7.525 13.384 ( 3.623 -6.693 0.167) 7.613 13.609 ( -2.261 -0.329 -3.045) 3.807 13.898 ( 0.266 -8.917 2.254) 9.201 14.025 ( -10.301 0.353 5.631) 11.745 14.173 ( -7.440 -4.303 4.367) 9.641 15.105 ( 2.679 3.906 1.065) 4.854 15.238 ( -0.057 5.074 1.489) 5.289 15.354 ( 5.895 -4.079 4.140) 8.279 15.613 ( -1.473 -8.102 4.849) 9.557 19.339 ( 4.856 14.330 1.438) 15.199 19.675 ( 4.279 0.546 0.779) 4.383 19.722 ( -4.105 11.640 -0.395) 12.349 20.126 ( -5.087 -6.815 0.319) 8.511 20.775 ( -2.571 12.075 -4.782) 13.239 20.936 ( -12.266 15.940 -12.620) 23.744 21.304 ( 1.957 -8.733 -6.660) 11.156 21.461 ( 0.835 -8.920 -8.077) 12.062 22.215 ( 2.416 0.329 3.082) 3.930 22.247 ( 1.755 -1.187 4.214) 4.716 22.339 ( -1.508 0.423 4.632) 4.890 22.415 ( -3.437 -3.938 7.570) 9.199 22.967 ( 6.358 1.454 3.468) 7.387 23.094 ( 10.454 -4.624 1.867) 11.582 23.276 ( -1.961 3.163 0.684) 3.784 23.574 ( -3.003 -11.013 -1.066) 11.464 ======================= Grid point 62 (27/90) ======================= q-point: ( 0.40 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.145 ( 9.125 17.684 11.521) 22.994 2.168 ( 7.724 20.040 12.184) 24.693 2.511 ( -4.083 17.366 7.366) 19.300 2.626 ( -13.204 16.195 3.414) 21.172 2.879 ( 4.470 -14.256 3.953) 15.454 2.939 ( -0.693 -14.885 6.201) 16.140 3.176 ( 3.934 -9.973 2.830) 11.089 3.325 ( -8.923 -10.086 0.482) 13.475 3.671 ( 7.064 14.839 -2.988) 16.704 3.801 ( -6.672 11.250 -4.281) 13.762 3.968 ( 7.647 3.505 0.223) 8.415 4.042 ( 8.627 17.130 4.354) 19.668 4.132 ( -3.181 -5.770 2.265) 6.967 4.216 ( -4.657 7.315 3.958) 9.532 4.720 ( 3.219 2.991 -2.572) 5.091 4.756 ( -0.227 -5.953 -3.340) 6.829 4.837 ( 0.082 -7.887 -0.115) 7.888 4.945 ( -9.542 7.777 0.046) 12.310 5.108 ( 3.372 2.633 0.954) 4.383 5.190 ( -2.587 1.182 -3.623) 4.606 5.318 ( 3.313 4.564 3.457) 6.615 5.396 ( -5.467 0.210 5.779) 7.958 5.584 ( 1.372 -3.571 0.757) 3.900 5.608 ( -0.811 -3.402 -1.714) 3.895 6.214 ( 2.015 10.524 -3.183) 11.178 6.273 ( -3.909 10.037 -0.851) 10.805 6.402 ( 2.329 2.491 -1.480) 3.717 6.446 ( -2.058 2.656 -0.927) 3.485 7.114 ( 6.999 4.801 -2.450) 8.834 7.217 ( -2.670 8.497 -3.991) 9.760 7.361 ( 9.414 -2.809 -0.290) 9.829 7.552 ( -9.113 -4.287 -1.948) 10.258 7.729 ( 1.879 8.411 3.283) 9.223 7.796 ( -4.574 12.730 1.949) 13.667 8.155 ( 4.032 -4.283 -1.853) 6.167 8.208 ( -1.629 0.298 -1.374) 2.152 8.610 ( 8.241 -1.840 1.459) 8.569 8.769 ( -8.125 0.197 0.580) 8.148 8.856 ( 3.119 -9.604 -0.642) 10.118 8.899 ( -1.136 -4.177 0.876) 4.417 9.299 ( 5.167 4.654 -9.934) 12.126 9.410 ( -6.131 5.583 -12.951) 15.378 9.824 ( 2.726 -12.877 -8.953) 15.919 9.908 ( -5.919 -11.961 -12.543) 18.315 10.383 ( 3.902 8.790 0.685) 9.641 10.465 ( -4.248 9.266 -4.370) 11.090 10.590 ( 5.254 -5.433 -4.148) 8.622 10.693 ( -5.074 -2.296 -3.213) 6.429 10.897 ( 1.184 -6.255 0.652) 6.399 10.939 ( -2.641 -4.534 0.032) 5.247 11.273 ( 3.847 -13.382 -7.397) 15.767 11.327 ( -1.989 -15.903 -9.402) 18.581 12.044 ( 3.005 6.695 1.449) 7.480 12.096 ( -2.299 4.944 2.325) 5.927 12.196 ( 2.842 -0.069 5.542) 6.229 12.248 ( -2.483 -2.971 5.487) 6.715 13.051 ( 5.163 11.950 1.690) 13.127 13.114 ( -1.879 11.032 1.428) 11.281 13.369 ( 7.911 0.664 1.797) 8.140 13.468 ( 1.229 -7.672 0.280) 7.774 13.576 ( 3.065 4.654 1.408) 5.747 13.772 ( -13.675 1.026 3.511) 14.156 13.937 ( 2.798 -8.156 2.516) 8.982 14.030 ( -6.946 -6.681 3.739) 10.338 15.165 ( 3.265 6.254 1.529) 7.219 15.216 ( -2.107 7.617 2.386) 8.255 15.476 ( 6.120 -8.647 3.634) 11.200 15.567 ( -3.618 -8.827 4.274) 10.453 19.463 ( 7.992 13.455 0.716) 15.666 19.612 ( -7.414 12.164 -0.029) 14.245 19.794 ( 8.364 0.469 0.321) 8.383 19.975 ( -10.233 -2.555 -0.155) 10.548 20.736 ( -0.490 16.013 -5.854) 17.056 20.776 ( -4.865 16.788 -4.973) 18.172 21.358 ( 3.613 -11.727 -6.453) 13.864 21.428 ( -3.493 -11.758 -7.053) 14.149 22.259 ( 2.299 0.268 3.455) 4.158 22.288 ( 1.638 -0.840 3.890) 4.303 22.307 ( -0.993 -0.286 4.449) 4.567 22.351 ( -3.270 -2.208 5.341) 6.640 23.096 ( 6.788 2.470 1.333) 7.345 23.201 ( -3.871 3.180 0.039) 5.010 23.320 ( 10.151 -8.867 0.759) 13.500 23.484 ( -6.827 -10.671 -0.826) 12.695 ======================= Grid point 65 (28/90) ======================= q-point: ( 0.00 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.304 ( 0.000 -12.369 -0.981) 12.408 2.304 ( 0.000 12.369 -0.981) 12.408 2.461 ( 0.000 -13.690 8.584) 16.159 2.461 ( 0.000 13.690 8.584) 16.159 2.988 ( 0.000 -12.709 10.991) 16.802 2.988 ( 0.000 12.709 10.991) 16.802 3.259 ( 0.000 -3.836 8.007) 8.878 3.259 ( 0.000 3.836 8.007) 8.878 3.775 ( 0.000 -16.209 0.213) 16.210 3.775 ( 0.000 16.209 0.213) 16.210 4.101 ( 0.000 -1.353 -3.089) 3.372 4.101 ( 0.000 1.353 -3.089) 3.372 4.301 ( 0.000 -23.680 3.159) 23.889 4.301 ( 0.000 23.680 3.159) 23.889 4.557 ( 0.000 -20.052 -3.288) 20.320 4.557 ( 0.000 20.052 -3.288) 20.320 4.873 ( 0.000 -8.252 2.019) 8.495 4.873 ( 0.000 8.252 2.019) 8.495 5.307 ( 0.000 -1.436 -2.116) 2.557 5.307 ( 0.000 1.435 -2.116) 2.557 5.327 ( 0.000 -4.317 -2.305) 4.893 5.327 ( 0.000 4.317 -2.305) 4.893 5.652 ( 0.000 -2.224 -2.576) 3.403 5.652 ( 0.000 2.224 -2.576) 3.403 6.357 ( 0.000 -1.480 -1.538) 2.135 6.357 ( 0.000 1.480 -1.538) 2.135 6.510 ( 0.000 -1.007 3.781) 3.913 6.510 ( 0.000 1.007 3.781) 3.913 6.962 ( 0.000 -5.398 -0.183) 5.401 6.962 ( 0.000 5.398 -0.183) 5.401 7.645 ( 0.000 -7.179 -4.305) 8.371 7.645 ( 0.000 7.179 -4.305) 8.371 7.801 ( 0.000 -2.591 2.588) 3.662 7.801 ( 0.000 2.591 2.588) 3.662 8.242 ( 0.000 -6.215 -1.480) 6.388 8.242 ( 0.000 6.215 -1.480) 6.388 8.437 ( 0.000 -8.922 0.549) 8.939 8.437 ( 0.000 8.922 0.549) 8.939 8.941 ( 0.000 -2.817 1.312) 3.108 8.941 ( 0.000 2.817 1.312) 3.108 9.380 ( 0.000 -12.787 -10.381) 16.470 9.380 ( 0.000 12.787 -10.381) 16.470 9.834 ( 0.000 -10.128 -15.402) 18.434 9.834 ( 0.000 10.128 -15.402) 18.434 10.363 ( 0.000 -3.299 0.298) 3.312 10.363 ( 0.000 3.299 0.298) 3.312 10.782 ( 0.000 -5.467 -1.803) 5.756 10.782 ( 0.000 5.467 -1.803) 5.756 10.969 ( 0.000 -14.005 -4.535) 14.721 10.969 ( 0.000 14.005 -4.535) 14.721 11.026 ( 0.000 -1.703 -4.672) 4.972 11.026 ( 0.000 1.703 -4.672) 4.972 12.136 ( 0.000 -4.678 2.641) 5.372 12.136 ( 0.000 4.678 2.641) 5.372 12.161 ( 0.000 -2.462 5.809) 6.309 12.161 ( 0.000 2.462 5.809) 6.309 13.111 ( 0.000 -8.063 -0.425) 8.075 13.111 ( 0.000 8.063 -0.425) 8.075 13.285 ( 0.000 -0.809 3.606) 3.695 13.285 ( 0.000 0.809 3.606) 3.695 13.706 ( 0.000 -8.379 -1.789) 8.568 13.706 ( 0.000 8.379 -1.789) 8.568 14.168 ( 0.000 -3.832 7.355) 8.293 14.168 ( 0.000 3.832 7.355) 8.293 15.146 ( 0.000 -3.747 -1.096) 3.904 15.146 ( 0.000 3.747 -1.096) 3.904 15.458 ( 0.000 -8.345 4.821) 9.638 15.458 ( 0.000 8.345 4.821) 9.638 19.540 ( 0.000 -8.919 1.713) 9.082 19.540 ( 0.000 8.919 1.713) 9.082 19.990 ( 0.000 -10.128 0.090) 10.129 19.990 ( 0.000 10.128 0.090) 10.129 21.032 ( 0.000 -10.148 -7.098) 12.384 21.032 ( 0.000 10.148 -7.098) 12.384 21.321 ( 0.000 -1.781 -10.165) 10.319 21.321 ( 0.000 1.781 -10.165) 10.319 22.205 ( 0.000 -1.131 4.092) 4.245 22.205 ( 0.000 1.131 4.092) 4.245 22.380 ( 0.000 -2.138 6.491) 6.834 22.380 ( 0.000 2.138 6.491) 6.834 22.934 ( 0.000 -2.205 3.320) 3.986 22.934 ( 0.000 2.205 3.320) 3.986 23.409 ( 0.000 -7.483 -0.445) 7.496 23.409 ( 0.000 7.483 -0.445) 7.496 ======================= Grid point 67 (29/90) ======================= q-point: ( 0.20 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.368 ( 6.444 -12.353 1.070) 13.973 2.368 ( 6.444 12.352 1.070) 13.973 2.501 ( 4.225 -13.772 8.298) 16.625 2.501 ( 4.225 13.772 8.298) 16.625 2.935 ( -4.998 -13.128 9.185) 16.784 2.935 ( -4.998 13.128 9.185) 16.784 3.195 ( -6.969 -10.509 6.573) 14.220 3.195 ( -6.969 10.509 6.573) 14.220 3.818 ( 4.156 -11.044 0.610) 11.815 3.818 ( 4.156 11.044 0.610) 11.815 4.065 ( -3.377 -4.580 -3.594) 6.730 4.065 ( -3.377 4.580 -3.594) 6.730 4.355 ( 5.264 -23.448 2.374) 24.149 4.355 ( 5.264 23.448 2.374) 24.149 4.535 ( -1.804 -18.489 -1.980) 18.682 4.535 ( -1.804 18.489 -1.980) 18.682 4.882 ( 1.332 -8.716 1.978) 9.036 4.882 ( 1.332 8.716 1.978) 9.036 5.284 ( -3.062 -5.457 -2.962) 6.923 5.284 ( -3.062 5.457 -2.962) 6.923 5.376 ( 4.122 -8.074 -0.501) 9.079 5.376 ( 4.122 8.074 -0.501) 9.079 5.581 ( -6.007 -2.789 -0.235) 6.627 5.581 ( -6.007 2.789 -0.235) 6.627 6.361 ( 0.539 -3.418 -2.455) 4.243 6.361 ( 0.539 3.418 -2.455) 4.243 6.483 ( -2.473 -3.516 2.166) 4.813 6.483 ( -2.473 3.516 2.166) 4.813 7.048 ( 8.273 -4.908 0.023) 9.619 7.048 ( 8.273 4.908 0.023) 9.619 7.569 ( -6.704 -8.483 -2.788) 11.165 7.569 ( -6.704 8.483 -2.788) 11.165 7.864 ( 5.148 -10.517 0.865) 11.741 7.864 ( 5.148 10.517 0.865) 11.741 8.177 ( -5.288 -10.346 -1.027) 11.664 8.177 ( -5.288 10.346 -1.027) 11.664 8.522 ( 7.298 -9.049 0.319) 11.630 8.522 ( 7.298 9.049 0.319) 11.630 8.909 ( -3.476 -0.610 1.192) 3.725 8.909 ( -3.476 0.610 1.192) 3.725 9.408 ( 3.119 -12.357 -10.502) 16.514 9.408 ( 3.119 12.357 -10.502) 16.514 9.771 ( -6.111 -9.907 -14.391) 18.510 9.771 ( -6.111 9.907 -14.391) 18.510 10.402 ( 3.943 -3.194 0.395) 5.089 10.402 ( 3.943 3.194 0.395) 5.089 10.734 ( -4.844 -5.471 -0.421) 7.319 10.734 ( -4.844 5.471 -0.421) 7.319 10.978 ( 0.944 -13.991 -5.743) 15.153 10.978 ( 0.944 13.991 -5.743) 15.153 11.026 ( -0.115 -4.802 -5.404) 7.230 11.026 ( -0.115 4.802 -5.404) 7.230 12.138 ( 0.627 -4.719 2.590) 5.419 12.138 ( 0.627 4.719 2.590) 5.419 12.175 ( 0.868 -2.813 5.293) 6.057 12.175 ( 0.868 2.813 5.293) 6.057 13.164 ( 5.216 -8.246 -0.108) 9.758 13.164 ( 5.216 8.246 -0.108) 9.758 13.296 ( 1.101 -3.914 2.873) 4.979 13.296 ( 1.101 3.914 2.873) 4.979 13.702 ( -0.015 -8.915 -0.791) 8.950 13.702 ( -0.015 8.915 -0.791) 8.950 14.075 ( -9.037 -4.283 6.515) 11.935 14.075 ( -9.037 4.283 6.515) 11.935 15.200 ( 5.095 -4.951 -0.096) 7.105 15.200 ( 5.095 4.951 -0.096) 7.105 15.442 ( -1.754 -8.212 4.412) 9.486 15.442 ( -1.754 8.212 4.412) 9.486 19.582 ( 4.455 -8.816 1.511) 9.993 19.582 ( 4.455 8.816 1.511) 9.993 19.950 ( -4.250 -10.088 0.133) 10.947 19.950 ( -4.250 10.088 0.133) 10.947 21.037 ( 0.686 -11.415 -6.892) 13.351 21.037 ( 0.686 11.415 -6.892) 13.351 21.255 ( -6.010 -10.183 -8.525) 14.577 21.255 ( -6.010 10.183 -8.525) 14.577 22.226 ( 1.980 -0.800 3.917) 4.461 22.226 ( 1.980 0.800 3.917) 4.461 22.359 ( -1.959 -1.663 5.866) 6.404 22.359 ( -1.959 1.663 5.866) 6.404 23.015 ( 7.606 -3.135 2.421) 8.576 23.015 ( 7.606 3.135 2.421) 8.576 23.384 ( -2.678 -7.287 -0.388) 7.773 23.384 ( -2.678 7.287 -0.388) 7.773 ======================= Grid point 69 (30/90) ======================= q-point: ( 0.40 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.509 ( 7.436 -13.886 7.009) 17.241 2.509 ( 7.436 13.886 7.009) 17.240 2.582 ( 1.673 -14.794 9.234) 17.520 2.582 ( 1.673 14.794 9.234) 17.520 2.868 ( 1.123 -16.325 3.381) 16.709 2.868 ( 1.123 16.325 3.381) 16.709 3.014 ( -11.285 -16.777 2.983) 20.438 3.014 ( -11.285 16.777 2.983) 20.438 3.909 ( 5.066 -7.790 -0.157) 9.294 3.909 ( 5.066 7.790 -0.157) 9.294 3.994 ( -4.098 -7.316 -2.278) 8.689 3.994 ( -4.098 7.316 -2.278) 8.689 4.451 ( 3.981 -18.479 0.364) 18.907 4.451 ( 3.981 18.479 0.364) 18.907 4.503 ( -1.894 -16.552 -0.098) 16.660 4.503 ( -1.894 16.552 -0.098) 16.660 4.960 ( 7.921 -9.894 2.020) 12.834 4.960 ( 7.921 9.894 2.020) 12.834 5.152 ( -10.714 -7.274 -0.482) 12.959 5.152 ( -10.714 7.274 -0.482) 12.959 5.448 ( 3.242 -6.374 0.790) 7.194 5.448 ( 3.242 6.374 0.790) 7.194 5.498 ( -2.661 -5.462 0.610) 6.106 5.498 ( -2.661 5.462 0.610) 6.106 6.383 ( 1.926 -4.764 -2.372) 5.660 6.383 ( 1.926 4.764 -2.372) 5.660 6.430 ( -2.967 -4.400 -0.379) 5.320 6.430 ( -2.967 4.400 -0.379) 5.320 7.231 ( 10.556 -5.807 -0.630) 12.064 7.231 ( 10.556 5.807 -0.630) 12.064 7.419 ( -9.284 -7.547 -1.707) 12.086 7.419 ( -9.284 7.547 -1.707) 12.086 7.967 ( 5.696 -12.498 -0.240) 13.737 7.967 ( 5.696 12.498 -0.240) 13.737 8.073 ( -5.718 -12.210 -0.704) 13.501 8.073 ( -5.718 12.210 -0.704) 13.501 8.671 ( 8.243 -7.112 0.518) 10.900 8.671 ( 8.243 7.112 0.518) 10.900 8.813 ( -6.663 -3.740 0.878) 7.691 8.813 ( -6.663 3.740 0.878) 7.691 9.497 ( 6.330 -11.323 -11.122) 17.087 9.497 ( 6.330 11.323 -11.122) 17.087 9.634 ( -7.948 -10.241 -12.551) 18.044 9.634 ( -7.948 10.241 -12.551) 18.044 10.498 ( 6.127 -3.747 0.770) 7.223 10.498 ( 6.127 3.747 0.770) 7.223 10.621 ( -6.797 -4.871 0.773) 8.398 10.621 ( -6.797 4.871 0.773) 8.398 11.000 ( 1.210 -12.152 -6.763) 13.960 11.000 ( 1.210 12.152 -6.763) 13.960 11.018 ( -0.704 -8.823 -6.479) 10.969 11.018 ( -0.704 8.823 -6.479) 10.969 12.159 ( 1.373 -3.760 2.882) 4.932 12.159 ( 1.373 3.760 2.882) 4.932 12.179 ( -0.524 -2.940 4.110) 5.080 12.179 ( -0.524 2.940 4.110) 5.080 13.268 ( 4.724 -8.962 0.290) 10.135 13.268 ( 4.724 8.962 0.290) 10.135 13.311 ( -0.105 -7.692 1.199) 7.785 13.311 ( -0.105 7.692 1.199) 7.785 13.734 ( 4.485 -9.223 2.053) 10.459 13.734 ( 4.485 9.223 2.053) 10.459 13.881 ( -10.464 -6.768 4.810) 13.358 13.881 ( -10.464 6.768 4.810) 13.358 15.304 ( 5.489 -6.668 1.689) 8.801 15.304 ( 5.489 6.668 1.689) 8.801 15.391 ( -3.738 -7.726 3.292) 9.192 15.391 ( -3.738 7.726 3.292) 9.192 19.696 ( 7.389 -8.808 0.987) 11.539 19.696 ( 7.389 8.808 0.987) 11.539 19.839 ( -7.334 -9.453 0.418) 11.972 19.839 ( -7.334 9.453 0.418) 11.972 21.066 ( 2.604 -13.743 -6.422) 15.392 21.066 ( 2.604 13.743 -6.422) 15.392 21.141 ( -5.471 -14.352 -6.611) 16.722 21.141 ( -5.471 14.352 -6.611) 16.722 22.269 ( 2.534 -0.746 4.102) 4.879 22.269 ( 2.534 0.746 4.102) 4.879 22.317 ( -2.498 -1.079 4.831) 5.545 22.317 ( -2.498 1.079 4.831) 5.545 23.173 ( 8.416 -5.060 0.874) 9.858 23.173 ( 8.416 5.060 0.874) 9.858 23.307 ( -5.745 -6.561 -0.064) 8.721 23.307 ( -5.745 6.561 -0.064) 8.721 ======================= Grid point 90 (31/90) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( 0.000 0.000 27.356) 27.356 1.251 ( 0.000 0.000 29.333) 29.333 2.275 ( 0.000 0.000 44.129) 44.129 2.472 ( 0.000 0.000 6.425) 6.425 2.479 ( 0.000 0.000 4.758) 4.758 2.571 ( 0.000 0.000 14.923) 14.923 3.217 ( 0.000 0.000 -5.294) 5.294 3.436 ( 0.000 0.000 -7.288) 7.288 3.440 ( 0.000 0.000 -4.795) 4.795 3.546 ( 0.000 0.000 0.676) 0.676 3.887 ( 0.000 0.000 -0.531) 0.531 3.969 ( 0.000 0.000 4.393) 4.393 4.090 ( 0.000 0.000 -8.248) 8.248 4.151 ( 0.000 0.000 -0.396) 0.396 4.163 ( 0.000 0.000 3.216) 3.216 4.662 ( 0.000 0.000 0.155) 0.155 4.939 ( 0.000 0.000 -5.175) 5.175 5.035 ( 0.000 0.000 17.905) 17.905 5.132 ( 0.000 0.000 -3.578) 3.578 5.167 ( 0.000 0.000 4.990) 4.990 5.342 ( 0.000 0.000 -10.103) 10.103 5.483 ( 0.000 0.000 13.492) 13.492 5.550 ( 0.000 0.000 -8.877) 8.877 5.592 ( 0.000 0.000 1.272) 1.272 5.631 ( 0.000 0.000 -5.200) 5.200 5.703 ( 0.000 0.000 -1.117) 1.117 6.110 ( 0.000 0.000 0.897) 0.897 6.305 ( 0.000 0.000 2.776) 2.776 6.449 ( 0.000 0.000 -7.729) 7.729 7.033 ( 0.000 0.000 -2.985) 2.985 7.168 ( 0.000 0.000 -2.238) 2.238 7.389 ( 0.000 0.000 12.108) 12.108 7.722 ( 0.000 0.000 7.588) 7.588 7.763 ( 0.000 0.000 -3.524) 3.524 7.866 ( 0.000 0.000 -8.822) 8.822 8.040 ( 0.000 0.000 2.627) 2.627 8.670 ( 0.000 0.000 8.009) 8.009 9.004 ( 0.000 0.000 -1.005) 1.005 9.141 ( 0.000 0.000 -11.690) 11.690 9.149 ( 0.000 0.000 -1.490) 1.490 9.224 ( 0.000 0.000 -12.169) 12.169 9.257 ( 0.000 0.000 -3.150) 3.150 9.346 ( 0.000 0.000 2.262) 2.262 9.468 ( 0.000 0.000 -5.070) 5.070 10.427 ( 0.000 0.000 -1.948) 1.948 10.463 ( 0.000 0.000 -20.000) 20.000 10.507 ( 0.000 0.000 -18.076) 18.076 11.158 ( 0.000 0.000 -5.036) 5.036 11.304 ( 0.000 0.000 -19.843) 19.843 11.453 ( 0.000 0.000 -15.254) 15.254 11.568 ( 0.000 0.000 -2.706) 2.706 11.742 ( 0.000 0.000 10.093) 10.093 11.779 ( 0.000 0.000 7.638) 7.638 11.875 ( 0.000 0.000 -8.115) 8.115 12.224 ( 0.000 0.000 9.658) 9.658 12.236 ( 0.000 0.000 6.409) 6.409 12.617 ( 0.000 0.000 9.383) 9.383 12.935 ( 0.000 0.000 -4.340) 4.340 13.179 ( 0.000 0.000 11.099) 11.099 13.534 ( 0.000 0.000 -4.988) 4.988 13.675 ( 0.000 0.000 -3.624) 3.624 13.706 ( 0.000 0.000 -6.042) 6.042 14.087 ( 0.000 0.000 0.594) 0.594 14.339 ( 0.000 0.000 4.368) 4.368 15.106 ( 0.000 0.000 3.856) 3.856 15.296 ( 0.000 0.000 -2.969) 2.969 16.080 ( 0.000 0.000 9.844) 9.844 16.908 ( 0.000 0.000 -1.724) 1.724 18.605 ( 0.000 0.000 3.113) 3.113 18.643 ( 0.000 0.000 3.964) 3.964 19.174 ( 0.000 0.000 -3.761) 3.761 19.241 ( 0.000 0.000 -3.000) 3.000 20.411 ( 0.000 0.000 2.654) 2.654 20.629 ( 0.000 0.000 2.432) 2.432 21.147 ( 0.000 0.000 -3.855) 3.855 21.658 ( 0.000 0.000 -2.554) 2.554 22.267 ( 0.000 0.000 4.932) 4.932 22.391 ( 0.000 0.000 6.040) 6.040 22.432 ( 0.000 0.000 3.291) 3.291 22.708 ( 0.000 0.000 -3.046) 3.046 23.073 ( 0.000 0.000 3.533) 3.533 23.335 ( 0.000 0.000 4.148) 4.148 23.362 ( 0.000 0.000 -5.728) 5.728 24.340 ( 0.000 0.000 -9.673) 9.673 ======================= Grid point 91 (32/90) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( 12.400 0.000 23.984) 27.000 1.457 ( 19.082 0.000 24.471) 31.032 2.210 ( -15.616 0.000 8.982) 18.015 2.332 ( 0.259 0.000 28.973) 28.974 2.570 ( 5.762 0.000 26.563) 27.181 2.683 ( 9.439 0.000 2.202) 9.692 3.135 ( -7.233 0.000 -4.096) 8.312 3.464 ( 2.240 0.000 -6.581) 6.952 3.515 ( 7.474 0.000 -7.058) 10.280 3.550 ( -1.230 0.000 -1.112) 1.658 3.711 ( -11.576 0.000 3.980) 12.241 3.966 ( -2.633 0.000 -0.587) 2.698 4.132 ( 6.085 0.000 -3.557) 7.048 4.150 ( 0.543 0.000 6.993) 7.014 4.372 ( 13.369 0.000 -2.939) 13.688 4.616 ( -4.989 0.000 0.715) 5.040 4.816 ( -12.097 0.000 10.573) 16.067 4.973 ( 3.819 0.000 -5.262) 6.502 5.194 ( 2.713 0.000 2.798) 3.898 5.218 ( 1.688 0.000 2.181) 2.758 5.301 ( -3.764 0.000 -7.318) 8.229 5.406 ( -7.689 0.000 11.872) 14.145 5.479 ( -8.007 0.000 -5.312) 9.609 5.557 ( -6.243 0.000 -4.401) 7.638 5.624 ( 2.123 0.000 -0.264) 2.139 5.708 ( 0.003 0.000 -1.516) 1.516 6.169 ( 5.492 0.000 -2.190) 5.913 6.322 ( 0.420 0.000 -0.669) 0.790 6.505 ( 7.238 0.000 -6.446) 9.692 7.003 ( -3.520 0.000 -4.311) 5.566 7.288 ( 11.125 0.000 -2.520) 11.407 7.427 ( 3.764 0.000 11.265) 11.877 7.677 ( -3.419 0.000 4.896) 5.972 7.807 ( 3.293 0.000 0.067) 3.293 7.827 ( -4.191 0.000 -8.054) 9.079 8.015 ( -2.585 0.000 2.622) 3.682 8.696 ( 2.927 0.000 6.922) 7.515 8.930 ( -3.856 0.000 2.362) 4.521 9.159 ( 1.750 0.000 -11.150) 11.287 9.218 ( 0.712 0.000 -11.045) 11.068 9.251 ( -0.579 0.000 -3.930) 3.972 9.252 ( 4.759 0.000 -4.276) 6.398 9.354 ( 0.837 0.000 1.769) 1.957 9.452 ( -1.601 0.000 -4.538) 4.812 10.462 ( -0.067 0.000 -19.629) 19.629 10.491 ( 6.400 0.000 -2.783) 6.979 10.497 ( -0.981 0.000 -18.047) 18.074 11.098 ( -10.525 0.000 -6.840) 12.552 11.265 ( 2.992 0.000 -9.370) 9.836 11.472 ( 1.990 0.000 -14.777) 14.910 11.579 ( -0.174 0.000 -10.607) 10.609 11.748 ( 0.748 0.000 9.549) 9.578 11.788 ( 0.636 0.000 7.387) 7.414 11.802 ( -6.258 0.000 -8.525) 10.575 12.252 ( 3.087 0.000 9.894) 10.364 12.353 ( 9.896 0.000 4.297) 10.788 12.572 ( -4.609 0.000 9.420) 10.487 12.899 ( -5.753 0.000 -3.497) 6.733 13.243 ( 8.691 0.000 9.131) 12.606 13.553 ( 1.909 0.000 -4.758) 5.127 13.665 ( -1.008 0.000 -3.705) 3.840 13.709 ( -0.496 0.000 -4.377) 4.405 14.093 ( 0.761 0.000 0.751) 1.069 14.297 ( -4.303 0.000 3.866) 5.785 15.091 ( -1.358 0.000 3.761) 3.998 15.221 ( -6.793 0.000 -0.090) 6.793 16.128 ( 5.105 0.000 9.959) 11.191 16.732 ( -15.019 0.000 5.526) 16.003 18.608 ( 0.356 0.000 3.179) 3.199 18.639 ( -0.413 0.000 3.864) 3.886 19.181 ( 0.704 0.000 -3.670) 3.737 19.235 ( -0.622 0.000 -3.059) 3.121 20.422 ( 1.716 0.000 2.864) 3.339 20.632 ( -1.433 0.000 3.555) 3.833 21.265 ( 11.075 0.000 -9.463) 14.568 21.658 ( -0.462 0.000 -3.947) 3.974 22.277 ( 1.132 0.000 4.391) 4.534 22.398 ( -0.080 0.000 4.499) 4.499 22.428 ( 0.228 0.000 4.343) 4.349 22.648 ( -5.776 0.000 -0.955) 5.855 23.072 ( 0.911 0.000 3.941) 4.045 23.236 ( -3.706 0.000 1.523) 4.007 23.573 ( 13.666 0.000 -5.793) 14.844 24.254 ( -8.444 0.000 -8.322) 11.856 ======================= Grid point 92 (33/90) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( 17.687 0.000 17.922) 25.180 1.840 ( 20.092 0.000 20.407) 28.638 1.899 ( -17.673 0.000 12.847) 21.849 2.169 ( -14.635 0.000 18.834) 23.851 2.839 ( 7.824 0.000 -0.566) 7.844 2.880 ( 22.847 0.000 24.342) 33.384 2.987 ( -8.191 0.000 -2.428) 8.543 3.299 ( -19.973 0.000 5.073) 20.607 3.564 ( 4.233 0.000 -2.723) 5.033 3.619 ( -1.520 0.000 4.467) 4.719 3.684 ( 9.975 0.000 -6.051) 11.667 3.859 ( -8.188 0.000 -4.715) 9.448 4.200 ( 5.852 0.000 5.423) 7.979 4.297 ( 10.302 0.000 0.270) 10.306 4.376 ( -11.113 0.000 3.378) 11.615 4.482 ( -9.050 0.000 1.092) 9.116 4.852 ( 14.423 0.000 4.123) 15.001 5.074 ( 6.484 0.000 -5.471) 8.484 5.129 ( -12.660 0.000 2.764) 12.959 5.191 ( -5.303 0.000 -6.145) 8.117 5.290 ( 5.023 0.000 0.665) 5.067 5.292 ( -1.011 0.000 6.163) 6.245 5.337 ( -5.605 0.000 -0.185) 5.608 5.417 ( -7.912 0.000 -2.804) 8.394 5.667 ( 2.123 0.000 -1.341) 2.511 5.697 ( -1.110 0.000 -1.626) 1.969 6.249 ( 3.233 0.000 -3.343) 4.651 6.302 ( -2.324 0.000 -2.357) 3.310 6.705 ( 11.999 0.000 -6.672) 13.730 6.896 ( -8.061 0.000 -5.816) 9.940 7.513 ( 5.086 0.000 8.981) 10.321 7.514 ( 11.949 0.000 -4.288) 12.695 7.604 ( -4.477 0.000 6.289) 7.720 7.708 ( -8.618 0.000 -6.271) 10.658 7.876 ( 3.991 0.000 1.380) 4.223 7.952 ( -3.991 0.000 2.293) 4.602 8.777 ( 5.251 0.000 3.805) 6.484 8.866 ( -3.904 0.000 1.730) 4.270 9.198 ( 2.249 0.000 -9.242) 9.511 9.234 ( -1.419 0.000 -6.231) 6.391 9.245 ( 2.496 0.000 -5.869) 6.378 9.287 ( -1.014 0.000 -4.875) 4.979 9.377 ( 1.660 0.000 0.001) 1.660 9.414 ( -2.245 0.000 -2.705) 3.515 10.464 ( 0.347 0.000 -18.833) 18.836 10.477 ( -0.980 0.000 -18.212) 18.238 10.646 ( 9.974 0.000 -2.971) 10.407 10.860 ( -12.864 0.000 -3.403) 13.307 11.383 ( 7.654 0.000 -9.424) 12.140 11.493 ( -2.393 0.000 -11.603) 11.847 11.575 ( 2.371 0.000 -15.573) 15.752 11.674 ( -6.953 0.000 -11.192) 13.176 11.769 ( 1.362 0.000 8.385) 8.495 11.790 ( -0.620 0.000 7.419) 7.445 12.338 ( 5.988 0.000 9.990) 11.647 12.461 ( -6.790 0.000 9.665) 11.812 12.545 ( 10.346 0.000 2.612) 10.671 12.738 ( -10.226 0.000 0.489) 10.238 13.464 ( 12.666 0.000 3.499) 13.141 13.596 ( 2.453 0.000 -4.318) 4.966 13.638 ( -1.934 0.000 -3.942) 4.391 13.651 ( -6.532 0.000 -0.679) 6.567 14.122 ( 2.721 0.000 1.361) 3.042 14.200 ( -5.365 0.000 2.600) 5.962 15.072 ( -0.161 0.000 3.606) 3.610 15.106 ( -4.269 0.000 3.002) 5.219 16.262 ( 9.038 0.000 10.230) 13.651 16.463 ( -12.754 0.000 10.038) 16.231 18.617 ( 0.599 0.000 3.365) 3.418 18.629 ( -0.634 0.000 3.625) 3.680 19.199 ( 1.093 0.000 -3.454) 3.623 19.219 ( -1.043 0.000 -3.223) 3.387 20.480 ( 4.266 0.000 3.351) 5.425 20.568 ( -4.751 0.000 4.040) 6.236 21.476 ( 10.093 0.000 -10.922) 14.871 21.615 ( -4.695 0.000 -7.384) 8.750 22.311 ( 2.476 0.000 3.270) 4.102 22.364 ( -2.892 0.000 2.597) 3.887 22.462 ( 2.984 0.000 5.081) 5.893 22.537 ( -5.219 0.000 2.988) 6.014 23.114 ( 3.183 0.000 2.875) 4.289 23.175 ( -3.212 0.000 1.914) 3.739 23.827 ( 13.229 0.000 -7.605) 15.259 24.060 ( -11.756 0.000 -7.477) 13.932 ======================= Grid point 95 (34/90) ======================= q-point: ( 0.00 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( 0.000 9.741 25.031) 26.860 1.500 ( 0.000 26.533 21.034) 33.859 2.363 ( 0.000 9.291 34.834) 36.052 2.595 ( 0.000 6.451 16.188) 17.426 2.657 ( 0.000 15.744 4.474) 16.367 2.675 ( 0.000 15.162 8.554) 17.408 3.305 ( 0.000 6.160 -2.648) 6.705 3.347 ( 0.000 -6.605 -4.412) 7.944 3.496 ( 0.000 -3.869 0.590) 3.913 3.545 ( 0.000 6.877 -4.274) 8.097 3.802 ( 0.000 -4.132 -3.660) 5.520 3.930 ( 0.000 -0.609 3.309) 3.365 4.097 ( 0.000 -4.874 6.318) 7.980 4.256 ( 0.000 11.480 -7.287) 13.597 4.374 ( 0.000 16.497 -1.474) 16.562 4.765 ( 0.000 3.122 2.138) 3.784 4.796 ( 0.000 -4.854 0.794) 4.918 4.928 ( 0.000 -8.441 0.107) 8.442 5.097 ( 0.000 3.892 7.887) 8.794 5.296 ( 0.000 -1.853 -5.155) 5.478 5.419 ( 0.000 6.587 -5.575) 8.629 5.462 ( 0.000 -0.233 9.542) 9.545 5.525 ( 0.000 -0.825 -6.608) 6.659 5.602 ( 0.000 -2.757 -4.252) 5.068 5.738 ( 0.000 9.788 -2.242) 10.041 5.851 ( 0.000 11.918 -2.513) 12.180 6.128 ( 0.000 3.105 2.438) 3.947 6.323 ( 0.000 1.491 4.005) 4.274 6.511 ( 0.000 8.284 -7.923) 11.463 7.003 ( 0.000 -2.754 -2.971) 4.051 7.139 ( 0.000 -2.288 -2.137) 3.131 7.482 ( 0.000 8.005 10.491) 13.196 7.724 ( 0.000 -3.626 -5.202) 6.341 7.804 ( 0.000 6.838 5.133) 8.550 7.910 ( 0.000 4.400 -4.937) 6.613 8.066 ( 0.000 1.747 1.250) 2.149 8.652 ( 0.000 -2.078 6.798) 7.109 8.868 ( 0.000 -6.704 3.323) 7.483 9.097 ( 0.000 -6.175 -8.404) 10.428 9.130 ( 0.000 -1.942 -0.271) 1.961 9.132 ( 0.000 -2.557 -11.616) 11.894 9.313 ( 0.000 -3.240 -12.887) 13.288 9.536 ( 0.000 9.083 -1.633) 9.228 9.565 ( 0.000 15.682 -5.196) 16.520 10.294 ( 0.000 -10.362 -10.946) 15.073 10.378 ( 0.000 -7.567 -20.738) 22.076 10.510 ( 0.000 -0.950 -6.880) 6.945 11.097 ( 0.000 -5.715 -4.622) 7.350 11.185 ( 0.000 -10.162 -15.233) 18.312 11.427 ( 0.000 -2.917 -15.659) 15.928 11.471 ( 0.000 -7.901 -2.955) 8.435 11.563 ( 0.000 -13.470 2.722) 13.742 11.814 ( 0.000 5.545 8.005) 9.738 12.019 ( 0.000 7.190 -1.493) 7.344 12.188 ( 0.000 -0.263 8.742) 8.746 12.399 ( 0.000 12.274 9.693) 15.640 12.726 ( 0.000 9.484 5.942) 11.192 12.762 ( 0.000 -11.544 0.640) 11.562 13.147 ( 0.000 -1.813 9.460) 9.633 13.597 ( 0.000 -4.764 -3.393) 5.849 13.677 ( 0.000 -2.658 -5.792) 6.372 13.789 ( 0.000 15.835 -8.426) 17.937 14.125 ( 0.000 2.540 1.889) 3.166 14.325 ( 0.000 -1.262 4.941) 5.099 15.107 ( 0.000 0.435 3.616) 3.642 15.282 ( 0.000 -1.348 -2.773) 3.083 16.033 ( 0.000 -4.380 9.232) 10.218 16.297 ( 0.000 -38.147 17.458) 41.952 18.740 ( 0.000 10.490 3.243) 10.979 19.274 ( 0.000 8.922 -3.306) 9.515 19.314 ( 0.000 7.016 -2.790) 7.550 19.329 ( 0.000 46.343 -20.152) 50.535 20.390 ( 0.000 -2.032 2.578) 3.282 20.624 ( 0.000 -0.368 1.716) 1.755 21.148 ( 0.000 0.056 -4.367) 4.368 21.623 ( 0.000 -3.398 -2.826) 4.420 22.267 ( 0.000 0.053 4.991) 4.991 22.384 ( 0.000 -0.660 5.945) 5.982 22.431 ( 0.000 -0.066 3.393) 3.394 22.693 ( 0.000 -1.533 -2.974) 3.346 23.073 ( 0.000 0.035 3.650) 3.650 23.276 ( 0.000 -7.444 -1.167) 7.535 23.322 ( 0.000 -1.130 3.848) 4.010 24.157 ( 0.000 -14.789 -4.236) 15.384 ======================= Grid point 96 (35/90) ======================= q-point: ( 0.20 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( 12.722 11.778 22.802) 28.644 1.630 ( 12.920 19.679 18.983) 30.241 2.376 ( -5.682 7.833 16.864) 19.443 2.407 ( -12.112 13.795 13.732) 22.925 2.619 ( 6.821 8.420 24.890) 27.147 2.885 ( 10.078 15.649 4.784) 19.218 3.245 ( -5.157 8.625 -3.504) 10.643 3.379 ( 1.319 -5.560 -4.666) 7.377 3.469 ( -1.217 -4.951 -1.086) 5.212 3.626 ( -7.101 -3.084 3.032) 8.314 3.644 ( 5.504 6.503 -4.269) 9.529 4.052 ( 2.077 -5.279 3.944) 6.909 4.120 ( 4.287 -1.762 0.574) 4.670 4.182 ( -3.276 13.401 0.384) 13.801 4.494 ( 8.213 9.802 -4.740) 13.639 4.706 ( -6.579 6.795 2.634) 9.819 4.786 ( -3.857 -3.223 6.228) 8.003 4.897 ( 0.298 -5.545 -5.020) 7.485 5.077 ( -0.034 -1.267 2.888) 3.154 5.274 ( -0.995 -0.995 -2.683) 3.029 5.352 ( -9.959 -3.641 7.844) 13.190 5.422 ( 0.318 6.636 -5.345) 8.527 5.543 ( -1.617 3.683 -4.196) 5.813 5.563 ( -4.187 0.302 -2.346) 4.809 5.721 ( -0.172 8.272 -0.716) 8.304 5.818 ( -2.556 10.286 -0.308) 10.603 6.185 ( 4.745 2.376 -1.468) 5.506 6.328 ( -0.260 0.726 1.046) 1.300 6.570 ( 6.727 7.535 -7.184) 12.395 6.979 ( -2.578 -1.875 -4.221) 5.290 7.255 ( 10.495 -2.923 -2.736) 11.233 7.504 ( 2.318 6.720 10.063) 12.321 7.681 ( -3.846 -1.813 -1.746) 4.596 7.795 ( -1.948 2.877 1.517) 3.791 7.915 ( 0.873 5.924 -2.824) 6.621 8.045 ( -2.049 2.433 1.060) 3.352 8.687 ( 3.651 -1.146 5.951) 7.075 8.866 ( -0.141 -4.511 3.444) 5.677 9.083 ( -0.814 -5.947 -6.750) 9.033 9.096 ( -0.978 -4.448 -6.423) 7.873 9.195 ( 2.994 -3.428 -6.616) 8.030 9.301 ( -1.197 -3.696 -12.209) 12.812 9.536 ( 0.153 9.884 -1.397) 9.984 9.570 ( 0.132 14.346 -4.548) 15.050 10.315 ( 1.641 -10.785 -13.532) 17.381 10.368 ( -0.864 -8.723 -19.416) 21.303 10.545 ( 3.851 0.030 -5.855) 7.008 11.014 ( -8.955 -7.135 -5.329) 12.630 11.205 ( 3.620 -6.179 -9.401) 11.818 11.434 ( -0.044 -6.092 -10.574) 12.203 11.469 ( 0.444 -7.042 -11.375) 13.385 11.584 ( 1.085 -11.579 -1.464) 11.721 11.814 ( 0.073 5.069 7.586) 9.124 11.960 ( -4.805 7.417 0.601) 8.858 12.226 ( 3.729 -0.930 8.456) 9.288 12.484 ( 7.205 11.225 8.276) 15.697 12.633 ( -6.805 1.099 3.963) 7.952 12.801 ( 0.897 -1.928 2.396) 3.203 13.228 ( 8.379 -1.147 8.036) 11.666 13.597 ( -0.137 -4.644 -3.296) 5.696 13.657 ( -1.738 0.576 -5.133) 5.450 13.775 ( -1.689 10.069 -6.199) 11.944 14.123 ( 0.010 1.832 2.030) 2.734 14.289 ( -3.754 -0.606 4.266) 5.715 15.095 ( -1.136 0.647 3.447) 3.687 15.206 ( -6.520 -1.240 0.369) 6.647 16.064 ( 3.185 -5.885 9.458) 11.586 16.281 ( -1.925 -30.329 14.985) 33.883 18.757 ( 1.847 11.795 3.013) 12.313 19.139 ( -12.245 29.877 -7.624) 33.177 19.289 ( 0.811 10.195 -3.562) 10.830 19.350 ( -0.253 16.305 -6.096) 17.409 20.403 ( 1.903 -1.792 2.652) 3.724 20.625 ( -1.586 -0.477 2.784) 3.240 21.257 ( 10.113 -0.925 -9.608) 13.980 21.624 ( -0.469 -3.391 -4.275) 5.476 22.279 ( 1.259 0.187 4.441) 4.620 22.393 ( 0.330 -0.499 4.832) 4.869 22.424 ( -0.204 -0.265 4.092) 4.105 22.632 ( -5.719 -1.558 -0.659) 5.964 23.068 ( 0.892 -0.364 4.181) 4.291 23.222 ( -2.447 -1.163 1.408) 3.053 23.497 ( 12.716 -6.635 -2.490) 14.558 24.096 ( -6.186 -13.104 -4.420) 15.149 ======================= Grid point 97 (36/90) ======================= q-point: ( 0.40 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( 17.324 15.592 17.695) 29.264 1.921 ( 16.840 9.254 17.396) 25.920 2.097 ( -16.987 16.520 12.483) 26.782 2.215 ( -13.769 5.030 17.102) 22.525 2.863 ( 15.787 5.519 14.668) 22.246 3.041 ( 5.674 11.117 4.767) 13.361 3.124 ( -6.428 11.764 -1.611) 13.502 3.253 ( -12.240 -1.656 0.653) 12.369 3.514 ( 4.468 -3.677 -0.905) 5.857 3.559 ( -0.752 -3.807 5.420) 6.666 3.817 ( 11.223 9.619 -4.590) 15.477 4.022 ( -8.963 12.173 -2.132) 15.266 4.101 ( 4.895 -7.254 5.667) 10.426 4.224 ( -2.722 -4.644 4.363) 6.929 4.501 ( -2.802 8.404 -0.331) 8.865 4.573 ( -6.744 5.941 1.455) 9.105 4.825 ( 11.412 -0.927 3.941) 12.109 4.981 ( 4.636 -4.622 -3.671) 7.506 5.047 ( -4.724 -4.295 -2.735) 6.946 5.124 ( -11.104 -5.031 -0.025) 12.190 5.321 ( 5.354 2.664 1.831) 6.254 5.422 ( -1.669 6.832 -0.984) 7.101 5.466 ( -4.560 4.644 -0.302) 6.516 5.475 ( -3.361 7.921 -1.299) 8.702 5.745 ( 1.929 7.169 -1.192) 7.519 5.779 ( -1.768 8.051 -0.952) 8.298 6.256 ( 2.923 1.275 -2.648) 4.145 6.304 ( -2.187 0.599 -1.345) 2.637 6.739 ( 9.902 3.871 -6.929) 12.690 6.896 ( -6.524 0.397 -5.888) 8.797 7.453 ( 9.073 -3.788 -2.931) 10.260 7.554 ( 0.262 0.455 4.418) 4.449 7.618 ( 0.168 2.023 3.018) 3.637 7.716 ( -6.198 1.961 1.322) 6.634 7.947 ( 2.374 5.842 -0.378) 6.317 7.997 ( -2.877 4.124 0.582) 5.062 8.775 ( 5.136 -0.379 3.298) 6.115 8.849 ( -2.291 -1.637 2.001) 3.454 9.074 ( 0.064 -7.010 -4.632) 8.403 9.084 ( -0.577 -7.140 -4.086) 8.247 9.239 ( 1.925 -4.148 -8.786) 9.905 9.273 ( -1.726 -4.313 -10.825) 11.780 9.544 ( 0.770 11.390 -1.323) 11.493 9.562 ( -0.902 12.639 -2.626) 12.940 10.338 ( 0.876 -10.416 -16.417) 19.462 10.353 ( -0.775 -9.945 -17.751) 20.361 10.654 ( 7.713 -0.680 -3.803) 8.627 10.824 ( -10.316 -3.478 -3.115) 11.323 11.300 ( 5.716 -7.972 -8.779) 13.164 11.393 ( -3.923 -9.794 -8.609) 13.617 11.512 ( 3.504 -4.866 -14.016) 15.245 11.573 ( -2.366 -8.111 -8.980) 12.330 11.826 ( 1.588 4.944 6.657) 8.443 11.877 ( -3.766 6.124 3.960) 8.208 12.323 ( 6.670 -0.899 7.843) 10.335 12.465 ( -8.044 -0.090 7.132) 10.751 12.651 ( 7.403 8.679 4.120) 12.128 12.767 ( -4.418 4.552 3.168) 7.091 13.419 ( 10.310 -2.318 3.866) 11.252 13.560 ( -4.622 -2.578 -1.533) 5.510 13.654 ( 2.110 0.762 -3.312) 4.000 13.720 ( -4.088 3.888 -3.138) 6.456 14.137 ( 1.929 0.863 2.193) 3.046 14.202 ( -4.791 0.233 2.993) 5.654 15.078 ( -0.269 0.831 3.233) 3.349 15.104 ( -3.506 0.115 2.959) 4.590 16.141 ( 4.690 -10.251 10.097) 15.133 16.224 ( -4.005 -18.280 11.727) 22.085 18.814 ( 4.515 15.932 2.051) 16.686 18.935 ( -8.778 23.120 -0.839) 24.745 19.310 ( 1.344 10.675 -3.583) 11.341 19.335 ( -1.204 12.202 -4.081) 12.923 20.465 ( 4.512 -1.301 2.915) 5.527 20.557 ( -4.979 -0.833 3.417) 6.096 21.450 ( 9.355 -2.632 -10.856) 14.570 21.582 ( -4.566 -3.360 -7.598) 9.480 22.314 ( 2.466 0.323 3.381) 4.197 22.365 ( -2.702 0.126 2.816) 3.905 22.453 ( 2.847 -0.854 5.069) 5.876 22.525 ( -4.996 -1.156 3.143) 6.015 23.112 ( 3.284 -0.117 2.943) 4.412 23.173 ( -3.019 -0.097 1.904) 3.570 23.735 ( 12.269 -8.216 -5.312) 15.692 23.943 ( -9.914 -10.216 -5.158) 15.141 ======================= Grid point 100 (37/90) ======================= q-point: ( 0.00 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 0.000 16.298 16.614) 23.274 1.986 ( 0.000 19.131 21.239) 28.585 2.587 ( 0.000 9.960 10.981) 14.825 2.869 ( 0.000 14.188 19.375) 24.014 3.008 ( 0.000 13.447 4.255) 14.104 3.032 ( 0.000 18.260 4.679) 18.850 3.245 ( 0.000 2.868 2.279) 3.663 3.287 ( 0.000 -5.650 5.876) 8.152 3.507 ( 0.000 3.265 1.569) 3.623 3.665 ( 0.000 4.796 2.901) 5.605 3.780 ( 0.000 1.734 -5.254) 5.533 3.972 ( 0.000 3.932 0.392) 3.951 3.994 ( 0.000 -2.907 1.603) 3.320 4.435 ( 0.000 -4.077 0.765) 4.148 4.632 ( 0.000 5.361 -1.551) 5.580 4.684 ( 0.000 10.062 -4.423) 10.991 4.808 ( 0.000 -1.373 2.452) 2.810 4.898 ( 0.000 0.942 3.884) 3.997 5.191 ( 0.000 -7.497 -3.349) 8.211 5.241 ( 0.000 8.429 1.996) 8.662 5.462 ( 0.000 1.984 5.516) 5.863 5.481 ( 0.000 -3.565 -2.136) 4.156 5.529 ( 0.000 -3.326 -5.918) 6.788 5.532 ( 0.000 2.504 -4.307) 4.982 5.901 ( 0.000 6.668 -6.959) 9.638 6.072 ( 0.000 10.628 -7.434) 12.970 6.312 ( 0.000 14.170 6.405) 15.551 6.358 ( 0.000 1.940 4.380) 4.791 6.830 ( 0.000 20.241 -5.311) 20.926 6.934 ( 0.000 -3.551 -2.101) 4.126 7.087 ( 0.000 -2.634 -3.366) 4.274 7.644 ( 0.000 -3.441 -5.199) 6.234 7.684 ( 0.000 11.112 7.065) 13.168 7.941 ( 0.000 4.894 4.123) 6.400 8.002 ( 0.000 2.034 -2.957) 3.589 8.101 ( 0.000 2.864 1.103) 3.069 8.576 ( 0.000 -4.760 4.054) 6.252 8.812 ( 0.000 1.374 2.504) 2.856 8.955 ( 0.000 -8.975 -6.362) 11.001 9.056 ( 0.000 -4.249 -9.044) 9.992 9.069 ( 0.000 -4.154 -0.636) 4.203 9.199 ( 0.000 -4.629 -16.233) 16.880 9.736 ( 0.000 4.796 -6.148) 7.798 9.807 ( 0.000 3.136 -14.910) 15.236 10.109 ( 0.000 -2.476 -10.767) 11.048 10.235 ( 0.000 -2.326 -17.553) 17.706 10.465 ( 0.000 -3.148 -1.234) 3.381 10.953 ( 0.000 -7.178 -4.123) 8.278 10.955 ( 0.000 -10.848 -9.128) 14.177 11.277 ( 0.000 -12.587 4.009) 13.210 11.284 ( 0.000 -9.579 -2.473) 9.893 11.321 ( 0.000 -8.734 -15.878) 18.122 11.936 ( 0.000 6.000 5.641) 8.236 12.141 ( 0.000 4.660 0.937) 4.753 12.217 ( 0.000 2.518 8.523) 8.887 12.548 ( 0.000 -9.280 2.385) 9.582 12.678 ( 0.000 13.550 6.826) 15.173 12.980 ( 0.000 14.911 5.012) 15.731 13.127 ( 0.000 0.286 5.723) 5.730 13.478 ( 0.000 -6.204 -0.952) 6.276 13.605 ( 0.000 -4.084 -5.278) 6.673 14.049 ( 0.000 5.247 -3.150) 6.120 14.169 ( 0.000 3.763 -0.441) 3.789 14.296 ( 0.000 -1.303 6.163) 6.299 15.138 ( 0.000 2.579 3.850) 4.634 15.244 ( 0.000 -2.260 -2.074) 3.068 15.676 ( 0.000 -21.158 18.793) 28.299 15.909 ( 0.000 -7.354 7.678) 10.631 19.020 ( 0.000 15.668 3.094) 15.971 19.490 ( 0.000 11.504 -1.827) 11.648 19.514 ( 0.000 10.729 -1.848) 10.887 20.129 ( 0.000 27.832 -26.257) 38.263 20.337 ( 0.000 -1.251 0.840) 1.507 20.630 ( 0.000 1.584 -0.738) 1.747 21.145 ( 0.000 -0.529 -5.988) 6.011 21.514 ( 0.000 -7.333 -3.652) 8.192 22.271 ( 0.000 0.338 5.125) 5.136 22.364 ( 0.000 -1.227 5.714) 5.844 22.432 ( 0.000 0.255 3.602) 3.611 22.640 ( 0.000 -3.689 -1.724) 4.072 23.071 ( 0.000 -0.342 4.102) 4.117 23.117 ( 0.000 -6.616 5.582) 8.656 23.300 ( 0.000 -0.616 2.930) 2.994 23.844 ( 0.000 -14.346 -0.961) 14.378 ======================= Grid point 101 (38/90) ======================= q-point: ( 0.20 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( 12.232 14.932 15.585) 24.809 2.051 ( 6.589 17.904 20.213) 27.795 2.551 ( -4.802 10.330 10.468) 15.471 2.749 ( -13.871 14.415 9.183) 22.012 2.920 ( 2.052 13.922 14.409) 20.141 3.172 ( 5.896 7.036 1.862) 9.367 3.308 ( 3.074 -4.757 3.886) 6.869 3.326 ( 3.653 8.046 0.191) 8.838 3.457 ( -2.663 4.873 4.589) 7.204 3.642 ( -8.363 6.298 0.228) 10.472 3.761 ( 7.622 4.098 0.082) 8.654 3.924 ( -1.179 -5.875 2.616) 6.538 4.121 ( 6.398 3.079 -0.343) 7.109 4.384 ( -3.942 -0.473 3.339) 5.187 4.641 ( 1.113 6.312 -3.944) 7.525 4.744 ( 2.525 0.405 -2.219) 3.386 4.799 ( -9.721 1.096 0.982) 9.832 4.844 ( 4.893 2.106 -0.719) 5.376 5.160 ( -4.401 2.805 -0.231) 5.224 5.241 ( -1.206 2.368 0.514) 2.707 5.290 ( -7.450 -2.433 5.479) 9.562 5.513 ( 2.198 2.413 -5.710) 6.577 5.544 ( 0.427 -0.890 2.406) 2.601 5.606 ( 2.074 1.241 -3.110) 3.939 5.885 ( -0.603 7.765 -5.545) 9.561 6.043 ( -2.963 10.647 -5.927) 12.541 6.321 ( 0.862 10.388 3.626) 11.036 6.355 ( -0.411 2.408 2.764) 3.688 6.840 ( 1.718 16.952 -5.374) 17.866 6.946 ( 0.472 -0.519 -3.953) 4.015 7.183 ( 9.125 -3.573 -3.417) 10.378 7.610 ( -3.417 -1.859 -4.139) 5.680 7.686 ( 0.277 8.476 6.621) 10.759 7.870 ( -5.313 2.274 3.724) 6.875 8.043 ( 2.486 5.128 -1.447) 5.880 8.104 ( 0.210 3.688 0.171) 3.698 8.627 ( 4.963 -4.671 3.315) 7.579 8.814 ( 0.087 0.140 1.335) 1.345 8.961 ( 0.398 -6.638 -5.275) 8.488 9.003 ( -2.873 -4.898 -3.278) 6.556 9.108 ( 1.638 -4.887 -6.644) 8.409 9.180 ( -1.833 -5.151 -15.013) 15.978 9.740 ( 0.393 4.429 -6.366) 7.765 9.795 ( -1.187 2.836 -12.938) 13.298 10.123 ( 1.289 -2.815 -11.747) 12.149 10.211 ( -2.025 -2.163 -15.591) 15.870 10.509 ( 4.230 -3.111 -2.265) 5.718 10.852 ( -5.817 -7.618 -3.787) 10.305 11.034 ( 3.395 -9.150 -7.081) 12.058 11.209 ( -3.623 -12.139 -0.425) 12.675 11.329 ( 1.206 -10.256 -11.080) 15.146 11.343 ( 2.434 -10.403 -6.968) 12.756 11.932 ( -0.098 6.049 5.302) 8.044 12.093 ( -4.275 5.601 1.463) 7.196 12.243 ( 2.745 1.951 7.744) 8.445 12.516 ( -3.585 -7.524 2.695) 8.760 12.750 ( 6.487 12.693 5.672) 15.341 12.964 ( -0.980 13.141 5.591) 14.315 13.217 ( 8.363 0.697 4.607) 9.573 13.498 ( 2.499 -4.939 -0.940) 5.614 13.604 ( -0.467 -3.816 -3.637) 5.292 13.983 ( -8.278 7.506 -4.827) 12.173 14.121 ( -1.884 -2.643 4.535) 5.577 14.281 ( -2.856 -0.199 4.328) 5.189 15.123 ( -1.251 1.557 3.243) 3.808 15.193 ( -3.546 1.291 1.153) 3.946 15.755 ( 6.374 -19.310 14.269) 24.842 15.913 ( 0.227 -8.624 7.880) 11.685 19.057 ( 3.946 16.148 2.619) 16.828 19.454 ( -4.377 11.940 -1.933) 12.863 19.531 ( 2.209 11.831 -1.994) 12.199 19.952 ( -14.307 26.127 -16.431) 34.019 20.366 ( 3.131 0.004 0.245) 3.140 20.631 ( -1.868 1.797 -0.006) 2.592 21.219 ( 7.042 -2.986 -9.887) 12.500 21.514 ( -0.572 -7.419 -5.226) 9.093 22.286 ( 1.540 0.495 4.587) 4.864 22.376 ( 1.101 -1.091 5.322) 5.543 22.421 ( -1.017 0.079 3.771) 3.906 22.583 ( -5.015 -3.062 0.624) 5.909 23.057 ( 1.519 -0.614 4.762) 5.036 23.196 ( 2.097 -1.389 1.477) 2.917 23.352 ( 7.369 -5.993 2.378) 9.791 23.807 ( -3.911 -13.678 -1.381) 14.293 ======================= Grid point 102 (39/90) ======================= q-point: ( 0.40 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.048 ( 18.629 12.791 14.145) 26.660 2.209 ( 9.187 14.696 18.410) 25.284 2.398 ( -11.810 12.892 11.134) 20.728 2.452 ( -15.541 15.690 11.358) 24.833 3.025 ( 8.298 4.511 5.421) 10.890 3.199 ( -8.980 -1.426 -0.790) 9.126 3.282 ( 4.660 9.915 1.888) 11.117 3.377 ( -4.962 7.700 2.119) 9.403 3.453 ( 6.485 -1.029 2.370) 6.981 3.561 ( -4.082 6.185 4.642) 8.745 3.931 ( 11.026 -0.105 1.367) 11.111 3.981 ( 5.451 -2.031 3.340) 6.708 4.173 ( -0.088 5.912 2.599) 6.459 4.279 ( -9.021 4.969 4.902) 11.407 4.614 ( -3.727 3.506 -4.778) 7.000 4.628 ( -4.425 0.636 0.723) 4.529 4.832 ( 7.689 0.037 -1.370) 7.810 4.934 ( 2.045 -3.251 -2.331) 4.493 5.047 ( -5.904 4.942 2.902) 8.228 5.085 ( -6.892 3.498 -1.599) 7.893 5.369 ( 7.436 2.006 4.362) 8.851 5.494 ( -5.072 1.412 3.060) 6.089 5.565 ( 2.342 3.850 -2.741) 5.275 5.602 ( -1.659 3.590 -0.476) 3.983 5.910 ( 3.045 8.356 -4.818) 10.115 5.977 ( -3.788 9.808 -4.794) 11.556 6.334 ( 0.537 5.477 1.075) 5.607 6.345 ( -0.603 4.011 0.840) 4.142 6.890 ( 3.097 10.680 -5.944) 12.609 6.936 ( -1.589 4.247 -5.510) 7.136 7.369 ( 9.742 -3.811 -4.433) 11.361 7.520 ( -6.333 -2.308 -4.355) 8.025 7.705 ( 2.158 5.509 7.032) 9.190 7.772 ( -4.818 2.686 5.730) 7.954 8.081 ( 1.597 6.285 -1.161) 6.588 8.102 ( -0.608 5.421 -1.007) 5.547 8.731 ( 5.353 -4.684 1.391) 7.247 8.802 ( -1.988 -2.882 -0.109) 3.503 8.961 ( -0.275 -3.465 -2.209) 4.119 8.968 ( -0.854 -4.153 -3.187) 5.304 9.127 ( 0.665 -6.001 -9.243) 11.041 9.145 ( -1.515 -6.321 -12.079) 13.717 9.751 ( 0.786 3.458 -7.324) 8.137 9.770 ( -1.300 2.717 -9.573) 10.036 10.148 ( 1.335 -2.866 -12.789) 13.175 10.175 ( -1.644 -2.367 -13.760) 14.058 10.609 ( 6.333 -3.171 -2.182) 7.411 10.735 ( -6.798 -4.545 -1.976) 8.412 11.088 ( 2.859 -11.332 -5.292) 12.830 11.146 ( -3.234 -12.786 -3.644) 13.683 11.356 ( 1.455 -10.633 -11.784) 15.939 11.370 ( 0.261 -11.139 -9.629) 14.727 11.948 ( 2.142 6.534 4.055) 7.982 12.010 ( -4.248 6.609 2.449) 8.230 12.317 ( 5.062 -0.122 6.101) 7.928 12.422 ( -5.908 -3.518 4.094) 8.002 12.870 ( 5.457 11.453 4.416) 13.433 12.940 ( -2.131 11.248 4.778) 12.405 13.397 ( 9.922 0.273 2.733) 10.295 13.540 ( -3.536 0.267 -0.054) 3.546 13.609 ( 5.962 -4.115 -0.637) 7.272 13.784 ( -11.254 2.215 -1.632) 11.586 14.124 ( 2.049 -2.772 3.945) 5.239 14.196 ( -5.211 -1.552 3.885) 6.682 15.114 ( 0.556 2.832 2.611) 3.892 15.141 ( -2.162 4.134 2.493) 5.289 15.858 ( 4.205 -15.689 10.249) 19.206 15.907 ( -1.197 -11.792 8.555) 14.617 19.166 ( 7.694 16.788 1.098) 18.500 19.327 ( -8.722 15.041 -1.068) 17.419 19.596 ( 4.780 14.839 -3.148) 15.904 19.721 ( -9.366 20.708 -6.785) 23.719 20.447 ( 5.396 0.921 0.480) 5.495 20.554 ( -5.598 1.503 0.876) 5.863 21.361 ( 7.307 -6.270 -10.587) 14.310 21.471 ( -4.242 -7.519 -8.116) 11.849 22.324 ( 2.452 0.666 3.703) 4.491 22.370 ( -2.155 0.386 3.393) 4.037 22.429 ( 2.385 -1.364 5.010) 5.714 22.492 ( -4.283 -1.941 3.620) 5.934 23.114 ( 3.812 0.414 3.021) 4.882 23.178 ( -2.768 0.810 1.809) 3.404 23.533 ( 10.174 -10.332 -1.045) 14.538 23.700 ( -7.508 -12.178 -1.960) 14.440 ======================= Grid point 105 (40/90) ======================= q-point: ( 0.00 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.989 ( 0.000 17.937 9.191) 20.155 2.323 ( 0.000 13.981 18.094) 22.866 2.669 ( 0.000 -5.941 4.276) 7.320 2.956 ( 0.000 7.790 8.261) 11.355 2.968 ( 0.000 -11.818 9.333) 15.059 3.319 ( 0.000 4.112 4.690) 6.237 3.411 ( 0.000 9.860 1.323) 9.948 3.465 ( 0.000 -8.040 10.002) 12.833 3.500 ( 0.000 13.739 9.289) 16.584 3.866 ( 0.000 3.651 -6.897) 7.804 3.882 ( 0.000 21.288 10.433) 23.707 4.031 ( 0.000 1.190 -3.102) 3.322 4.081 ( 0.000 12.073 -2.408) 12.311 4.205 ( 0.000 -11.131 2.118) 11.331 4.748 ( 0.000 -8.246 5.688) 10.018 4.763 ( 0.000 -0.466 -3.002) 3.038 4.810 ( 0.000 -3.523 -0.751) 3.602 4.945 ( 0.000 10.551 -5.389) 11.848 5.109 ( 0.000 4.030 1.126) 4.184 5.203 ( 0.000 -8.209 4.225) 9.232 5.439 ( 0.000 -6.196 -6.522) 8.996 5.452 ( 0.000 -5.274 -0.488) 5.297 5.523 ( 0.000 4.486 -0.427) 4.506 5.560 ( 0.000 1.583 -2.872) 3.279 6.105 ( 0.000 13.069 -6.316) 14.515 6.334 ( 0.000 11.670 -2.627) 11.962 6.403 ( 0.000 3.823 1.875) 4.258 6.580 ( 0.000 8.305 6.858) 10.771 6.885 ( 0.000 0.071 -0.898) 0.901 7.011 ( 0.000 -3.220 -3.807) 4.986 7.253 ( 0.000 17.626 -4.584) 18.212 7.598 ( 0.000 -1.217 -5.661) 5.790 7.924 ( 0.000 7.994 3.092) 8.571 7.948 ( 0.000 -5.499 -0.013) 5.499 7.970 ( 0.000 2.394 4.371) 4.984 8.200 ( 0.000 4.988 0.603) 5.025 8.487 ( 0.000 -3.587 2.775) 4.535 8.698 ( 0.000 -14.933 -4.024) 15.466 8.917 ( 0.000 8.293 -1.393) 8.409 8.982 ( 0.000 -2.128 -8.106) 8.380 8.987 ( 0.000 -3.080 -2.277) 3.830 9.171 ( 0.000 0.958 -17.421) 17.448 9.603 ( 0.000 -12.047 -13.210) 17.879 9.663 ( 0.000 -12.132 -21.920) 25.054 10.310 ( 0.000 4.930 -8.067) 9.455 10.315 ( 0.000 17.013 -6.914) 18.364 10.396 ( 0.000 -2.984 0.444) 3.017 10.782 ( 0.000 -5.202 -7.095) 8.798 10.844 ( 0.000 -2.886 -3.911) 4.861 11.050 ( 0.000 -9.548 0.416) 9.557 11.095 ( 0.000 -11.997 -10.461) 15.917 11.099 ( 0.000 -7.891 -2.082) 8.161 12.059 ( 0.000 6.083 3.852) 7.200 12.210 ( 0.000 1.886 2.272) 2.952 12.262 ( 0.000 1.426 6.140) 6.304 12.375 ( 0.000 -7.479 2.783) 7.980 12.934 ( 0.000 11.273 3.574) 11.825 13.165 ( 0.000 2.890 2.345) 3.722 13.282 ( 0.000 10.773 5.082) 11.912 13.348 ( 0.000 -6.145 0.297) 6.152 13.545 ( 0.000 1.121 -2.742) 2.963 13.980 ( 0.000 -8.626 5.696) 10.337 14.273 ( 0.000 3.205 -1.874) 3.712 14.281 ( 0.000 -0.001 6.530) 6.530 15.175 ( 0.000 -0.386 6.705) 6.716 15.195 ( 0.000 -2.268 -0.435) 2.310 15.449 ( 0.000 -0.561 8.070) 8.090 15.740 ( 0.000 -8.876 5.845) 10.628 19.342 ( 0.000 14.666 3.191) 15.009 19.660 ( 0.000 2.253 1.417) 2.661 19.745 ( 0.000 12.509 -1.098) 12.557 20.179 ( 0.000 -7.398 -0.060) 7.399 20.641 ( 0.000 15.882 -20.941) 26.283 20.715 ( 0.000 6.787 -5.034) 8.450 21.123 ( 0.000 -1.453 -8.547) 8.670 21.326 ( 0.000 -10.508 -4.964) 11.621 22.283 ( 0.000 0.842 5.249) 5.316 22.335 ( 0.000 -1.506 5.479) 5.682 22.445 ( 0.000 1.115 3.677) 3.843 22.554 ( 0.000 -4.194 1.291) 4.388 23.032 ( 0.000 -1.731 6.652) 6.873 23.055 ( 0.000 -1.264 4.841) 5.003 23.315 ( 0.000 2.454 1.665) 2.966 23.585 ( 0.000 -10.682 -0.297) 10.686 ======================= Grid point 106 (41/90) ======================= q-point: ( 0.20 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( 9.789 16.884 8.497) 21.286 2.378 ( 5.588 14.400 17.942) 23.675 2.703 ( 3.224 -3.229 3.086) 5.509 2.874 ( -5.748 4.983 8.855) 11.674 3.011 ( -0.011 -5.192 8.676) 10.111 3.125 ( -11.554 3.431 5.498) 13.247 3.370 ( -5.827 -6.480 6.599) 10.931 3.503 ( -2.661 -4.649 6.178) 8.177 3.570 ( 5.848 17.525 4.246) 18.957 3.834 ( 0.268 7.990 -2.577) 8.399 3.875 ( -6.123 5.637 -2.568) 8.710 3.978 ( 7.329 17.291 6.287) 19.805 4.209 ( 3.481 -5.556 2.567) 7.042 4.225 ( 4.025 1.832 -0.274) 4.431 4.693 ( -4.835 -7.549 -0.642) 8.988 4.742 ( -2.435 -1.317 -1.901) 3.359 4.822 ( 1.369 -3.299 1.162) 3.757 4.930 ( -0.830 11.262 -5.151) 12.411 5.139 ( 1.625 -1.482 -0.262) 2.214 5.243 ( 0.537 0.458 5.873) 5.915 5.327 ( -4.003 0.518 -0.154) 4.040 5.503 ( 4.230 -4.318 -4.368) 7.457 5.542 ( -0.711 0.800 1.197) 1.606 5.595 ( 2.636 -1.461 0.123) 3.016 6.100 ( -0.119 12.863 -5.996) 14.192 6.296 ( -4.314 13.355 -4.518) 14.744 6.379 ( -0.839 0.448 1.874) 2.102 6.534 ( -4.305 5.842 4.467) 8.521 6.949 ( 5.499 2.620 -1.992) 6.409 7.093 ( 7.516 -1.089 -2.638) 8.040 7.236 ( -1.377 14.327 -5.086) 15.265 7.573 ( -3.024 -1.608 -6.099) 6.995 7.850 ( -3.708 0.774 4.991) 6.266 7.916 ( -2.960 9.847 2.488) 10.579 8.049 ( 4.743 -4.557 0.954) 6.646 8.205 ( 0.018 4.111 0.004) 4.111 8.526 ( 4.094 -4.201 1.889) 6.163 8.734 ( 3.515 -11.507 -3.491) 12.528 8.884 ( -4.380 1.942 -4.645) 6.674 8.947 ( -0.402 0.567 2.238) 2.343 9.025 ( 1.689 -1.069 -9.136) 9.352 9.153 ( -1.804 2.058 -17.099) 17.316 9.592 ( -0.991 -13.225 -13.383) 18.841 9.640 ( -2.205 -12.910 -20.480) 24.310 10.314 ( 0.340 8.112 -6.679) 10.513 10.320 ( 0.485 15.352 -7.680) 17.172 10.440 ( 4.411 -2.934 -0.491) 5.320 10.734 ( -3.342 -3.154 -4.393) 6.357 10.877 ( 1.365 -5.455 -4.116) 6.968 10.995 ( -4.490 -7.767 0.648) 8.995 11.090 ( 0.372 -12.463 -10.435) 16.259 11.117 ( 0.490 -10.925 -4.912) 11.988 12.059 ( 0.375 6.305 3.364) 7.156 12.190 ( -2.047 3.576 2.092) 4.621 12.270 ( 0.934 0.166 5.236) 5.321 12.369 ( -0.900 -6.498 2.748) 7.113 12.992 ( 5.450 10.788 3.248) 12.515 13.198 ( 1.072 6.546 3.536) 7.517 13.286 ( 2.986 4.134 2.499) 5.679 13.396 ( 4.599 -4.196 1.562) 6.419 13.554 ( 0.994 1.918 -1.438) 2.595 13.982 ( 0.456 -8.617 5.460) 10.211 14.109 ( -12.624 3.654 1.851) 13.272 14.260 ( -5.626 -2.316 4.163) 7.373 15.153 ( 1.318 2.317 3.040) 4.043 15.270 ( 2.732 3.667 2.236) 5.090 15.481 ( 3.943 -6.606 7.916) 11.038 15.725 ( -1.661 -9.469 5.896) 11.277 19.381 ( 4.065 14.552 2.736) 15.355 19.695 ( 3.758 2.621 1.123) 4.718 19.710 ( -3.700 12.445 -0.839) 13.010 20.123 ( -6.389 -5.063 -1.254) 8.248 20.579 ( -2.395 16.237 -13.085) 20.991 20.739 ( -0.833 9.038 -5.967) 10.862 21.126 ( 1.391 -5.972 -9.715) 11.488 21.320 ( -1.268 -11.211 -6.582) 13.063 22.300 ( 1.747 0.896 4.825) 5.209 22.350 ( 1.509 -1.382 5.345) 5.723 22.431 ( -1.488 0.908 3.803) 4.183 22.516 ( -3.391 -3.194 2.555) 5.313 23.053 ( 3.397 0.552 4.871) 5.964 23.149 ( 7.296 -3.286 3.360) 8.679 23.302 ( -1.143 1.327 1.922) 2.600 23.557 ( -3.021 -10.401 -0.341) 10.836 ======================= Grid point 107 (42/90) ======================= q-point: ( 0.40 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.332 ( 15.972 14.607 8.178) 23.138 2.497 ( 4.531 14.031 16.740) 22.307 2.700 ( -5.993 14.755 6.627) 17.250 2.731 ( -11.079 11.902 9.847) 19.010 2.932 ( 4.300 -8.622 0.293) 9.639 3.061 ( -4.020 -10.678 4.950) 12.437 3.275 ( -1.172 -10.313 5.907) 11.943 3.363 ( -8.526 -10.187 4.583) 14.052 3.665 ( 4.595 16.247 2.561) 17.078 3.750 ( -5.034 11.981 0.130) 12.997 3.975 ( 9.323 2.348 1.101) 9.677 4.082 ( 0.275 7.837 1.449) 7.975 4.243 ( 2.927 -2.168 6.706) 7.632 4.288 ( 0.268 5.264 2.582) 5.869 4.628 ( -0.538 -3.868 -4.996) 6.341 4.676 ( -4.221 -1.949 -5.213) 6.985 4.857 ( 2.648 1.888 1.771) 3.703 4.913 ( -2.056 7.905 -2.845) 8.649 5.142 ( -1.123 -0.608 -0.871) 1.546 5.146 ( -3.632 2.862 2.570) 5.290 5.409 ( 6.437 2.184 5.213) 8.566 5.505 ( -3.489 0.233 5.154) 6.229 5.577 ( 3.086 -2.854 -0.655) 4.254 5.613 ( -0.720 -2.338 1.805) 3.040 6.123 ( 3.014 12.067 -5.941) 13.783 6.203 ( -5.072 12.028 -5.837) 14.299 6.389 ( 1.911 0.694 0.433) 2.079 6.449 ( -4.267 2.365 1.273) 5.042 7.055 ( 5.510 7.280 -3.141) 9.655 7.143 ( -3.411 11.398 -3.384) 12.369 7.307 ( 9.444 -2.481 -4.919) 10.933 7.475 ( -7.560 -2.880 -5.847) 9.981 7.820 ( 0.525 4.980 5.497) 7.435 7.857 ( -2.988 8.093 4.059) 9.534 8.128 ( 3.759 -3.049 -0.413) 4.858 8.185 ( -2.212 0.355 -0.639) 2.330 8.630 ( 6.589 -2.678 -0.278) 7.118 8.751 ( -5.351 -0.482 -3.437) 6.378 8.844 ( 3.762 -7.743 -0.507) 8.623 8.921 ( -3.117 -3.604 1.012) 4.871 9.063 ( 2.489 3.022 -11.777) 12.410 9.111 ( -2.539 3.952 -14.939) 15.660 9.579 ( -0.061 -14.872 -14.674) 20.893 9.597 ( -1.940 -14.487 -17.469) 22.777 10.321 ( 0.418 12.376 -6.369) 13.925 10.326 ( 0.018 13.473 -7.723) 15.529 10.545 ( 6.525 -2.658 -0.801) 7.091 10.660 ( -5.173 -2.365 -1.874) 5.988 10.885 ( 0.573 -7.307 -1.643) 7.512 10.921 ( -3.143 -7.737 -1.772) 8.537 11.104 ( 0.915 -13.116 -9.874) 16.443 11.117 ( -0.411 -12.957 -8.419) 15.457 12.085 ( 2.433 6.591 2.353) 7.410 12.140 ( -3.124 5.825 1.911) 6.880 12.297 ( 1.964 -2.130 3.812) 4.788 12.338 ( -2.184 -4.461 2.906) 5.755 13.096 ( 4.975 10.386 2.921) 11.881 13.170 ( -3.018 9.785 3.510) 10.825 13.400 ( 6.821 -1.642 0.963) 7.082 13.473 ( 0.502 -6.790 0.090) 6.809 13.617 ( 8.307 6.369 2.957) 10.877 13.847 ( -14.492 4.689 3.045) 15.533 14.013 ( 3.396 -7.933 5.004) 9.975 14.121 ( -7.808 -5.675 4.843) 10.799 15.208 ( 3.729 6.288 2.542) 7.740 15.268 ( -2.286 7.830 2.550) 8.546 15.582 ( 5.866 -11.369 6.722) 14.452 15.675 ( -3.855 -10.788 6.100) 12.979 19.485 ( 6.732 13.968 1.507) 15.579 19.612 ( -6.455 12.980 0.098) 14.496 19.799 ( 7.322 2.880 0.075) 7.868 19.961 ( -9.678 0.882 -1.431) 9.822 20.593 ( 3.389 13.675 -6.996) 15.730 20.677 ( -4.840 11.252 -4.628) 13.094 21.185 ( 4.415 -10.911 -10.021) 15.458 21.269 ( -4.053 -12.174 -8.544) 15.416 22.341 ( 2.482 0.986 4.194) 4.973 22.380 ( -0.073 0.208 4.340) 4.346 22.403 ( 0.263 -0.794 4.566) 4.642 22.450 ( -3.347 -1.986 4.146) 5.686 23.137 ( 4.931 2.081 2.856) 6.066 23.214 ( -2.361 2.675 1.506) 3.872 23.343 ( 7.008 -7.627 1.524) 10.469 23.473 ( -6.016 -9.567 -0.060) 11.301 ======================= Grid point 110 (43/90) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.335 ( 0.000 -14.310 4.543) 15.013 2.335 ( 0.000 14.310 4.543) 15.013 2.698 ( 0.000 -12.814 14.195) 19.123 2.698 ( 0.000 12.814 14.195) 19.123 3.199 ( 0.000 -12.944 6.952) 14.693 3.199 ( 0.000 12.944 6.952) 14.693 3.427 ( 0.000 -3.054 8.485) 9.018 3.427 ( 0.000 3.054 8.485) 9.018 3.786 ( 0.000 -11.752 0.163) 11.753 3.786 ( 0.000 11.752 0.163) 11.753 4.034 ( 0.000 -1.448 -1.839) 2.341 4.034 ( 0.000 1.448 -1.839) 2.341 4.387 ( 0.000 -18.281 4.282) 18.776 4.387 ( 0.000 18.281 4.282) 18.776 4.478 ( 0.000 -14.002 -3.541) 14.442 4.478 ( 0.000 14.002 -3.541) 14.442 4.941 ( 0.000 -8.818 4.501) 9.900 4.941 ( 0.000 8.818 4.501) 9.900 5.253 ( 0.000 -2.444 -4.641) 5.245 5.253 ( 0.000 2.444 -4.641) 5.245 5.289 ( 0.000 -0.456 0.242) 0.516 5.289 ( 0.000 0.456 0.242) 0.516 5.575 ( 0.000 -0.697 -3.707) 3.772 5.575 ( 0.000 0.697 -3.707) 3.772 6.334 ( 0.000 -6.854 -1.338) 6.984 6.334 ( 0.000 6.854 -1.338) 6.984 6.588 ( 0.000 -6.319 3.835) 7.391 6.588 ( 0.000 6.319 3.835) 7.391 6.941 ( 0.000 -3.544 -2.299) 4.224 6.941 ( 0.000 3.544 -2.299) 4.224 7.528 ( 0.000 -8.154 -6.814) 10.627 7.528 ( 0.000 8.154 -6.814) 10.627 7.878 ( 0.000 -1.152 4.714) 4.852 7.878 ( 0.000 1.152 4.714) 4.852 8.208 ( 0.000 -8.389 -1.678) 8.555 8.208 ( 0.000 8.389 -1.678) 8.555 8.456 ( 0.000 -3.738 1.265) 3.946 8.456 ( 0.000 3.738 1.265) 3.946 8.951 ( 0.000 -0.279 -1.503) 1.528 8.951 ( 0.000 0.279 -1.503) 1.528 9.131 ( 0.000 -8.347 -13.220) 15.635 9.131 ( 0.000 8.347 -13.220) 15.635 9.466 ( 0.000 -3.382 -18.975) 19.274 9.466 ( 0.000 3.382 -18.975) 19.274 10.359 ( 0.000 -0.857 -1.325) 1.578 10.359 ( 0.000 0.857 -1.325) 1.578 10.660 ( 0.000 -12.957 -8.352) 15.415 10.660 ( 0.000 12.957 -8.352) 15.415 10.842 ( 0.000 -4.178 -7.878) 8.917 10.842 ( 0.000 4.178 -7.878) 8.917 10.992 ( 0.000 -1.217 0.454) 1.299 10.992 ( 0.000 1.217 0.454) 1.299 12.183 ( 0.000 -5.256 2.065) 5.647 12.183 ( 0.000 5.256 2.065) 5.647 12.279 ( 0.000 -1.073 4.824) 4.942 12.279 ( 0.000 1.073 4.824) 4.942 13.135 ( 0.000 -7.621 2.733) 8.096 13.135 ( 0.000 7.621 2.733) 8.096 13.309 ( 0.000 -3.099 -1.146) 3.304 13.309 ( 0.000 3.099 -1.146) 3.304 13.744 ( 0.000 -13.388 5.497) 14.472 13.744 ( 0.000 13.388 5.497) 14.472 14.292 ( 0.000 -0.552 4.000) 4.038 14.292 ( 0.000 0.552 4.000) 4.038 15.163 ( 0.000 -0.470 3.189) 3.223 15.163 ( 0.000 0.470 3.189) 3.223 15.558 ( 0.000 -8.350 4.654) 9.560 15.558 ( 0.000 8.350 4.654) 9.560 19.589 ( 0.000 -8.523 3.084) 9.064 19.589 ( 0.000 8.523 3.084) 9.064 19.989 ( 0.000 -10.835 -0.236) 10.838 19.989 ( 0.000 10.835 -0.236) 10.838 20.823 ( 0.000 -0.602 -12.584) 12.599 20.823 ( 0.000 0.602 -12.584) 12.599 21.135 ( 0.000 -5.372 -7.821) 9.488 21.135 ( 0.000 5.372 -7.821) 9.488 22.305 ( 0.000 -1.333 5.339) 5.503 22.305 ( 0.000 1.333 5.339) 5.503 22.483 ( 0.000 -2.590 3.188) 4.107 22.483 ( 0.000 2.590 3.188) 4.107 23.028 ( 0.000 -0.947 5.647) 5.726 23.028 ( 0.000 0.947 5.647) 5.726 23.407 ( 0.000 -6.587 0.579) 6.613 23.407 ( 0.000 6.587 0.579) 6.613 ======================= Grid point 112 (44/90) ======================= q-point: ( 0.20 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.413 ( 8.311 -14.029 3.763) 16.735 2.413 ( 8.311 14.029 3.763) 16.735 2.730 ( 3.267 -13.022 13.624) 19.128 2.730 ( 3.267 13.022 13.624) 19.128 3.134 ( -6.211 -11.252 7.652) 14.958 3.134 ( -6.211 11.252 7.652) 14.958 3.328 ( -10.635 -9.076 6.619) 15.468 3.328 ( -10.634 9.076 6.619) 15.468 3.832 ( 4.380 -7.442 0.086) 8.636 3.832 ( 4.380 7.442 0.086) 8.636 4.008 ( -1.671 -6.982 -0.112) 7.180 4.008 ( -1.671 6.982 -0.112) 7.180 4.406 ( 1.605 -15.823 1.401) 15.966 4.406 ( 1.605 15.823 1.401) 15.966 4.489 ( 0.915 -13.601 -1.695) 13.737 4.489 ( 0.915 13.601 -1.695) 13.737 4.939 ( 0.766 -8.046 3.347) 8.748 4.939 ( 0.766 8.046 3.347) 8.748 5.226 ( -3.730 -8.077 -2.689) 9.294 5.226 ( -3.730 8.077 -2.689) 9.294 5.365 ( 7.050 -7.571 -0.231) 10.348 5.365 ( 7.050 7.571 -0.231) 10.348 5.566 ( -0.841 -1.383 -0.468) 1.685 5.566 ( -0.841 1.383 -0.468) 1.685 6.322 ( -0.790 -6.906 -1.728) 7.163 6.322 ( -0.790 6.906 -1.728) 7.163 6.518 ( -5.869 -6.688 1.308) 8.993 6.518 ( -5.869 6.688 1.308) 8.993 7.033 ( 8.234 -4.296 -1.790) 9.458 7.033 ( 8.234 4.296 -1.790) 9.458 7.481 ( -4.746 -8.387 -5.638) 11.165 7.481 ( -4.746 8.387 -5.638) 11.165 7.907 ( 2.887 -6.628 3.345) 7.966 7.907 ( 2.887 6.628 3.345) 7.966 8.156 ( -4.510 -9.766 -0.899) 10.794 8.156 ( -4.510 9.766 -0.899) 10.794 8.532 ( 6.905 -6.086 0.583) 9.223 8.532 ( 6.905 6.086 0.583) 9.223 8.917 ( -3.681 -2.185 -1.503) 4.537 8.917 ( -3.681 2.185 -1.503) 4.537 9.156 ( 2.666 -7.068 -13.407) 15.389 9.156 ( 2.666 7.068 -13.407) 15.389 9.425 ( -4.140 -3.529 -18.096) 18.896 9.425 ( -4.140 3.529 -18.096) 18.896 10.397 ( 3.873 -1.630 -1.573) 4.487 10.397 ( 3.873 1.630 -1.573) 4.487 10.646 ( -1.667 -11.693 -7.439) 13.958 10.646 ( -1.667 11.693 -7.439) 13.958 10.844 ( 0.360 -4.665 -7.468) 8.812 10.844 ( 0.360 4.665 -7.468) 8.812 10.959 ( -3.095 -2.825 -0.676) 4.245 10.959 ( -3.095 2.825 -0.676) 4.245 12.184 ( 0.505 -5.171 1.906) 5.534 12.184 ( 0.505 5.171 1.906) 5.534 12.278 ( -0.519 -2.200 4.024) 4.615 12.278 ( -0.519 2.200 4.024) 4.615 13.190 ( 5.256 -7.987 2.528) 9.890 13.190 ( 5.256 7.987 2.528) 9.890 13.320 ( 1.072 -4.410 -0.481) 4.563 13.320 ( 1.072 4.410 -0.481) 4.563 13.750 ( 1.036 -12.897 5.421) 14.028 13.750 ( 1.036 12.897 5.421) 14.028 14.190 ( -9.764 -4.046 4.233) 11.385 14.190 ( -9.764 4.046 4.233) 11.385 15.231 ( 6.313 -4.822 3.312) 8.606 15.231 ( 6.313 4.822 3.312) 8.606 15.536 ( -2.372 -8.349 4.506) 9.779 15.536 ( -2.372 8.349 4.506) 9.779 19.626 ( 3.867 -8.510 2.739) 9.740 19.626 ( 3.867 8.510 2.739) 9.740 19.951 ( -3.986 -10.550 -0.059) 11.278 19.951 ( -3.986 10.550 -0.059) 11.278 20.841 ( 1.939 -6.815 -11.648) 13.634 20.841 ( 1.939 6.815 -11.648) 13.634 21.089 ( -4.538 -8.378 -7.586) 12.179 21.089 ( -4.538 8.378 -7.586) 12.179 22.322 ( 1.724 -1.249 5.117) 5.542 22.322 ( 1.724 1.249 5.117) 5.542 22.461 ( -2.088 -2.061 3.628) 4.666 22.461 ( -2.088 2.061 3.628) 4.666 23.085 ( 5.483 -2.492 4.388) 7.451 23.085 ( 5.483 2.492 4.388) 7.451 23.384 ( -2.492 -6.359 0.649) 6.860 23.384 ( -2.492 6.359 0.649) 6.860 ======================= Grid point 114 (45/90) ======================= q-point: ( 0.40 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.629 ( 13.808 -13.393 3.635) 19.577 2.629 ( 13.808 13.393 3.635) 19.577 2.791 ( 0.767 -13.208 10.652) 16.986 2.791 ( 0.767 13.208 10.652) 16.986 3.007 ( -5.515 -10.268 8.287) 14.301 3.007 ( -5.515 10.268 8.287) 14.301 3.080 ( -12.678 -12.806 4.769) 18.640 3.080 ( -12.678 12.806 4.769) 18.640 3.922 ( 4.571 -7.809 1.631) 9.194 3.922 ( 4.571 7.809 1.631) 9.194 3.982 ( -1.803 -10.272 2.082) 10.635 3.982 ( -1.803 10.272 2.082) 10.635 4.442 ( 2.432 -12.372 -1.574) 12.707 4.442 ( 2.432 12.372 -1.574) 12.707 4.487 ( -1.620 -12.704 -1.454) 12.889 4.487 ( -1.620 12.704 -1.454) 12.889 4.999 ( 5.747 -6.805 1.606) 9.051 4.999 ( 5.747 6.805 1.606) 9.051 5.125 ( -6.765 -4.466 -1.717) 8.286 5.125 ( -6.765 4.466 -1.717) 8.286 5.482 ( 4.795 -4.936 2.687) 7.388 5.482 ( 4.795 4.936 2.687) 7.388 5.542 ( -1.946 -3.401 3.795) 5.455 5.542 ( -1.946 3.401 3.795) 5.455 6.331 ( 2.341 -6.609 -2.665) 7.500 6.331 ( 2.341 6.609 -2.665) 7.500 6.408 ( -5.473 -6.268 -1.730) 8.499 6.408 ( -5.473 6.268 -1.730) 8.499 7.202 ( 9.258 -6.125 -2.491) 11.377 7.202 ( 9.258 6.125 -2.491) 11.377 7.362 ( -7.738 -7.828 -3.900) 11.678 7.362 ( -7.738 7.828 -3.900) 11.678 7.977 ( 4.388 -9.502 1.417) 10.562 7.977 ( 4.388 9.502 1.417) 10.562 8.065 ( -4.985 -10.261 0.116) 11.409 8.065 ( -4.985 10.261 0.116) 11.409 8.677 ( 8.150 -6.166 -0.231) 10.222 8.677 ( 8.150 6.166 -0.231) 10.222 8.819 ( -6.691 -4.738 -1.030) 8.263 8.819 ( -6.691 4.738 -1.030) 8.263 9.227 ( 4.858 -5.289 -14.467) 16.151 9.227 ( 4.858 5.289 -14.467) 16.151 9.329 ( -5.731 -4.108 -16.253) 17.717 9.329 ( -5.731 4.108 -16.253) 17.717 10.490 ( 5.673 -3.966 -2.384) 7.321 10.490 ( 5.673 3.966 -2.384) 7.321 10.589 ( -4.515 -7.999 -4.640) 10.291 10.589 ( -4.515 7.999 -4.640) 10.291 10.859 ( 1.383 -5.032 -6.334) 8.207 10.859 ( 1.383 5.032 -6.334) 8.207 10.899 ( -2.885 -4.331 -3.824) 6.458 10.899 ( -2.885 4.331 -3.824) 6.458 12.209 ( 2.106 -4.505 1.833) 5.301 12.209 ( 2.106 4.505 1.833) 5.301 12.252 ( -2.154 -3.371 2.614) 4.778 12.252 ( -2.154 3.371 2.614) 4.778 13.291 ( 4.481 -8.224 1.847) 9.546 13.291 ( 4.481 8.224 1.847) 9.546 13.334 ( -0.228 -6.464 0.843) 6.523 13.334 ( -0.228 6.464 0.843) 6.523 13.810 ( 6.130 -10.643 5.214) 13.343 13.810 ( 6.130 10.643 5.214) 13.343 13.981 ( -11.414 -7.218 4.757) 14.318 13.981 ( -11.414 7.218 4.757) 14.318 15.359 ( 6.797 -7.228 3.664) 10.577 15.359 ( 6.797 7.228 3.664) 10.577 15.469 ( -4.809 -8.143 4.123) 10.317 15.469 ( -4.809 8.143 4.123) 10.317 19.725 ( 6.440 -8.702 1.802) 10.975 19.725 ( 6.440 8.702 1.802) 10.975 19.850 ( -6.547 -9.554 0.668) 11.601 19.850 ( -6.547 9.554 0.668) 11.601 20.897 ( 4.103 -10.694 -9.608) 14.950 20.897 ( 4.103 10.694 -9.608) 14.950 20.990 ( -5.581 -11.088 -7.949) 14.741 20.990 ( -5.581 11.088 -7.949) 14.741 22.364 ( 2.591 -1.186 4.708) 5.503 22.364 ( 2.591 1.186 4.708) 5.503 22.414 ( -2.731 -1.402 4.250) 5.243 22.414 ( -2.731 1.402 4.250) 5.243 23.204 ( 6.643 -4.330 2.329) 8.265 23.204 ( 6.643 4.330 2.329) 8.265 23.315 ( -4.974 -5.632 1.078) 7.591 23.315 ( -4.974 5.632 1.078) 7.591 ======================= Grid point 135 (46/90) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( 0.000 0.000 24.500) 24.500 1.806 ( 0.000 0.000 26.107) 26.107 2.567 ( 0.000 0.000 3.480) 3.480 2.607 ( 0.000 0.000 6.574) 6.574 2.738 ( 0.000 0.000 11.293) 11.293 3.029 ( 0.000 0.000 16.844) 16.844 3.092 ( 0.000 0.000 -7.069) 7.069 3.345 ( 0.000 0.000 -1.187) 1.187 3.438 ( 0.000 0.000 6.696) 6.696 3.585 ( 0.000 0.000 2.302) 2.302 3.792 ( 0.000 0.000 -6.576) 6.576 3.919 ( 0.000 0.000 -8.834) 8.834 4.069 ( 0.000 0.000 5.553) 5.553 4.190 ( 0.000 0.000 5.522) 5.522 4.277 ( 0.000 0.000 6.415) 6.415 4.609 ( 0.000 0.000 -5.428) 5.428 4.835 ( 0.000 0.000 -4.688) 4.688 5.082 ( 0.000 0.000 -1.215) 1.215 5.104 ( 0.000 0.000 -9.945) 9.945 5.230 ( 0.000 0.000 -1.518) 1.518 5.315 ( 0.000 0.000 -3.932) 3.932 5.481 ( 0.000 0.000 14.942) 14.942 5.497 ( 0.000 0.000 -7.337) 7.337 5.651 ( 0.000 0.000 3.823) 3.823 5.723 ( 0.000 0.000 2.806) 2.806 5.725 ( 0.000 0.000 9.364) 9.364 6.096 ( 0.000 0.000 -2.223) 2.223 6.239 ( 0.000 0.000 -5.412) 5.412 6.459 ( 0.000 0.000 5.817) 5.817 6.952 ( 0.000 0.000 -5.078) 5.078 7.092 ( 0.000 0.000 -4.272) 4.272 7.654 ( 0.000 0.000 13.043) 13.043 7.677 ( 0.000 0.000 -10.034) 10.034 7.720 ( 0.000 0.000 -0.565) 0.565 7.883 ( 0.000 0.000 8.879) 8.879 8.113 ( 0.000 0.000 4.831) 4.831 8.850 ( 0.000 0.000 7.981) 7.981 8.880 ( 0.000 0.000 -13.731) 13.731 8.963 ( 0.000 0.000 -9.379) 9.379 8.983 ( 0.000 0.000 0.338) 0.338 9.095 ( 0.000 0.000 -12.022) 12.022 9.187 ( 0.000 0.000 1.578) 1.578 9.406 ( 0.000 0.000 3.722) 3.722 9.432 ( 0.000 0.000 0.581) 0.581 10.069 ( 0.000 0.000 -18.705) 18.705 10.154 ( 0.000 0.000 -16.816) 16.816 10.344 ( 0.000 0.000 -5.947) 5.947 10.888 ( 0.000 0.000 -21.493) 21.493 11.044 ( 0.000 0.000 -5.942) 5.942 11.169 ( 0.000 0.000 -11.955) 11.955 11.521 ( 0.000 0.000 -1.235) 1.235 11.721 ( 0.000 0.000 -7.008) 7.008 11.908 ( 0.000 0.000 6.487) 6.487 11.910 ( 0.000 0.000 5.487) 5.487 12.381 ( 0.000 0.000 7.005) 7.005 12.458 ( 0.000 0.000 13.313) 13.313 12.816 ( 0.000 0.000 10.356) 10.356 12.822 ( 0.000 0.000 -6.500) 6.500 13.357 ( 0.000 0.000 6.590) 6.590 13.408 ( 0.000 0.000 -7.638) 7.638 13.577 ( 0.000 0.000 -6.228) 6.228 13.583 ( 0.000 0.000 -5.614) 5.614 14.139 ( 0.000 0.000 4.275) 4.275 14.399 ( 0.000 0.000 1.356) 1.356 15.161 ( 0.000 0.000 1.677) 1.677 15.247 ( 0.000 0.000 -1.979) 1.979 16.284 ( 0.000 0.000 10.321) 10.321 16.860 ( 0.000 0.000 -3.185) 3.185 18.679 ( 0.000 0.000 4.269) 4.269 18.735 ( 0.000 0.000 5.086) 5.086 19.088 ( 0.000 0.000 -4.823) 4.823 19.167 ( 0.000 0.000 -4.363) 4.363 20.473 ( 0.000 0.000 3.423) 3.423 20.675 ( 0.000 0.000 1.659) 1.659 21.092 ( 0.000 0.000 -0.881) 0.881 21.584 ( 0.000 0.000 -5.060) 5.060 22.361 ( 0.000 0.000 4.172) 4.172 22.480 ( 0.000 0.000 1.576) 1.576 22.482 ( 0.000 0.000 2.558) 2.558 22.637 ( 0.000 0.000 -3.681) 3.681 23.180 ( 0.000 0.000 6.709) 6.709 23.282 ( 0.000 0.000 -1.675) 1.675 23.417 ( 0.000 0.000 4.122) 4.122 24.133 ( 0.000 0.000 -10.824) 10.824 ======================= Grid point 136 (47/90) ======================= q-point: ( 0.20 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( 7.793 0.000 22.773) 24.070 1.938 ( 12.932 0.000 23.150) 26.517 2.402 ( -11.159 0.000 9.578) 14.705 2.675 ( -6.610 0.000 11.905) 13.617 2.717 ( 5.581 0.000 0.971) 5.665 3.036 ( -5.211 0.000 -5.800) 7.797 3.065 ( 3.409 0.000 11.128) 11.639 3.368 ( -5.880 0.000 -2.747) 6.490 3.421 ( 7.398 0.000 -1.914) 7.641 3.574 ( 0.333 0.000 6.357) 6.365 3.853 ( 3.909 0.000 8.740) 9.574 3.873 ( -4.601 0.000 -7.393) 8.708 4.143 ( 7.213 0.000 3.515) 8.024 4.234 ( 1.777 0.000 1.845) 2.562 4.349 ( 9.042 0.000 2.573) 9.401 4.581 ( -3.436 0.000 -4.070) 5.326 4.857 ( 2.722 0.000 -5.781) 6.390 5.022 ( -4.474 0.000 6.860) 8.190 5.089 ( -1.764 0.000 -9.718) 9.877 5.238 ( 0.983 0.000 -1.723) 1.984 5.300 ( -1.232 0.000 -2.668) 2.939 5.416 ( -7.742 0.000 9.032) 11.896 5.447 ( -4.829 0.000 -6.356) 7.982 5.617 ( -10.216 0.000 8.553) 13.323 5.661 ( 1.018 0.000 3.463) 3.610 5.720 ( -0.390 0.000 2.567) 2.597 6.110 ( 2.077 0.000 -3.888) 4.408 6.254 ( 0.562 0.000 -5.065) 5.096 6.502 ( 5.474 0.000 4.988) 7.406 6.931 ( -3.178 0.000 -1.995) 3.752 7.182 ( 8.980 0.000 -7.496) 11.697 7.646 ( -3.489 0.000 -10.004) 10.595 7.665 ( 1.062 0.000 11.301) 11.351 7.715 ( -0.478 0.000 0.739) 0.881 7.907 ( 2.505 0.000 8.701) 9.054 8.094 ( -2.015 0.000 5.434) 5.796 8.856 ( 0.723 0.000 7.554) 7.588 8.901 ( 2.252 0.000 -13.754) 13.937 8.910 ( -2.046 0.000 -2.761) 3.437 9.071 ( 5.562 0.000 -3.422) 6.531 9.077 ( -1.974 0.000 -12.381) 12.538 9.209 ( 1.682 0.000 -0.196) 1.693 9.407 ( 0.082 0.000 3.365) 3.366 9.427 ( -0.447 0.000 0.998) 1.093 10.075 ( 0.630 0.000 -18.387) 18.397 10.143 ( -1.060 0.000 -16.843) 16.876 10.392 ( 4.915 0.000 -6.944) 8.507 10.817 ( -6.459 0.000 -18.728) 19.810 11.104 ( 5.055 0.000 -6.745) 8.429 11.202 ( 3.982 0.000 -11.296) 11.977 11.462 ( -5.753 0.000 -2.119) 6.131 11.656 ( -6.409 0.000 -6.301) 8.988 11.907 ( 0.134 0.000 6.259) 6.260 11.916 ( 0.323 0.000 5.400) 5.409 12.443 ( 5.735 0.000 4.100) 7.050 12.485 ( 2.917 0.000 13.044) 13.367 12.772 ( -4.368 0.000 10.430) 11.307 12.792 ( -3.548 0.000 -6.388) 7.307 13.398 ( 4.981 0.000 5.927) 7.742 13.433 ( 2.424 0.000 -7.269) 7.662 13.566 ( -1.154 0.000 -6.275) 6.380 13.615 ( 2.374 0.000 -4.318) 4.928 14.144 ( 0.602 0.000 3.920) 3.966 14.354 ( -4.485 0.000 1.582) 4.756 15.145 ( -1.417 0.000 1.705) 2.217 15.208 ( -3.610 0.000 -0.849) 3.709 16.329 ( 4.678 0.000 9.811) 10.869 16.780 ( -7.677 0.000 0.036) 7.677 18.684 ( 0.482 0.000 4.317) 4.344 18.728 ( -0.633 0.000 4.961) 5.002 19.096 ( 0.881 0.000 -4.733) 4.814 19.160 ( -0.707 0.000 -4.377) 4.434 20.491 ( 2.389 0.000 4.014) 4.671 20.708 ( 1.180 0.000 3.543) 3.735 21.118 ( 4.196 0.000 -5.013) 6.537 21.555 ( -3.372 0.000 -6.484) 7.308 22.363 ( 0.310 0.000 3.907) 3.919 22.450 ( -2.130 0.000 1.335) 2.514 22.506 ( 1.444 0.000 2.535) 2.917 22.616 ( -2.038 0.000 -2.101) 2.927 23.173 ( 0.132 0.000 5.999) 6.001 23.268 ( -1.302 0.000 2.457) 2.781 23.515 ( 9.021 0.000 -0.562) 9.038 24.070 ( -6.430 0.000 -9.710) 11.646 ======================= Grid point 137 (48/90) ======================= q-point: ( 0.40 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( 12.196 0.000 18.783) 22.395 2.176 ( -12.845 0.000 14.241) 19.179 2.224 ( 16.226 0.000 18.041) 24.264 2.497 ( -12.398 0.000 14.159) 18.820 2.815 ( 5.414 0.000 -1.878) 5.730 2.924 ( -6.260 0.000 -3.833) 7.340 3.142 ( 4.810 0.000 -0.625) 4.850 3.248 ( -6.488 0.000 -7.336) 9.793 3.587 ( 9.584 0.000 -3.582) 10.232 3.657 ( 8.332 0.000 13.042) 15.476 3.754 ( -8.001 0.000 -5.594) 9.763 3.823 ( -7.289 0.000 13.343) 15.204 4.307 ( 9.573 0.000 0.931) 9.618 4.334 ( 8.895 0.000 6.666) 11.115 4.460 ( -1.019 0.000 2.044) 2.284 4.474 ( -7.821 0.000 -1.547) 7.972 4.937 ( 5.425 0.000 -7.621) 9.355 5.010 ( 5.651 0.000 10.497) 11.921 5.033 ( -4.303 0.000 -8.965) 9.944 5.206 ( -12.546 0.000 6.443) 14.104 5.271 ( 2.745 0.000 -2.660) 3.822 5.308 ( 2.288 0.000 -1.425) 2.696 5.346 ( -5.241 0.000 -4.376) 6.828 5.418 ( -9.291 0.000 6.143) 11.139 5.684 ( 1.336 0.000 2.809) 3.111 5.707 ( -0.993 0.000 2.456) 2.649 6.168 ( 3.721 0.000 -5.117) 6.326 6.233 ( -2.778 0.000 -4.957) 5.682 6.657 ( 9.906 0.000 2.075) 10.121 6.828 ( -7.765 0.000 -0.134) 7.766 7.373 ( 10.418 0.000 -9.310) 13.972 7.543 ( -7.529 0.000 -9.857) 12.403 7.686 ( 1.078 0.000 7.496) 7.574 7.703 ( -0.791 0.000 3.721) 3.805 7.970 ( 3.881 0.000 8.121) 9.001 8.041 ( -3.530 0.000 6.839) 7.696 8.874 ( 0.956 0.000 5.265) 5.351 8.888 ( -0.688 0.000 1.376) 1.538 8.958 ( 3.590 0.000 -13.639) 14.104 9.025 ( -3.400 0.000 -13.125) 13.558 9.167 ( 4.378 0.000 -2.463) 5.023 9.219 ( -1.040 0.000 -1.923) 2.186 9.410 ( 0.266 0.000 2.632) 2.646 9.418 ( -0.517 0.000 1.838) 1.909 10.093 ( 1.217 0.000 -17.678) 17.720 10.118 ( -1.470 0.000 -17.080) 17.143 10.515 ( 7.987 0.000 -9.761) 12.612 10.673 ( -8.556 0.000 -14.149) 16.535 11.206 ( 5.985 0.000 -7.497) 9.593 11.314 ( 2.024 0.000 -10.329) 10.525 11.346 ( -0.481 0.000 -2.967) 3.005 11.504 ( -9.336 0.000 -6.232) 11.225 11.912 ( 0.397 0.000 5.838) 5.852 11.918 ( -0.133 0.000 5.362) 5.364 12.563 ( 5.252 0.000 12.183) 13.267 12.565 ( 6.987 0.000 -0.323) 6.994 12.671 ( -6.040 0.000 11.075) 12.615 12.693 ( -6.543 0.000 -4.049) 7.695 13.485 ( 2.924 0.000 -6.740) 7.347 13.528 ( 7.562 0.000 2.749) 8.046 13.534 ( -2.233 0.000 -6.427) 6.804 13.626 ( -2.177 0.000 -1.307) 2.539 14.172 ( 2.780 0.000 3.113) 4.174 14.253 ( -5.628 0.000 2.264) 6.067 15.123 ( -0.438 0.000 1.638) 1.696 15.143 ( -2.627 0.000 0.931) 2.787 16.449 ( 7.908 0.000 8.214) 11.402 16.613 ( -9.426 0.000 5.064) 10.700 18.696 ( 0.835 0.000 4.463) 4.541 18.713 ( -0.925 0.000 4.700) 4.790 19.118 ( 1.315 0.000 -4.562) 4.747 19.142 ( -1.211 0.000 -4.435) 4.598 20.565 ( 5.234 0.000 5.082) 7.296 20.667 ( -4.951 0.000 5.749) 7.587 21.266 ( 10.342 0.000 -9.870) 14.296 21.448 ( -8.245 0.000 -9.202) 12.356 22.376 ( 1.143 0.000 3.107) 3.311 22.407 ( -2.182 0.000 1.898) 2.892 22.537 ( 1.855 0.000 1.982) 2.715 22.574 ( -2.184 0.000 0.481) 2.236 23.195 ( 1.985 0.000 5.308) 5.667 23.236 ( -2.109 0.000 4.455) 4.929 23.709 ( 11.125 0.000 -4.552) 12.020 23.911 ( -10.172 0.000 -7.348) 12.549 ======================= Grid point 140 (49/90) ======================= q-point: ( 0.00 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( 0.000 4.466 24.082) 24.493 1.914 ( 0.000 20.296 20.106) 28.569 2.725 ( 0.000 3.787 9.263) 10.007 2.736 ( 0.000 14.784 2.811) 15.049 2.804 ( 0.000 13.016 9.092) 15.877 3.060 ( 0.000 2.550 12.123) 12.389 3.220 ( 0.000 11.122 -5.707) 12.500 3.323 ( 0.000 -1.476 2.503) 2.906 3.539 ( 0.000 -4.328 2.875) 5.196 3.546 ( 0.000 9.779 6.393) 11.684 3.698 ( 0.000 -4.604 -6.086) 7.631 4.028 ( 0.000 -1.534 7.465) 7.621 4.063 ( 0.000 6.898 -7.410) 10.124 4.264 ( 0.000 1.694 5.457) 5.714 4.364 ( 0.000 12.903 0.860) 12.932 4.702 ( 0.000 -2.773 -6.545) 7.108 4.781 ( 0.000 6.654 -2.043) 6.961 4.929 ( 0.000 -6.137 -0.688) 6.175 5.175 ( 0.000 -1.365 -5.653) 5.815 5.287 ( 0.000 5.877 -5.856) 8.296 5.303 ( 0.000 -3.691 3.766) 5.273 5.402 ( 0.000 -1.144 -4.359) 4.507 5.561 ( 0.000 1.592 5.101) 5.343 5.698 ( 0.000 -2.455 10.230) 10.521 5.703 ( 0.000 3.156 -0.695) 3.231 5.818 ( 0.000 6.488 -0.174) 6.490 6.164 ( 0.000 7.933 1.054) 8.003 6.327 ( 0.000 9.300 -3.668) 9.997 6.473 ( 0.000 2.576 4.642) 5.309 6.921 ( 0.000 -2.608 -5.081) 5.711 7.059 ( 0.000 -2.854 -4.645) 5.452 7.596 ( 0.000 -4.567 -7.886) 9.113 7.720 ( 0.000 5.786 12.132) 13.441 7.831 ( 0.000 7.016 -2.356) 7.401 7.933 ( 0.000 4.528 7.519) 8.777 8.119 ( 0.000 0.525 4.052) 4.086 8.743 ( 0.000 -6.829 -2.283) 7.201 8.895 ( 0.000 -4.804 -4.628) 6.670 8.912 ( 0.000 -3.938 -8.214) 9.109 8.954 ( 0.000 1.767 2.890) 3.387 9.051 ( 0.000 -4.852 -12.549) 13.454 9.146 ( 0.000 -3.516 0.591) 3.565 9.515 ( 0.000 7.441 -0.781) 7.482 9.522 ( 0.000 7.281 -0.216) 7.284 9.978 ( 0.000 -6.997 -18.369) 19.656 10.012 ( 0.000 -10.024 -14.643) 17.745 10.394 ( 0.000 2.386 -6.148) 6.595 10.853 ( 0.000 -3.520 -17.906) 18.248 10.993 ( 0.000 -4.737 -5.292) 7.102 11.127 ( 0.000 -3.819 -12.519) 13.088 11.433 ( 0.000 -7.580 -0.711) 7.613 11.564 ( 0.000 -11.200 -2.249) 11.423 11.950 ( 0.000 3.552 5.565) 6.602 12.022 ( 0.000 6.996 1.461) 7.147 12.356 ( 0.000 -0.447 7.168) 7.182 12.603 ( 0.000 10.581 11.197) 15.405 12.714 ( 0.000 -8.183 -4.401) 9.291 12.890 ( 0.000 7.547 9.692) 12.284 13.286 ( 0.000 -4.677 4.123) 6.234 13.507 ( 0.000 1.219 -6.231) 6.349 13.561 ( 0.000 -2.055 -5.217) 5.607 13.644 ( 0.000 10.762 -5.879) 12.263 14.189 ( 0.000 3.630 4.187) 5.542 14.396 ( 0.000 -0.227 1.975) 1.988 15.158 ( 0.000 0.146 1.514) 1.521 15.236 ( 0.000 -0.949 -1.827) 2.059 16.222 ( 0.000 -5.830 9.347) 11.016 16.519 ( 0.000 -26.123 6.069) 26.818 18.817 ( 0.000 10.379 4.354) 11.255 19.092 ( 0.000 29.947 -5.840) 30.511 19.199 ( 0.000 10.189 -4.169) 11.009 19.245 ( 0.000 7.371 -4.034) 8.402 20.450 ( 0.000 -2.183 3.351) 4.000 20.657 ( 0.000 -1.683 1.162) 2.045 21.082 ( 0.000 -1.005 -1.490) 1.797 21.544 ( 0.000 -3.931 -5.303) 6.601 22.362 ( 0.000 0.124 4.201) 4.203 22.475 ( 0.000 -0.680 2.676) 2.761 22.481 ( 0.000 0.029 1.579) 1.579 22.625 ( 0.000 -1.210 -3.522) 3.724 23.179 ( 0.000 -0.101 6.425) 6.426 23.251 ( 0.000 -2.741 -0.169) 2.747 23.400 ( 0.000 -1.452 4.083) 4.334 24.029 ( 0.000 -9.243 -7.953) 12.194 ======================= Grid point 141 (50/90) ======================= q-point: ( 0.20 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.936 ( 8.479 9.598 21.814) 25.296 2.005 ( 9.614 12.844 18.595) 24.559 2.563 ( -10.492 12.766 8.288) 18.486 2.705 ( -6.687 4.197 12.163) 14.500 2.876 ( 4.924 14.058 2.495) 15.103 3.082 ( 1.590 1.038 5.093) 5.436 3.161 ( -4.466 10.185 -4.754) 12.095 3.310 ( -4.194 -0.771 -1.580) 4.548 3.534 ( 1.489 1.017 8.141) 8.338 3.574 ( 5.384 6.228 -1.630) 8.393 3.741 ( 2.030 -3.352 6.362) 7.472 4.069 ( 1.374 8.605 -3.225) 9.292 4.088 ( 3.929 -2.746 2.717) 5.510 4.267 ( 1.471 0.987 5.127) 5.424 4.425 ( 5.335 8.765 -1.346) 10.349 4.706 ( -4.744 10.534 -2.821) 11.893 4.759 ( 3.234 -7.602 -5.801) 10.094 4.918 ( -0.740 -5.171 1.978) 5.586 5.152 ( -6.133 1.439 -0.427) 6.314 5.208 ( -1.088 -1.272 -0.876) 1.889 5.334 ( 1.226 1.962 -3.062) 3.838 5.404 ( -2.681 -0.671 -4.801) 5.540 5.481 ( -5.452 3.209 4.533) 7.783 5.637 ( -6.186 1.431 8.146) 10.329 5.714 ( 1.100 3.262 0.288) 3.455 5.812 ( -1.068 6.182 -0.369) 6.284 6.168 ( 1.028 7.069 -0.498) 7.161 6.318 ( -1.420 6.527 -2.692) 7.202 6.524 ( 5.825 3.417 2.996) 7.388 6.904 ( -2.481 -2.201 -2.481) 4.142 7.147 ( 8.531 -3.103 -7.486) 11.766 7.568 ( -2.984 -4.660 -7.844) 9.599 7.728 ( 0.833 5.442 10.706) 12.038 7.815 ( -1.542 6.494 -0.496) 6.693 7.952 ( 1.887 4.155 6.679) 8.089 8.101 ( -1.901 0.654 4.523) 4.949 8.770 ( 2.560 -6.310 -2.572) 7.279 8.873 ( -1.031 -3.160 -3.921) 5.140 8.931 ( 0.745 -1.809 -5.370) 5.715 8.969 ( 1.084 -2.837 -0.696) 3.116 9.058 ( 0.993 -4.647 -11.044) 12.023 9.149 ( 0.051 -4.294 -0.054) 4.295 9.521 ( 0.556 7.622 -0.801) 7.684 9.526 ( 0.372 7.515 -0.312) 7.531 9.980 ( 0.255 -7.328 -17.827) 19.276 10.011 ( -0.203 -9.732 -15.268) 18.107 10.432 ( 4.001 2.064 -6.672) 8.049 10.788 ( -5.657 -2.864 -15.636) 16.872 11.048 ( 4.460 -5.188 -6.234) 9.256 11.163 ( 4.018 -3.781 -11.806) 13.032 11.376 ( -5.410 -7.501 -1.298) 9.339 11.533 ( -3.601 -9.700 -3.473) 10.914 11.947 ( -0.224 3.291 5.547) 6.453 11.999 ( -1.877 6.058 2.727) 6.904 12.385 ( 2.885 -1.637 6.307) 7.126 12.649 ( 3.381 8.244 7.690) 11.770 12.670 ( -3.404 -4.347 -0.405) 5.536 12.884 ( -1.006 7.496 7.631) 10.744 13.345 ( 5.730 -4.186 3.071) 7.732 13.520 ( 1.621 1.403 -5.565) 5.964 13.540 ( -1.656 1.419 -4.866) 5.332 13.663 ( 1.190 5.678 -4.822) 7.544 14.186 ( -0.085 3.115 3.981) 5.056 14.356 ( -4.102 0.133 2.124) 4.621 15.144 ( -1.269 0.265 1.521) 1.999 15.199 ( -3.352 -0.649 -0.658) 3.478 16.253 ( 3.173 -7.006 9.110) 11.922 16.491 ( -2.870 -22.746 6.538) 23.841 18.829 ( 1.314 11.312 4.135) 12.115 19.034 ( -5.073 24.991 -2.664) 25.639 19.209 ( 0.880 10.524 -4.352) 11.422 19.252 ( 0.248 9.531 -4.625) 10.597 20.469 ( 2.374 -2.170 3.869) 5.031 20.687 ( 0.979 -1.983 2.889) 3.638 21.105 ( 3.763 -1.335 -5.288) 6.627 21.516 ( -3.323 -3.909 -6.676) 8.420 22.366 ( 0.417 0.231 3.913) 3.942 22.451 ( -1.924 0.055 1.424) 2.395 22.499 ( 1.314 -0.637 2.588) 2.971 22.604 ( -1.928 -1.093 -1.917) 2.930 23.169 ( 0.141 -0.418 5.714) 5.731 23.258 ( -0.361 -0.804 2.792) 2.928 23.478 ( 7.757 -3.328 0.470) 8.454 23.975 ( -5.560 -8.508 -7.256) 12.488 ======================= Grid point 142 (51/90) ======================= q-point: ( 0.40 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.127 ( 11.373 15.433 16.993) 25.618 2.239 ( 12.853 3.992 15.110) 20.234 2.360 ( -9.665 13.975 13.146) 21.484 2.521 ( -12.671 2.740 13.494) 18.712 2.968 ( 5.196 13.224 -0.145) 14.209 3.069 ( -5.452 12.908 -3.190) 14.370 3.116 ( 2.667 -1.923 -2.889) 4.377 3.197 ( -6.009 -3.204 -5.004) 8.450 3.600 ( 5.043 0.422 7.315) 8.895 3.689 ( -2.341 -0.800 2.517) 3.529 3.782 ( 10.427 8.927 5.050) 14.626 3.991 ( -9.243 11.279 1.099) 14.624 4.226 ( 9.443 -5.525 5.002) 12.030 4.328 ( 1.568 -4.044 4.402) 6.180 4.496 ( 1.905 5.759 -0.221) 6.070 4.580 ( -6.813 6.858 -0.612) 9.686 4.862 ( 6.401 -3.294 -6.762) 9.876 4.935 ( 2.079 -4.302 -0.537) 4.808 5.029 ( -4.099 -0.651 4.871) 6.399 5.125 ( -8.997 -4.140 1.805) 10.067 5.365 ( 3.869 4.678 2.123) 6.431 5.375 ( 1.863 4.806 -3.565) 6.267 5.417 ( -2.642 6.780 -3.346) 8.009 5.493 ( -8.306 5.274 4.999) 11.036 5.743 ( 1.874 4.152 0.509) 4.584 5.780 ( -2.013 5.455 0.310) 5.823 6.208 ( 3.120 5.105 -2.215) 6.380 6.272 ( -3.302 4.482 -2.321) 6.032 6.670 ( 8.849 2.057 0.518) 9.100 6.819 ( -6.572 -0.384 -0.983) 6.656 7.326 ( 9.635 -3.939 -8.866) 13.673 7.480 ( -6.589 -4.578 -8.425) 11.634 7.750 ( 1.461 5.233 7.328) 9.122 7.781 ( -1.896 5.734 3.177) 6.824 7.998 ( 2.921 2.810 6.032) 7.268 8.054 ( -2.953 1.378 5.423) 6.327 8.822 ( 2.630 -5.234 -2.622) 6.418 8.857 ( -1.070 -3.436 -1.960) 4.097 8.947 ( 1.055 -1.471 -5.665) 5.948 8.969 ( -1.005 -3.378 -6.232) 7.160 9.095 ( 2.574 -5.488 -4.759) 7.707 9.136 ( -1.572 -5.541 -1.664) 5.995 9.531 ( 0.379 7.936 -0.545) 7.964 9.532 ( 0.205 7.838 -0.612) 7.864 9.989 ( 0.675 -8.075 -16.952) 18.789 10.002 ( -0.657 -8.953 -16.200) 18.521 10.534 ( 6.672 0.915 -8.666) 10.975 10.666 ( -7.154 -0.993 -12.183) 14.163 11.138 ( 5.376 -6.154 -6.568) 10.484 11.243 ( -3.425 -6.759 -7.616) 10.744 11.291 ( 4.465 -4.879 -5.038) 8.314 11.429 ( -7.286 -6.881 -5.603) 11.482 11.948 ( 0.540 3.166 5.263) 6.166 11.967 ( -1.437 4.143 4.329) 6.162 12.458 ( 4.916 -3.479 4.327) 7.416 12.562 ( -6.006 -5.228 1.349) 8.075 12.751 ( 5.486 10.661 6.865) 13.816 12.840 ( -3.756 9.014 5.881) 11.400 13.452 ( 4.357 -3.187 -1.510) 5.606 13.506 ( -2.084 0.957 -4.300) 4.873 13.581 ( 4.908 2.128 -2.431) 5.876 13.659 ( -2.304 2.342 -2.683) 4.242 14.198 ( 1.830 1.947 3.454) 4.367 14.264 ( -4.976 0.896 2.719) 5.741 15.124 ( -0.424 0.411 1.486) 1.599 15.141 ( -2.284 0.132 0.966) 2.484 16.330 ( 4.788 -10.452 8.443) 14.264 16.420 ( -4.574 -16.087 7.503) 18.331 18.868 ( 2.905 14.137 3.287) 14.802 18.938 ( -4.672 18.842 1.206) 19.449 19.228 ( 1.129 10.592 -4.507) 11.567 19.247 ( -0.733 10.537 -4.697) 11.560 20.542 ( 5.230 -2.138 4.732) 7.370 20.644 ( -4.942 -2.110 5.141) 7.437 21.240 ( 9.591 -2.554 -9.832) 13.970 21.411 ( -7.876 -3.580 -9.234) 12.653 22.380 ( 1.197 0.397 3.089) 3.336 22.411 ( -2.075 0.356 1.918) 2.848 22.528 ( 1.800 -0.791 2.092) 2.871 22.565 ( -2.097 -0.899 0.627) 2.366 23.193 ( 2.103 -0.181 5.156) 5.571 23.234 ( -2.012 -0.089 4.420) 4.857 23.652 ( 10.129 -5.193 -3.264) 11.842 23.835 ( -9.088 -6.891 -5.611) 12.711 ======================= Grid point 145 (52/90) ======================= q-point: ( 0.00 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( 0.000 9.731 19.547) 21.835 2.342 ( 0.000 18.512 14.963) 23.803 2.796 ( 0.000 4.112 9.728) 10.561 3.051 ( 0.000 -3.411 2.686) 4.341 3.071 ( 0.000 14.293 1.293) 14.351 3.162 ( 0.000 17.051 5.287) 17.851 3.405 ( 0.000 10.873 8.240) 13.643 3.418 ( 0.000 -6.493 4.787) 8.067 3.468 ( 0.000 10.713 -3.120) 11.159 3.664 ( 0.000 2.240 -5.923) 6.332 3.780 ( 0.000 12.370 9.242) 15.441 4.022 ( 0.000 0.653 5.675) 5.713 4.039 ( 0.000 -5.013 2.661) 5.675 4.454 ( 0.000 4.269 1.067) 4.400 4.537 ( 0.000 0.346 -7.538) 7.546 4.599 ( 0.000 7.821 -4.028) 8.797 4.865 ( 0.000 -0.623 2.586) 2.660 4.974 ( 0.000 0.537 1.607) 1.694 5.107 ( 0.000 -3.687 -3.914) 5.377 5.273 ( 0.000 5.700 -2.423) 6.193 5.397 ( 0.000 -0.861 -0.434) 0.964 5.430 ( 0.000 6.780 -4.534) 8.157 5.557 ( 0.000 -1.329 7.469) 7.586 5.629 ( 0.000 -3.904 8.807) 9.634 5.746 ( 0.000 3.132 -7.896) 8.495 5.948 ( 0.000 8.797 -4.256) 9.772 6.432 ( 0.000 16.320 5.176) 17.122 6.442 ( 0.000 1.588 4.092) 4.390 6.744 ( 0.000 21.230 -3.172) 21.466 6.866 ( 0.000 -2.426 -4.573) 5.176 6.987 ( 0.000 -3.868 -5.629) 6.830 7.506 ( 0.000 -3.859 -8.477) 9.314 7.858 ( 0.000 6.974 9.808) 12.035 7.960 ( 0.000 3.901 -1.349) 4.128 8.047 ( 0.000 5.609 5.860) 8.111 8.141 ( 0.000 2.409 3.046) 3.884 8.593 ( 0.000 -7.004 -4.543) 8.348 8.783 ( 0.000 -5.135 -3.454) 6.188 8.820 ( 0.000 -6.117 -6.603) 9.000 8.892 ( 0.000 -8.666 -13.335) 15.903 8.987 ( 0.000 0.942 2.734) 2.892 9.067 ( 0.000 -4.098 -0.215) 4.104 9.514 ( 0.000 -9.744 -14.726) 17.658 9.570 ( 0.000 -7.279 -10.673) 12.918 9.931 ( 0.000 6.998 -5.622) 8.976 9.959 ( 0.000 7.551 -9.293) 11.974 10.414 ( 0.000 -0.445 -4.201) 4.224 10.751 ( 0.000 -5.746 -11.241) 12.625 10.874 ( 0.000 -5.969 -3.513) 6.926 11.016 ( 0.000 -7.163 -12.828) 14.692 11.247 ( 0.000 -9.755 -0.872) 9.794 11.320 ( 0.000 -11.866 0.168) 11.867 12.035 ( 0.000 4.434 4.149) 6.073 12.150 ( 0.000 5.240 0.225) 5.244 12.357 ( 0.000 0.085 4.922) 4.923 12.543 ( 0.000 -7.920 -2.044) 8.180 12.823 ( 0.000 10.252 8.346) 13.220 13.130 ( 0.000 14.595 8.440) 16.860 13.202 ( 0.000 -2.819 1.642) 3.262 13.470 ( 0.000 -3.417 -0.349) 3.435 13.509 ( 0.000 -2.354 -3.517) 4.232 13.918 ( 0.000 13.077 -7.876) 15.266 14.233 ( 0.000 -0.323 4.608) 4.620 14.389 ( 0.000 -0.518 2.972) 3.017 15.190 ( 0.000 3.457 1.405) 3.732 15.214 ( 0.000 -0.954 -0.936) 1.336 15.990 ( 0.000 -23.058 12.347) 26.156 16.060 ( 0.000 -9.548 6.999) 11.838 19.094 ( 0.000 15.605 4.201) 16.161 19.448 ( 0.000 12.338 -2.532) 12.595 19.465 ( 0.000 13.592 -2.735) 13.864 19.717 ( 0.000 27.892 -14.873) 31.610 20.385 ( 0.000 -3.981 3.046) 5.013 20.617 ( 0.000 -1.769 -0.799) 1.941 21.046 ( 0.000 -2.576 -3.156) 4.074 21.419 ( 0.000 -8.207 -5.849) 10.078 22.367 ( 0.000 0.384 4.217) 4.234 22.455 ( 0.000 -1.228 2.983) 3.226 22.483 ( 0.000 0.243 1.500) 1.519 22.590 ( 0.000 -2.013 -2.707) 3.374 23.175 ( 0.000 -0.377 5.729) 5.741 23.187 ( 0.000 -2.989 2.754) 4.064 23.368 ( 0.000 -1.309 3.943) 4.154 23.803 ( 0.000 -11.529 -3.208) 11.967 ======================= Grid point 146 (53/90) ======================= q-point: ( 0.20 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.084 ( 9.279 8.562 17.570) 21.636 2.385 ( 4.455 17.664 13.848) 22.883 2.744 ( -5.341 6.076 8.469) 11.712 2.922 ( -10.565 12.272 8.028) 18.074 3.035 ( -2.814 -3.415 -1.074) 4.553 3.230 ( 4.561 16.040 2.434) 16.853 3.310 ( -7.091 3.608 -2.443) 8.322 3.450 ( -0.776 8.766 4.588) 9.924 3.509 ( 1.679 3.123 3.319) 4.857 3.709 ( 9.735 3.720 -0.404) 10.430 3.797 ( -1.609 8.701 9.369) 12.887 3.982 ( 1.927 -4.368 3.978) 6.214 4.152 ( 6.549 0.499 3.824) 7.600 4.430 ( -3.048 8.216 0.057) 8.763 4.516 ( -0.326 -0.073 -6.097) 6.107 4.661 ( 2.793 0.528 -6.024) 6.661 4.838 ( -3.833 -2.165 3.006) 5.330 4.899 ( -1.662 3.948 2.643) 5.033 5.113 ( -1.661 -3.005 -3.090) 4.619 5.291 ( -4.702 9.022 3.341) 10.708 5.377 ( 3.531 1.634 -6.347) 7.445 5.425 ( -0.403 1.654 5.770) 6.016 5.554 ( 2.060 4.257 0.897) 4.813 5.645 ( -0.928 -0.921 6.623) 6.751 5.759 ( 1.436 2.800 -6.508) 7.229 5.918 ( -2.747 6.805 -5.454) 9.144 6.413 ( -1.684 13.935 4.679) 14.796 6.422 ( -1.794 2.606 3.733) 4.893 6.757 ( 1.571 18.549 -2.961) 18.849 6.866 ( -0.236 -0.919 -3.381) 3.511 7.070 ( 7.818 -3.901 -7.396) 11.447 7.478 ( -3.152 -3.891 -8.471) 9.840 7.855 ( -0.159 6.233 9.365) 11.251 7.930 ( -2.467 3.452 1.400) 4.468 8.063 ( 1.247 5.721 3.645) 6.897 8.132 ( -0.873 3.197 2.853) 4.373 8.621 ( 2.618 -7.415 -6.114) 9.961 8.764 ( -1.729 -7.225 -5.242) 9.092 8.847 ( 2.511 -3.512 -5.340) 6.867 8.910 ( 1.930 -8.404 -9.770) 13.031 8.978 ( -1.044 0.631 2.204) 2.519 9.056 ( -1.154 -4.662 -0.551) 4.834 9.520 ( 0.608 -10.089 -14.541) 17.709 9.567 ( -0.399 -8.002 -11.153) 13.732 9.935 ( 0.452 7.216 -5.860) 9.307 9.957 ( -0.189 7.703 -8.662) 11.593 10.447 ( 3.491 -0.586 -4.690) 5.876 10.708 ( -3.686 -4.499 -10.126) 11.678 10.915 ( 3.309 -6.807 -4.543) 8.828 11.045 ( 3.076 -7.743 -11.727) 14.385 11.192 ( -4.948 -9.598 -0.362) 10.805 11.307 ( -1.914 -11.623 -1.580) 11.885 12.028 ( -0.469 4.360 4.153) 6.040 12.120 ( -2.814 5.343 1.166) 6.150 12.367 ( 1.159 -0.646 4.181) 4.386 12.519 ( -2.508 -6.967 -1.637) 7.584 12.873 ( 4.743 10.191 7.248) 13.375 13.109 ( -2.080 12.754 7.704) 15.045 13.271 ( 6.561 -1.862 0.658) 6.852 13.492 ( 3.165 -1.314 0.426) 3.453 13.534 ( 1.678 -2.564 -3.115) 4.370 13.865 ( -5.484 11.065 -6.481) 13.947 14.218 ( -1.138 -1.086 4.900) 5.147 14.356 ( -3.523 -0.320 2.750) 4.481 15.168 ( -1.571 1.535 1.320) 2.562 15.205 ( -1.169 2.575 0.187) 2.834 16.015 ( 2.275 -21.095 10.935) 23.869 16.067 ( 0.653 -10.900 7.161) 13.058 19.121 ( 2.854 15.976 3.706) 16.647 19.412 ( -3.899 13.461 -2.207) 14.187 19.480 ( 1.591 14.303 -2.981) 14.697 19.668 ( -4.458 25.576 -11.371) 28.343 20.407 ( 2.705 -3.466 3.152) 5.409 20.639 ( 0.553 -2.068 0.549) 2.210 21.056 ( 2.254 -3.583 -6.008) 7.349 21.392 ( -3.195 -8.202 -7.061) 11.284 22.373 ( 0.683 0.543 3.884) 3.981 22.451 ( -0.933 -0.118 1.891) 2.112 22.483 ( 0.554 -0.722 2.417) 2.583 22.573 ( -1.597 -1.780 -1.229) 2.689 23.158 ( 0.638 -0.596 5.177) 5.250 23.242 ( 2.005 -0.670 3.318) 3.934 23.398 ( 4.073 -3.858 2.456) 6.124 23.765 ( -4.032 -10.870 -2.992) 11.974 ======================= Grid point 147 (54/90) ======================= q-point: ( 0.40 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.324 ( 15.540 6.778 13.207) 21.491 2.500 ( 7.422 16.346 11.341) 21.234 2.601 ( -10.821 6.646 8.985) 15.556 2.683 ( -12.915 13.464 10.911) 21.613 3.037 ( 3.391 -4.448 -2.973) 6.334 3.153 ( -8.374 -1.462 -3.841) 9.328 3.309 ( 3.844 15.923 0.552) 16.389 3.381 ( -4.063 14.916 -0.671) 15.474 3.596 ( 5.690 -0.379 9.105) 10.744 3.705 ( -5.944 1.524 7.015) 9.320 3.949 ( 12.582 4.611 2.065) 13.558 4.058 ( 2.402 -1.963 4.056) 5.106 4.244 ( 3.175 3.111 3.799) 5.847 4.329 ( -6.832 8.843 -1.261) 11.246 4.536 ( 2.361 -2.077 -2.365) 3.935 4.612 ( -5.547 -2.749 -2.537) 6.691 4.845 ( 4.129 -2.151 1.335) 4.843 4.907 ( -0.365 -0.094 -0.418) 0.563 5.069 ( -0.859 4.663 1.217) 4.895 5.142 ( -7.768 7.380 6.438) 12.500 5.451 ( 5.391 3.506 1.265) 6.554 5.507 ( 4.960 7.185 -0.459) 8.743 5.555 ( -2.964 6.521 -0.816) 7.209 5.589 ( -3.885 4.083 4.475) 7.196 5.803 ( 3.131 2.655 -5.645) 6.980 5.862 ( -3.108 3.756 -6.140) 7.840 6.387 ( -0.811 9.148 3.621) 9.872 6.391 ( -1.213 5.164 3.289) 6.242 6.800 ( 2.775 11.626 -2.946) 12.310 6.847 ( -1.893 4.169 -2.872) 5.405 7.236 ( 9.125 -4.258 -8.626) 13.260 7.386 ( -6.672 -4.127 -8.649) 11.677 7.859 ( 0.788 4.706 7.774) 9.122 7.886 ( -2.056 3.557 4.910) 6.402 8.087 ( 1.324 5.472 2.201) 6.045 8.111 ( -1.263 4.583 2.352) 5.304 8.675 ( 2.868 -8.227 -8.180) 11.951 8.724 ( -2.436 -8.481 -7.621) 11.659 8.899 ( 2.818 -1.644 -2.724) 4.250 8.947 ( -2.113 -0.518 0.445) 2.220 8.962 ( 3.276 -7.079 -4.408) 8.959 9.021 ( -2.643 -5.486 -1.378) 6.243 9.536 ( 1.001 -10.366 -13.745) 17.245 9.554 ( -0.913 -9.502 -12.383) 15.635 9.945 ( 0.507 7.642 -6.460) 10.019 9.953 ( -0.312 7.844 -7.429) 10.809 10.533 ( 5.298 -1.037 -6.316) 8.309 10.629 ( -4.755 -2.392 -8.640) 10.148 10.981 ( 3.937 -8.276 -4.526) 10.222 11.065 ( -4.302 -9.718 -4.259) 11.450 11.150 ( 4.096 -8.632 -5.876) 11.217 11.243 ( -4.698 -10.589 -4.329) 12.367 12.030 ( 0.957 4.563 3.814) 6.024 12.065 ( -2.664 5.105 2.737) 6.375 12.402 ( 2.604 -2.479 2.234) 4.233 12.460 ( -3.433 -4.811 -0.041) 5.910 12.970 ( 5.111 10.147 5.992) 12.845 13.054 ( -3.800 10.821 6.294) 13.083 13.412 ( 7.806 -0.447 -1.190) 7.909 13.523 ( -2.997 -0.101 -1.939) 3.571 13.599 ( 6.893 0.463 -0.045) 6.909 13.736 ( -7.558 5.589 -2.709) 9.783 14.213 ( 1.210 -1.394 4.449) 4.817 14.272 ( -4.729 -0.815 3.361) 5.858 15.155 ( 0.329 2.865 1.462) 3.233 15.176 ( -1.647 4.011 1.022) 4.455 16.056 ( 1.779 -17.288 8.844) 19.500 16.074 ( -0.154 -13.870 7.675) 15.853 19.198 ( 5.381 16.609 2.121) 17.587 19.311 ( -6.330 15.990 -0.379) 17.202 19.522 ( 2.837 16.344 -4.046) 17.075 19.585 ( -3.974 20.287 -6.496) 21.669 20.486 ( 5.534 -2.700 3.226) 6.952 20.593 ( -5.089 -2.251 2.930) 6.289 21.154 ( 7.537 -5.989 -9.656) 13.635 21.296 ( -6.888 -7.700 -9.182) 13.822 22.392 ( 1.352 0.810 3.018) 3.405 22.422 ( -1.787 0.764 1.959) 2.760 22.506 ( 1.658 -1.337 2.341) 3.165 22.540 ( -1.892 -1.480 1.026) 2.612 23.192 ( 2.591 0.223 4.766) 5.429 23.238 ( -1.904 0.604 4.173) 4.626 23.518 ( 7.824 -7.217 -0.565) 10.659 23.660 ( -6.974 -9.269 -2.239) 11.814 ======================= Grid point 150 (55/90) ======================= q-point: ( 0.00 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.230 ( 0.000 12.480 14.494) 19.127 2.612 ( 0.000 4.856 10.579) 11.640 2.824 ( 0.000 0.073 10.117) 10.117 3.054 ( 0.000 6.448 2.012) 6.755 3.156 ( 0.000 -6.369 7.648) 9.953 3.322 ( 0.000 -2.384 -4.066) 4.713 3.445 ( 0.000 10.098 1.634) 10.230 3.628 ( 0.000 3.050 5.786) 6.541 3.651 ( 0.000 9.641 5.298) 11.001 3.735 ( 0.000 1.800 -5.144) 5.450 4.017 ( 0.000 1.724 2.451) 2.997 4.056 ( 0.000 10.218 0.591) 10.235 4.103 ( 0.000 16.817 10.377) 19.761 4.263 ( 0.000 -10.580 2.402) 10.850 4.638 ( 0.000 -6.613 -6.669) 9.392 4.792 ( 0.000 -0.951 -6.358) 6.429 4.851 ( 0.000 3.242 1.005) 3.395 4.885 ( 0.000 5.420 4.910) 7.313 5.083 ( 0.000 1.197 -3.756) 3.942 5.297 ( 0.000 -5.769 -4.536) 7.339 5.356 ( 0.000 -3.000 7.900) 8.450 5.465 ( 0.000 -4.368 1.120) 4.509 5.562 ( 0.000 0.933 5.028) 5.114 5.571 ( 0.000 -0.775 5.389) 5.445 5.963 ( 0.000 17.227 -7.520) 18.797 6.257 ( 0.000 18.394 -4.745) 18.996 6.455 ( 0.000 -0.069 2.913) 2.913 6.712 ( 0.000 6.716 5.827) 8.891 6.838 ( 0.000 0.904 -3.852) 3.957 6.900 ( 0.000 -3.403 -6.527) 7.361 7.170 ( 0.000 17.090 -3.613) 17.468 7.446 ( 0.000 -1.968 -9.128) 9.338 7.965 ( 0.000 -1.685 1.482) 2.244 8.003 ( 0.000 7.481 4.939) 8.964 8.086 ( 0.000 -3.221 6.678) 7.414 8.228 ( 0.000 4.168 2.281) 4.751 8.508 ( 0.000 -0.948 -3.029) 3.174 8.598 ( 0.000 -11.988 -6.652) 13.710 8.714 ( 0.000 -0.120 -8.796) 8.797 8.814 ( 0.000 -0.263 -11.750) 11.753 8.970 ( 0.000 -5.582 -4.768) 7.341 8.981 ( 0.000 -2.334 -1.157) 2.605 9.270 ( 0.000 -10.217 -15.189) 18.306 9.346 ( 0.000 -11.015 -11.141) 15.667 10.158 ( 0.000 9.352 -6.554) 11.420 10.185 ( 0.000 14.527 -5.323) 15.471 10.381 ( 0.000 -2.325 -2.518) 3.427 10.645 ( 0.000 -4.296 -7.233) 8.413 10.776 ( 0.000 -3.415 -2.391) 4.169 10.834 ( 0.000 -9.893 -9.833) 13.949 11.060 ( 0.000 -7.418 -1.429) 7.554 11.103 ( 0.000 -8.540 0.581) 8.560 12.127 ( 0.000 4.544 2.852) 5.365 12.230 ( 0.000 2.219 0.080) 2.221 12.350 ( 0.000 -0.716 2.543) 2.642 12.399 ( 0.000 -5.748 -0.064) 5.749 13.028 ( 0.000 9.663 5.799) 11.269 13.185 ( 0.000 1.101 -0.313) 1.145 13.325 ( 0.000 -0.024 -1.212) 1.213 13.377 ( 0.000 -5.546 2.125) 5.939 13.583 ( 0.000 13.001 6.517) 14.543 14.085 ( 0.000 -2.461 3.047) 3.917 14.210 ( 0.000 3.464 -2.463) 4.251 14.371 ( 0.000 -1.450 2.350) 2.761 15.210 ( 0.000 0.908 1.759) 1.980 15.286 ( 0.000 4.083 3.613) 5.452 15.627 ( 0.000 -10.501 9.356) 14.064 15.845 ( 0.000 -10.911 4.387) 11.760 19.417 ( 0.000 14.744 4.163) 15.320 19.681 ( 0.000 6.162 0.122) 6.163 19.723 ( 0.000 12.923 -0.594) 12.937 20.106 ( 0.000 3.528 -8.784) 9.466 20.367 ( 0.000 8.150 -4.681) 9.399 20.611 ( 0.000 1.414 -5.271) 5.457 20.980 ( 0.000 -3.266 -5.217) 6.155 21.213 ( 0.000 -11.376 -6.238) 12.974 22.379 ( 0.000 0.787 4.098) 4.173 22.427 ( 0.000 -1.430 3.393) 3.682 22.492 ( 0.000 0.695 1.130) 1.326 22.548 ( 0.000 -1.986 -1.173) 2.306 23.142 ( 0.000 -1.177 4.547) 4.697 23.160 ( 0.000 -1.087 5.123) 5.237 23.366 ( 0.000 1.491 3.436) 3.746 23.586 ( 0.000 -9.137 0.077) 9.138 ======================= Grid point 151 (56/90) ======================= q-point: ( 0.20 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.293 ( 6.939 11.306 12.355) 18.128 2.652 ( 4.542 5.018 8.473) 10.844 2.815 ( -0.898 1.464 8.181) 8.359 3.001 ( -3.947 5.489 3.269) 7.510 3.128 ( -8.972 4.794 2.747) 10.537 3.237 ( -3.484 -6.112 4.108) 8.147 3.418 ( -3.568 1.264 0.245) 3.793 3.577 ( -8.191 -3.767 -0.347) 9.023 3.669 ( 4.160 11.330 5.259) 13.165 3.805 ( 7.664 6.314 0.014) 9.930 3.917 ( -3.318 5.633 6.944) 9.537 4.112 ( 2.762 14.436 5.891) 15.835 4.199 ( 6.444 5.522 0.956) 8.540 4.296 ( 2.977 -9.410 2.821) 10.265 4.605 ( -3.378 -6.733 -5.800) 9.507 4.697 ( -7.207 -0.546 -5.053) 8.818 4.858 ( 0.820 5.170 0.619) 5.272 4.904 ( 0.481 5.199 4.346) 6.793 5.110 ( 1.846 0.577 -2.754) 3.365 5.328 ( -1.427 -4.421 -0.656) 4.691 5.392 ( 0.138 -0.736 6.413) 6.456 5.444 ( 7.667 -1.555 2.051) 8.087 5.601 ( 3.184 -0.277 4.552) 5.562 5.620 ( 2.770 -0.997 3.581) 4.636 5.962 ( 0.119 16.555 -7.486) 18.169 6.196 ( -6.149 18.218 -5.433) 19.980 6.424 ( -2.048 -2.067 2.554) 3.872 6.622 ( -7.204 2.715 3.774) 8.574 6.895 ( 5.052 3.748 -3.334) 7.119 7.004 ( 8.468 -0.985 -5.809) 10.316 7.147 ( -2.383 15.673 -3.623) 16.262 7.419 ( -3.103 -1.871 -9.032) 9.731 7.943 ( -1.495 -0.234 3.464) 3.781 7.985 ( -1.721 6.483 4.902) 8.308 8.109 ( 1.965 -3.121 4.842) 6.087 8.223 ( -0.771 3.121 1.907) 3.738 8.515 ( 1.185 -2.584 -4.896) 5.661 8.615 ( 0.410 -4.925 -9.948) 11.108 8.738 ( 2.998 -4.341 -4.778) 7.118 8.831 ( 1.874 0.147 -9.807) 9.986 8.946 ( -2.503 -5.464 -4.605) 7.572 8.984 ( 0.094 -1.355 -0.274) 1.385 9.259 ( -0.987 -11.838 -15.847) 19.805 9.327 ( -1.957 -11.932 -11.829) 16.915 10.166 ( 0.783 10.269 -6.498) 12.177 10.189 ( 0.338 14.438 -5.502) 15.454 10.412 ( 3.295 -2.612 -3.139) 5.246 10.625 ( -1.882 -3.492 -6.929) 7.984 10.798 ( 1.715 -4.402 -3.369) 5.802 10.853 ( 2.053 -10.025 -7.938) 12.951 11.013 ( -4.300 -6.885 -0.460) 8.131 11.082 ( -2.446 -9.522 -0.733) 9.859 12.121 ( -0.298 4.662 2.719) 5.405 12.213 ( -1.722 3.428 0.386) 3.855 12.341 ( -0.667 -2.159 1.827) 2.906 12.392 ( -0.969 -4.942 -0.095) 5.037 13.077 ( 4.552 9.528 5.127) 11.738 13.230 ( 3.219 1.553 -0.119) 3.576 13.314 ( 1.007 0.531 0.085) 1.142 13.427 ( 3.673 -5.653 0.778) 6.786 13.601 ( 2.389 11.965 6.136) 13.658 14.055 ( -4.953 4.459 -0.880) 6.722 14.137 ( -4.568 -3.849 3.854) 7.108 14.327 ( -4.956 -2.902 2.163) 6.137 15.212 ( 1.277 3.618 2.827) 4.766 15.316 ( 1.420 6.585 1.734) 6.956 15.654 ( 2.948 -12.866 8.855) 15.894 15.834 ( -1.295 -11.609 4.645) 12.571 19.446 ( 3.037 14.724 3.672) 15.476 19.687 ( -1.851 12.094 -1.372) 12.311 19.718 ( 1.933 7.440 0.989) 7.750 20.041 ( -6.209 5.555 -7.103) 10.949 20.401 ( 3.611 7.012 -3.580) 8.662 20.637 ( 1.307 2.408 -4.670) 5.414 20.957 ( -1.199 -5.564 -6.544) 8.673 21.183 ( -3.325 -11.744 -7.164) 14.152 22.388 ( 0.990 0.932 3.753) 3.992 22.438 ( 0.972 -1.162 3.072) 3.425 22.481 ( -1.034 0.578 1.405) 1.837 22.535 ( -1.229 -1.819 -0.155) 2.201 23.153 ( 2.030 0.327 4.836) 5.255 23.220 ( 4.682 -1.896 3.586) 6.194 23.354 ( -0.959 0.377 3.323) 3.480 23.558 ( -2.957 -8.766 0.145) 9.252 ======================= Grid point 152 (57/90) ======================= q-point: ( 0.40 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.490 ( 13.808 9.162 7.869) 18.345 2.746 ( -8.578 8.041 6.601) 13.484 2.784 ( 6.956 6.932 3.105) 10.300 2.904 ( -7.434 6.049 2.731) 9.966 2.959 ( -0.058 2.875 6.458) 7.069 3.098 ( -11.826 -3.433 0.292) 12.318 3.394 ( 1.935 -8.055 4.787) 9.568 3.456 ( -4.544 -9.378 2.020) 10.615 3.752 ( 4.180 14.049 5.764) 15.750 3.817 ( -2.905 12.195 5.897) 13.854 4.030 ( 9.615 3.292 4.472) 11.104 4.140 ( -1.345 7.517 4.205) 8.718 4.300 ( 4.485 1.413 -1.128) 4.836 4.341 ( 0.870 -4.932 2.416) 5.561 4.536 ( -2.643 -4.322 -4.691) 6.904 4.567 ( -5.753 -0.660 -5.391) 7.912 4.881 ( 1.557 6.500 0.868) 6.740 4.904 ( -0.511 5.029 3.255) 6.012 5.143 ( 2.481 -0.403 1.369) 2.862 5.222 ( -5.880 -1.159 4.639) 7.579 5.507 ( 7.740 2.124 3.714) 8.844 5.585 ( 5.662 -0.229 2.215) 6.084 5.615 ( -2.071 0.489 5.387) 5.792 5.653 ( -0.249 0.042 2.561) 2.573 5.984 ( 2.640 15.050 -7.603) 17.067 6.068 ( -6.363 15.855 -7.168) 18.527 6.414 ( 1.565 -2.362 2.008) 3.473 6.490 ( -6.234 -0.610 2.553) 6.764 6.994 ( 5.149 8.202 -2.970) 10.129 7.080 ( -3.824 12.614 -3.038) 13.526 7.178 ( 8.763 -1.156 -7.597) 11.656 7.327 ( -6.734 -1.675 -8.603) 11.052 7.930 ( 0.276 2.258 4.938) 5.437 7.950 ( -1.700 4.647 5.215) 7.189 8.150 ( 2.434 -2.065 2.829) 4.266 8.195 ( -2.145 0.265 1.855) 2.848 8.552 ( 2.515 -1.298 -8.457) 8.918 8.597 ( -1.991 -0.308 -11.318) 11.496 8.810 ( 3.989 -7.213 -3.409) 8.920 8.875 ( -1.195 -4.420 -5.068) 6.830 8.900 ( 1.790 -0.669 -3.260) 3.779 8.965 ( -2.563 0.710 0.188) 2.666 9.250 ( 0.588 -14.489 -16.135) 21.693 9.282 ( -2.470 -13.863 -13.850) 19.750 10.182 ( 0.805 12.117 -6.238) 13.652 10.192 ( -0.173 13.688 -5.819) 14.874 10.494 ( 5.008 -2.861 -5.009) 7.639 10.577 ( -3.470 -2.907 -6.742) 8.121 10.832 ( 2.173 -5.566 -2.945) 6.661 10.878 ( -1.489 -7.482 -2.179) 7.934 10.957 ( 0.898 -9.115 -3.016) 9.643 11.018 ( -4.018 -10.501 -2.409) 11.499 12.131 ( 1.474 5.108 2.105) 5.718 12.171 ( -2.538 5.054 1.193) 5.780 12.339 ( 0.700 -3.923 0.632) 4.035 12.364 ( -1.712 -4.368 0.015) 4.692 13.166 ( 4.465 8.875 3.892) 10.670 13.232 ( -2.333 6.224 2.439) 7.080 13.399 ( 5.934 -1.940 -1.006) 6.324 13.466 ( -0.504 -5.030 -0.862) 5.128 13.696 ( 8.081 9.462 4.670) 13.291 13.883 ( -11.082 8.339 0.738) 13.889 14.123 ( 2.166 -7.304 5.493) 9.392 14.209 ( -6.530 -5.398 3.696) 9.243 15.258 ( 3.207 7.308 2.382) 8.328 15.310 ( -1.912 8.772 1.552) 9.111 15.726 ( 4.205 -14.443 7.080) 16.625 15.794 ( -2.967 -13.235 5.494) 14.634 19.523 ( 4.974 14.476 2.278) 15.475 19.617 ( -4.806 13.874 0.421) 14.689 19.792 ( 5.396 6.939 -0.837) 8.830 19.910 ( -7.107 7.240 -3.622) 10.772 20.494 ( 6.037 5.945 -2.519) 8.840 20.604 ( -4.847 5.031 -2.451) 7.403 20.988 ( 4.604 -10.233 -9.168) 14.490 21.094 ( -5.883 -11.869 -8.731) 15.865 22.413 ( 1.577 1.202 2.905) 3.517 22.442 ( -1.199 1.079 2.019) 2.585 22.476 ( 1.234 -1.440 2.515) 3.149 22.507 ( -1.728 -1.653 1.486) 2.815 23.209 ( 3.568 1.609 4.160) 5.712 23.265 ( -1.471 2.068 3.466) 4.296 23.378 ( 4.778 -5.894 1.814) 7.801 23.480 ( -5.250 -7.783 0.552) 9.404 ======================= Grid point 155 (58/90) ======================= q-point: ( 0.00 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.486 ( 0.000 -11.641 10.127) 15.430 2.486 ( 0.000 11.641 10.127) 15.430 2.967 ( 0.000 -10.097 11.051) 14.969 2.967 ( 0.000 10.097 11.051) 14.969 3.221 ( 0.000 -7.706 -2.948) 8.251 3.221 ( 0.000 7.706 -2.948) 8.251 3.588 ( 0.000 -4.458 5.652) 7.198 3.588 ( 0.000 4.458 5.652) 7.198 3.760 ( 0.000 -1.028 -0.970) 1.413 3.760 ( 0.000 1.028 -0.970) 1.413 4.069 ( 0.000 -5.786 4.278) 7.195 4.069 ( 0.000 5.786 4.278) 7.195 4.368 ( 0.000 -13.641 -3.618) 14.113 4.368 ( 0.000 13.641 -3.618) 14.113 4.505 ( 0.000 -16.004 3.151) 16.311 4.505 ( 0.000 16.004 3.151) 16.311 5.012 ( 0.000 -0.185 0.621) 0.648 5.012 ( 0.000 0.185 0.621) 0.648 5.138 ( 0.000 -6.222 -5.086) 8.037 5.138 ( 0.000 6.222 -5.086) 8.037 5.349 ( 0.000 -3.873 6.078) 7.207 5.349 ( 0.000 3.873 6.078) 7.207 5.568 ( 0.000 -0.031 3.574) 3.574 5.568 ( 0.000 0.031 3.574) 3.574 6.289 ( 0.000 -11.560 -2.997) 11.942 6.289 ( 0.000 11.560 -2.997) 11.942 6.650 ( 0.000 -11.098 2.012) 11.279 6.650 ( 0.000 11.098 2.012) 11.279 6.864 ( 0.000 -0.115 -5.335) 5.336 6.864 ( 0.000 0.115 -5.335) 5.336 7.395 ( 0.000 -4.888 -6.002) 7.741 7.395 ( 0.000 4.888 -6.002) 7.741 7.978 ( 0.000 -4.038 5.036) 6.455 7.978 ( 0.000 4.038 5.036) 6.455 8.185 ( 0.000 -8.721 -0.428) 8.731 8.185 ( 0.000 8.721 -0.428) 8.731 8.480 ( 0.000 -1.144 0.767) 1.378 8.480 ( 0.000 1.144 0.767) 1.378 8.811 ( 0.000 -6.837 -11.701) 13.552 8.811 ( 0.000 6.837 -11.701) 13.552 8.883 ( 0.000 -4.275 -12.484) 13.196 8.883 ( 0.000 4.275 -12.484) 13.196 9.195 ( 0.000 -2.698 -6.323) 6.875 9.195 ( 0.000 2.698 -6.323) 6.875 10.300 ( 0.000 -4.289 -4.168) 5.981 10.300 ( 0.000 4.289 -4.168) 5.981 10.492 ( 0.000 -12.372 -8.173) 14.827 10.492 ( 0.000 12.372 -8.173) 14.827 10.722 ( 0.000 -0.943 -3.213) 3.349 10.722 ( 0.000 0.943 -3.213) 3.349 10.993 ( 0.000 -1.498 -0.507) 1.582 10.993 ( 0.000 1.498 -0.507) 1.582 12.216 ( 0.000 -3.561 1.300) 3.790 12.216 ( 0.000 3.561 1.300) 3.790 12.337 ( 0.000 -0.103 1.142) 1.147 12.337 ( 0.000 0.103 1.142) 1.147 13.197 ( 0.000 -4.450 2.022) 4.888 13.197 ( 0.000 4.450 2.022) 4.888 13.279 ( 0.000 -0.108 -0.184) 0.214 13.279 ( 0.000 0.108 -0.184) 0.214 13.884 ( 0.000 -13.700 7.576) 15.655 13.884 ( 0.000 13.700 7.576) 15.655 14.317 ( 0.000 -4.123 -1.184) 4.290 14.317 ( 0.000 4.123 -1.184) 4.290 15.264 ( 0.000 -4.135 6.194) 7.448 15.264 ( 0.000 4.135 6.194) 7.448 15.635 ( 0.000 -8.427 2.945) 8.927 15.635 ( 0.000 8.427 2.945) 8.927 19.658 ( 0.000 -7.593 3.657) 8.428 19.658 ( 0.000 7.593 3.657) 8.428 19.976 ( 0.000 -10.868 -1.154) 10.929 19.976 ( 0.000 10.868 -1.154) 10.929 20.587 ( 0.000 -7.035 -10.099) 12.308 20.587 ( 0.000 7.035 -10.099) 12.308 20.999 ( 0.000 -7.212 -5.990) 9.375 20.999 ( 0.000 7.212 -5.990) 9.375 22.400 ( 0.000 -1.211 3.804) 3.992 22.400 ( 0.000 1.211 3.804) 3.992 22.513 ( 0.000 -1.356 0.262) 1.381 22.513 ( 0.000 1.356 0.262) 1.381 23.139 ( 0.000 -0.669 4.965) 5.009 23.139 ( 0.000 0.669 4.965) 5.009 23.436 ( 0.000 -5.389 2.161) 5.806 23.436 ( 0.000 5.389 2.161) 5.806 ======================= Grid point 157 (59/90) ======================= q-point: ( 0.20 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.528 ( 4.968 -10.917 7.577) 14.188 2.528 ( 4.968 10.917 7.577) 14.188 2.976 ( 0.316 -9.593 8.914) 13.099 2.976 ( 0.316 9.593 8.914) 13.099 3.189 ( -3.043 -4.730 -0.437) 5.641 3.189 ( -3.043 4.730 -0.437) 5.641 3.443 ( -13.232 -5.038 3.598) 14.608 3.443 ( -13.232 5.038 3.598) 14.608 3.838 ( 7.254 -4.324 1.827) 8.640 3.838 ( 7.254 4.324 1.827) 8.640 4.077 ( 0.687 -9.679 5.476) 11.141 4.077 ( 0.687 9.679 5.476) 11.141 4.371 ( 0.306 -10.103 -3.347) 10.647 4.371 ( 0.306 10.103 -3.347) 10.647 4.497 ( -1.290 -12.616 0.909) 12.715 4.497 ( -1.290 12.616 0.909) 12.715 4.991 ( -0.012 -4.951 1.381) 5.140 4.991 ( -0.012 4.951 1.381) 5.140 5.177 ( -0.521 -8.898 -2.151) 9.169 5.177 ( -0.521 8.898 -2.151) 9.169 5.395 ( 6.711 -1.777 3.970) 7.997 5.395 ( 6.711 1.777 3.970) 7.997 5.600 ( 2.801 -0.547 4.178) 5.060 5.600 ( 2.801 0.547 4.178) 5.060 6.277 ( -0.977 -11.471 -2.791) 11.846 6.277 ( -0.977 11.471 -2.791) 11.846 6.533 ( -9.219 -10.594 -0.040) 14.043 6.533 ( -9.219 10.594 -0.040) 14.043 6.971 ( 8.337 -3.230 -4.366) 9.950 6.971 ( 8.337 3.230 -4.366) 9.950 7.364 ( -3.430 -5.298 -5.669) 8.484 7.364 ( -3.430 5.298 -5.669) 8.484 7.988 ( 1.154 -5.381 4.445) 7.075 7.988 ( 1.154 5.381 4.445) 7.075 8.149 ( -3.198 -8.502 0.424) 9.093 8.149 ( -3.198 8.502 0.424) 9.093 8.534 ( 5.047 -4.421 -0.899) 6.769 8.534 ( 5.047 4.421 -0.899) 6.769 8.793 ( -2.077 -7.359 -10.474) 12.968 8.793 ( -2.077 7.359 -10.474) 12.968 8.903 ( 2.307 -5.297 -12.189) 13.489 8.903 ( 2.307 5.297 -12.189) 13.489 9.159 ( -3.650 -2.916 -6.550) 8.046 9.159 ( -3.650 2.916 -6.550) 8.046 10.328 ( 2.834 -5.100 -4.853) 7.589 10.328 ( 2.834 5.100 -4.853) 7.589 10.485 ( -0.898 -11.859 -8.163) 14.425 10.485 ( -0.898 11.859 -8.163) 14.425 10.737 ( 1.592 -1.208 -2.606) 3.284 10.737 ( 1.592 1.208 -2.606) 3.284 10.954 ( -3.888 -1.959 -0.295) 4.364 10.954 ( -3.888 1.959 -0.295) 4.364 12.214 ( 0.126 -3.794 1.147) 3.966 12.214 ( 0.126 3.794 1.147) 3.966 12.324 ( -1.596 -1.947 0.738) 2.623 12.324 ( -1.596 1.947 0.738) 2.623 13.244 ( 4.513 -5.102 1.678) 7.015 13.244 ( 4.513 5.102 1.678) 7.015 13.303 ( 2.220 -4.459 0.027) 4.981 13.303 ( 2.220 4.459 0.027) 4.981 13.885 ( 0.472 -13.244 7.262) 15.112 13.885 ( 0.472 13.244 7.262) 15.112 14.234 ( -8.040 -5.949 0.269) 10.005 14.234 ( -8.040 5.949 0.269) 10.005 15.323 ( 5.596 -6.229 5.354) 9.939 15.323 ( 5.596 6.229 5.354) 9.939 15.612 ( -2.386 -8.531 3.048) 9.367 15.612 ( -2.386 8.531 3.048) 9.367 19.687 ( 3.076 -7.668 3.279) 8.889 19.687 ( 3.076 7.668 3.279) 8.889 19.944 ( -3.270 -10.263 -0.675) 10.792 19.944 ( -3.270 10.263 -0.675) 10.792 20.620 ( 3.529 -8.439 -9.575) 13.242 20.620 ( 3.529 8.439 -9.575) 13.242 20.951 ( -4.844 -8.292 -6.218) 11.441 20.951 ( -4.844 8.292 -6.218) 11.441 22.411 ( 1.201 -1.261 3.519) 3.926 22.411 ( 1.201 1.261 3.519) 3.926 22.502 ( -1.124 -1.370 0.758) 1.928 22.502 ( -1.124 1.370 0.758) 1.928 23.176 ( 3.713 -1.887 4.331) 6.008 23.176 ( 3.713 1.887 4.331) 6.008 23.414 ( -2.348 -5.143 2.187) 6.061 23.414 ( -2.348 5.143 2.187) 6.061 ======================= Grid point 159 (60/90) ======================= q-point: ( 0.40 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.684 ( 11.655 -9.180 2.590) 15.061 2.684 ( 11.655 9.180 2.590) 15.061 2.912 ( -9.624 -7.032 1.020) 11.963 2.912 ( -9.624 7.032 1.020) 11.963 3.144 ( 0.138 -8.493 6.551) 10.727 3.144 ( 0.138 8.493 6.551) 10.727 3.217 ( -8.093 -7.589 6.283) 12.750 3.217 ( -8.093 7.589 6.283) 12.750 3.986 ( 7.336 -7.562 4.584) 11.490 3.986 ( 7.336 7.562 4.584) 11.490 4.074 ( -1.866 -10.929 6.189) 12.697 4.074 ( -1.866 10.929 6.189) 12.697 4.387 ( 1.889 -6.791 -3.478) 7.861 4.387 ( 1.889 6.791 -3.478) 7.861 4.446 ( -3.800 -7.892 -2.608) 9.139 4.446 ( -3.800 7.892 -2.608) 9.139 5.031 ( 3.844 -5.171 2.089) 6.773 5.031 ( 3.844 5.171 2.089) 6.773 5.115 ( -4.676 -6.740 1.224) 8.294 5.115 ( -4.676 6.740 1.224) 8.294 5.549 ( 7.635 -2.132 3.517) 8.673 5.549 ( 7.635 2.132 3.517) 8.673 5.631 ( -0.763 -1.181 4.699) 4.905 5.631 ( -0.763 1.181 4.699) 4.905 6.277 ( 1.928 -11.180 -2.745) 11.672 6.277 ( 1.928 11.180 -2.745) 11.672 6.368 ( -7.604 -11.022 -2.110) 13.555 6.368 ( -7.604 11.022 -2.110) 13.555 7.129 ( 8.313 -4.564 -4.647) 10.561 7.129 ( 8.313 4.564 -4.647) 10.561 7.270 ( -6.530 -5.425 -5.112) 9.910 7.270 ( -6.530 5.425 -5.112) 9.910 8.024 ( 2.694 -6.985 3.171) 8.131 8.024 ( 2.694 6.985 3.171) 8.131 8.084 ( -3.586 -7.917 1.792) 8.874 8.084 ( -3.586 7.917 1.792) 8.874 8.639 ( 5.674 -6.050 -4.481) 9.427 8.639 ( 5.674 6.050 -4.481) 9.427 8.733 ( -4.237 -6.885 -8.030) 11.394 8.733 ( -4.237 6.885 -8.030) 11.394 8.970 ( 4.781 -5.123 -10.116) 12.306 8.970 ( 4.781 5.123 -10.116) 12.306 9.070 ( -5.527 -3.822 -7.691) 10.213 9.070 ( -5.527 3.822 -7.691) 10.213 10.393 ( 3.775 -7.419 -6.449) 10.530 10.393 ( 3.775 7.419 -6.449) 10.530 10.454 ( -2.514 -10.144 -7.771) 13.023 10.454 ( -2.514 10.144 -7.771) 13.023 10.784 ( 3.530 -1.897 -1.219) 4.189 10.784 ( 3.530 1.897 -1.219) 4.189 10.866 ( -5.018 -2.459 -0.251) 5.594 10.866 ( -5.018 2.459 -0.251) 5.594 12.233 ( 1.942 -3.822 0.675) 4.340 12.233 ( 1.942 3.822 0.675) 4.340 12.280 ( -2.811 -3.206 0.404) 4.283 12.280 ( -2.811 3.206 0.404) 4.283 13.327 ( 3.187 -5.433 0.963) 6.372 13.327 ( 3.187 5.433 0.963) 6.372 13.342 ( 1.287 -5.828 0.406) 5.982 13.342 ( 1.287 5.828 0.406) 5.982 13.926 ( 4.597 -11.297 5.915) 13.555 13.926 ( 4.597 11.297 5.915) 13.555 14.061 ( -9.338 -8.443 3.165) 12.981 14.061 ( -9.338 8.443 3.165) 12.981 15.440 ( 6.413 -8.053 4.146) 11.098 15.440 ( 6.413 8.053 4.146) 11.098 15.546 ( -4.721 -8.597 3.404) 10.382 15.546 ( -4.721 8.597 3.404) 10.382 19.765 ( 5.045 -8.028 2.178) 9.729 19.765 ( 5.045 8.028 2.178) 9.729 19.863 ( -5.144 -8.976 0.634) 10.365 19.863 ( -5.144 8.976 0.634) 10.365 20.712 ( 6.103 -9.900 -8.348) 14.316 20.712 ( 6.103 9.900 -8.348) 14.316 20.837 ( -6.906 -9.749 -7.045) 13.870 20.837 ( -6.906 9.749 -7.045) 13.870 22.440 ( 1.808 -1.352 2.786) 3.586 22.440 ( 1.808 1.352 2.786) 3.586 22.474 ( -1.747 -1.394 1.787) 2.862 22.474 ( -1.747 1.394 1.787) 2.862 23.262 ( 5.088 -3.323 3.181) 6.859 23.262 ( 5.088 3.323 3.181) 6.859 23.351 ( -4.287 -4.432 2.430) 6.628 23.351 ( -4.287 4.432 2.430) 6.628 ======================= Grid point 180 (61/90) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.117 ( 0.000 0.000 19.841) 19.841 2.288 ( 0.000 0.000 21.808) 21.808 2.588 ( 0.000 0.000 -2.289) 2.289 2.723 ( 0.000 0.000 4.991) 4.991 2.851 ( 0.000 0.000 -2.112) 2.112 2.944 ( 0.000 0.000 -7.308) 7.308 3.194 ( 0.000 0.000 7.116) 7.116 3.395 ( 0.000 0.000 5.882) 5.882 3.549 ( 0.000 0.000 -7.066) 7.066 3.599 ( 0.000 0.000 6.111) 6.111 3.717 ( 0.000 0.000 -0.365) 0.365 3.738 ( 0.000 0.000 -9.238) 9.238 4.187 ( 0.000 0.000 6.143) 6.143 4.354 ( 0.000 0.000 8.077) 8.077 4.389 ( 0.000 0.000 4.440) 4.440 4.468 ( 0.000 0.000 -7.851) 7.851 4.770 ( 0.000 0.000 -1.385) 1.385 4.916 ( 0.000 0.000 -8.199) 8.199 5.069 ( 0.000 0.000 -0.479) 0.479 5.159 ( 0.000 0.000 -7.162) 7.162 5.200 ( 0.000 0.000 -0.558) 0.558 5.348 ( 0.000 0.000 -7.101) 7.101 5.733 ( 0.000 0.000 3.892) 3.892 5.780 ( 0.000 0.000 2.069) 2.069 5.842 ( 0.000 0.000 16.633) 16.633 5.848 ( 0.000 0.000 4.158) 4.158 6.028 ( 0.000 0.000 -4.282) 4.282 6.184 ( 0.000 0.000 -1.301) 1.301 6.585 ( 0.000 0.000 5.953) 5.953 6.835 ( 0.000 0.000 -6.547) 6.547 7.062 ( 0.000 0.000 3.017) 3.017 7.460 ( 0.000 0.000 -11.787) 11.787 7.743 ( 0.000 0.000 2.680) 2.680 7.823 ( 0.000 0.000 2.933) 2.933 8.128 ( 0.000 0.000 15.822) 15.822 8.235 ( 0.000 0.000 7.320) 7.320 8.619 ( 0.000 0.000 -11.839) 11.839 8.814 ( 0.000 0.000 -15.688) 15.688 8.841 ( 0.000 0.000 -2.852) 2.852 8.875 ( 0.000 0.000 -2.434) 2.434 9.111 ( 0.000 0.000 9.081) 9.081 9.233 ( 0.000 0.000 2.565) 2.565 9.462 ( 0.000 0.000 2.445) 2.445 9.497 ( 0.000 0.000 5.437) 5.437 9.743 ( 0.000 0.000 -13.369) 13.369 9.851 ( 0.000 0.000 -13.143) 13.143 10.221 ( 0.000 0.000 -5.115) 5.115 10.476 ( 0.000 0.000 -18.384) 18.384 10.947 ( 0.000 0.000 -3.240) 3.240 10.991 ( 0.000 0.000 -5.925) 5.925 11.515 ( 0.000 0.000 0.478) 0.478 11.604 ( 0.000 0.000 -4.547) 4.547 11.996 ( 0.000 0.000 3.089) 3.089 12.003 ( 0.000 0.000 3.037) 3.037 12.499 ( 0.000 0.000 4.850) 4.850 12.694 ( 0.000 0.000 -5.966) 5.966 12.735 ( 0.000 0.000 13.913) 13.913 13.027 ( 0.000 0.000 10.620) 10.620 13.229 ( 0.000 0.000 -10.222) 10.222 13.427 ( 0.000 0.000 -8.668) 8.668 13.446 ( 0.000 0.000 2.560) 2.560 13.501 ( 0.000 0.000 -2.437) 2.437 14.238 ( 0.000 0.000 5.159) 5.159 14.393 ( 0.000 0.000 -1.799) 1.799 15.182 ( 0.000 0.000 0.673) 0.673 15.215 ( 0.000 0.000 -1.255) 1.255 16.482 ( 0.000 0.000 9.275) 9.275 16.776 ( 0.000 0.000 -5.224) 5.224 18.773 ( 0.000 0.000 5.015) 5.015 18.843 ( 0.000 0.000 5.675) 5.675 18.985 ( 0.000 0.000 -5.346) 5.346 19.069 ( 0.000 0.000 -5.309) 5.309 20.545 ( 0.000 0.000 3.763) 3.763 20.676 ( 0.000 0.000 -1.719) 1.719 21.135 ( 0.000 0.000 5.211) 5.211 21.452 ( 0.000 0.000 -8.004) 8.004 22.426 ( 0.000 0.000 2.248) 2.248 22.489 ( 0.000 0.000 -1.336) 1.336 22.507 ( 0.000 0.000 1.378) 1.378 22.578 ( 0.000 0.000 -2.163) 2.163 23.291 ( 0.000 0.000 1.933) 1.933 23.301 ( 0.000 0.000 4.070) 4.070 23.519 ( 0.000 0.000 6.912) 6.912 23.913 ( 0.000 0.000 -11.041) 11.041 ======================= Grid point 181 (62/90) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( 4.971 0.000 18.686) 19.336 2.367 ( 7.998 0.000 19.408) 20.991 2.551 ( -4.160 0.000 3.508) 5.441 2.725 ( 0.698 0.000 0.714) 0.998 2.829 ( -2.671 0.000 1.347) 2.991 2.909 ( -3.408 0.000 -6.613) 7.439 3.113 ( -6.449 0.000 0.878) 6.508 3.288 ( -13.401 0.000 -4.953) 14.287 3.442 ( 4.550 0.000 3.780) 5.915 3.714 ( -2.583 0.000 -8.162) 8.561 3.760 ( 8.333 0.000 8.579) 11.960 3.939 ( 15.199 0.000 -0.874) 15.225 4.232 ( 4.597 0.000 5.044) 6.824 4.319 ( -2.176 0.000 6.794) 7.134 4.433 ( 3.659 0.000 3.408) 5.000 4.470 ( -0.262 0.000 -6.443) 6.448 4.770 ( 0.364 0.000 -2.269) 2.298 4.904 ( -1.404 0.000 -8.157) 8.277 5.089 ( 1.857 0.000 0.903) 2.065 5.171 ( 1.494 0.000 -6.166) 6.344 5.201 ( 0.177 0.000 -1.059) 1.074 5.318 ( -2.981 0.000 -6.175) 6.857 5.709 ( -11.842 0.000 12.997) 17.583 5.738 ( 0.523 0.000 3.666) 3.703 5.773 ( -8.777 0.000 9.304) 12.790 5.776 ( -0.405 0.000 2.192) 2.229 6.017 ( 0.015 0.000 -5.142) 5.142 6.163 ( -2.126 0.000 -4.677) 5.138 6.632 ( 5.284 0.000 7.219) 8.946 6.928 ( 6.304 0.000 -1.713) 6.533 7.046 ( -0.177 0.000 -1.635) 1.644 7.427 ( -3.542 0.000 -11.811) 12.331 7.751 ( 0.827 0.000 2.877) 2.993 7.816 ( -0.750 0.000 3.190) 3.277 8.144 ( 1.611 0.000 14.722) 14.809 8.230 ( -0.594 0.000 7.968) 7.990 8.635 ( 1.747 0.000 -12.324) 12.447 8.794 ( -2.066 0.000 -15.430) 15.568 8.858 ( 2.495 0.000 -0.451) 2.535 8.932 ( 4.315 0.000 -1.818) 4.682 9.111 ( 0.220 0.000 7.000) 7.004 9.230 ( -0.517 0.000 1.613) 1.693 9.463 ( 0.138 0.000 2.789) 2.792 9.492 ( -0.458 0.000 5.136) 5.156 9.753 ( 1.063 0.000 -13.294) 13.336 9.840 ( -1.085 0.000 -13.101) 13.146 10.245 ( 2.443 0.000 -6.377) 6.829 10.444 ( -3.103 0.000 -16.839) 17.123 10.999 ( 4.726 0.000 -3.371) 5.805 11.035 ( 5.144 0.000 -5.502) 7.532 11.454 ( -6.067 0.000 0.756) 6.114 11.550 ( -5.655 0.000 -4.279) 7.091 11.997 ( 0.089 0.000 3.016) 3.018 12.002 ( -0.034 0.000 2.959) 2.959 12.511 ( 1.358 0.000 2.939) 3.237 12.667 ( -2.651 0.000 -5.663) 6.253 12.754 ( 2.062 0.000 13.389) 13.547 12.978 ( -4.321 0.000 9.577) 10.506 13.268 ( 3.371 0.000 -8.692) 9.323 13.416 ( -1.146 0.000 -8.572) 8.648 13.482 ( 4.064 0.000 2.749) 4.906 13.552 ( 4.125 0.000 -2.045) 4.605 14.231 ( -0.540 0.000 4.454) 4.487 14.358 ( -3.556 0.000 -1.205) 3.755 15.167 ( -1.393 0.000 0.659) 1.541 15.191 ( -2.200 0.000 -0.768) 2.330 16.511 ( 2.993 0.000 8.230) 8.758 16.747 ( -3.023 0.000 -3.250) 4.438 18.778 ( 0.534 0.000 4.998) 5.026 18.833 ( -0.945 0.000 5.376) 5.458 18.996 ( 1.093 0.000 -5.107) 5.223 19.063 ( -0.662 0.000 -5.233) 5.275 20.579 ( 3.699 0.000 4.632) 5.928 20.737 ( 5.396 0.000 -1.337) 5.559 21.095 ( -3.305 0.000 3.238) 4.627 21.401 ( -5.453 0.000 -8.757) 10.316 22.426 ( 0.093 0.000 2.330) 2.332 22.469 ( -1.367 0.000 0.691) 1.532 22.523 ( 1.076 0.000 -0.224) 1.099 22.573 ( -0.532 0.000 -1.992) 2.062 23.282 ( 0.670 0.000 4.535) 4.584 23.343 ( 1.958 0.000 3.512) 4.021 23.542 ( 2.914 0.000 3.784) 4.776 23.873 ( -4.231 0.000 -9.967) 10.828 ======================= Grid point 182 (63/90) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.289 ( 7.838 0.000 15.603) 17.461 2.438 ( -7.608 0.000 10.955) 13.338 2.551 ( 10.769 0.000 14.241) 17.854 2.732 ( -7.901 0.000 8.803) 11.829 2.760 ( 3.111 0.000 -3.580) 4.743 2.833 ( -4.355 0.000 -5.295) 6.856 3.036 ( -0.645 0.000 -6.520) 6.552 3.096 ( -6.970 0.000 -7.003) 9.880 3.543 ( 5.844 0.000 -0.670) 5.882 3.644 ( -4.757 0.000 -5.096) 6.971 3.921 ( 8.453 0.000 11.208) 14.038 4.052 ( -3.963 0.000 7.568) 8.543 4.338 ( 6.120 0.000 2.173) 6.494 4.385 ( 8.784 0.000 0.128) 8.785 4.436 ( -3.794 0.000 -2.107) 4.340 4.480 ( -0.220 0.000 -0.370) 0.430 4.799 ( 2.878 0.000 -5.258) 5.994 4.861 ( -3.149 0.000 -7.548) 8.179 5.134 ( 3.491 0.000 1.748) 3.904 5.200 ( -0.655 0.000 -4.020) 4.073 5.213 ( 1.364 0.000 -2.317) 2.689 5.256 ( -3.143 0.000 -4.135) 5.194 5.507 ( -5.167 0.000 15.358) 16.204 5.581 ( -9.820 0.000 10.720) 14.538 5.751 ( 0.776 0.000 3.130) 3.224 5.765 ( -0.705 0.000 2.568) 2.663 6.044 ( 2.769 0.000 -6.848) 7.386 6.108 ( -3.618 0.000 -7.342) 8.185 6.763 ( 8.048 0.000 7.816) 11.218 6.903 ( -6.255 0.000 7.328) 9.635 7.165 ( 9.564 0.000 -10.980) 14.562 7.326 ( -7.268 0.000 -11.571) 13.664 7.772 ( 1.323 0.000 3.277) 3.534 7.797 ( -1.286 0.000 3.458) 3.689 8.180 ( 1.993 0.000 12.276) 12.436 8.212 ( -1.366 0.000 9.765) 9.860 8.681 ( 3.077 0.000 -13.479) 13.826 8.743 ( -3.261 0.000 -14.661) 15.019 8.924 ( 3.940 0.000 2.703) 4.778 8.975 ( -0.673 0.000 3.187) 3.257 9.141 ( 3.262 0.000 0.547) 3.308 9.203 ( -2.592 0.000 -0.205) 2.600 9.469 ( 0.494 0.000 3.570) 3.604 9.481 ( -0.712 0.000 4.428) 4.485 9.780 ( 1.730 0.000 -13.139) 13.253 9.813 ( -1.729 0.000 -13.062) 13.176 10.303 ( 3.682 0.000 -9.638) 10.317 10.376 ( -3.961 0.000 -13.527) 14.095 11.106 ( 6.586 0.000 -2.607) 7.083 11.158 ( 5.157 0.000 -5.327) 7.414 11.331 ( -4.392 0.000 0.586) 4.431 11.410 ( -8.552 0.000 -3.510) 9.245 11.999 ( 0.120 0.000 2.883) 2.885 12.001 ( -0.086 0.000 2.851) 2.853 12.549 ( 2.690 0.000 -0.736) 2.789 12.607 ( -3.424 0.000 -3.905) 5.194 12.809 ( 3.781 0.000 11.977) 12.559 12.890 ( -4.778 0.000 10.274) 11.331 13.332 ( 3.258 0.000 -8.131) 8.759 13.384 ( -2.283 0.000 -8.325) 8.633 13.572 ( 4.422 0.000 1.710) 4.741 13.608 ( 0.955 0.000 -0.506) 1.081 14.232 ( 1.074 0.000 2.628) 2.839 14.281 ( -3.995 0.000 0.453) 4.021 15.143 ( -0.681 0.000 0.546) 0.873 15.152 ( -1.569 0.000 0.090) 1.571 16.585 ( 4.619 0.000 5.311) 7.039 16.673 ( -4.616 0.000 1.071) 4.738 18.792 ( 0.971 0.000 4.977) 5.071 18.812 ( -1.187 0.000 5.057) 5.194 19.021 ( 1.416 0.000 -4.944) 5.143 19.046 ( -1.188 0.000 -5.058) 5.195 20.678 ( 6.497 0.000 6.073) 8.894 20.783 ( -2.804 0.000 4.879) 5.627 21.098 ( 5.767 0.000 -5.981) 8.309 21.258 ( -9.305 0.000 -9.412) 13.236 22.431 ( 0.523 0.000 2.407) 2.463 22.446 ( -1.054 0.000 1.981) 2.244 22.542 ( 1.022 0.000 -1.008) 1.436 22.560 ( -0.855 0.000 -1.576) 1.793 23.312 ( 2.165 0.000 5.830) 6.219 23.348 ( -1.270 0.000 5.816) 5.953 23.635 ( 6.687 0.000 -2.679) 7.204 23.766 ( -6.834 0.000 -7.109) 9.860 ======================= Grid point 185 (64/90) ======================= q-point: ( 0.00 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.289 ( 0.000 14.669 17.054) 22.494 2.300 ( 0.000 2.049 20.701) 20.802 2.742 ( 0.000 13.170 -2.877) 13.480 2.833 ( 0.000 5.310 0.762) 5.365 2.936 ( 0.000 11.503 1.704) 11.629 3.094 ( 0.000 12.808 -6.308) 14.277 3.177 ( 0.000 -1.494 7.199) 7.352 3.399 ( 0.000 1.295 4.975) 5.141 3.526 ( 0.000 -1.608 -6.158) 6.365 3.605 ( 0.000 -4.864 -2.485) 5.462 3.710 ( 0.000 10.065 7.215) 12.384 3.930 ( 0.000 11.798 -5.403) 12.977 4.211 ( 0.000 -0.069 9.150) 9.150 4.350 ( 0.000 -3.070 2.752) 4.123 4.402 ( 0.000 5.700 2.093) 6.072 4.557 ( 0.000 2.500 -7.468) 7.875 4.741 ( 0.000 3.814 -0.694) 3.877 4.870 ( 0.000 -1.481 -4.963) 5.180 5.120 ( 0.000 0.406 0.021) 0.407 5.199 ( 0.000 2.846 -2.657) 3.894 5.220 ( 0.000 3.392 -5.725) 6.654 5.298 ( 0.000 -3.275 -6.162) 6.979 5.711 ( 0.000 -2.296 1.172) 2.578 5.742 ( 0.000 -1.648 -1.216) 2.048 5.831 ( 0.000 -1.315 15.283) 15.339 5.946 ( 0.000 3.623 8.379) 9.128 6.166 ( 0.000 12.934 -0.783) 12.957 6.259 ( 0.000 10.170 -3.538) 10.768 6.588 ( 0.000 0.666 5.563) 5.602 6.808 ( 0.000 -2.171 -6.023) 6.403 7.019 ( 0.000 -3.877 2.458) 4.591 7.405 ( 0.000 -4.431 -11.119) 11.969 7.821 ( 0.000 6.381 1.323) 6.517 7.883 ( 0.000 5.488 2.856) 6.187 8.142 ( 0.000 1.202 13.944) 13.995 8.226 ( 0.000 -0.745 6.512) 6.554 8.568 ( 0.000 -4.691 -10.290) 11.308 8.767 ( 0.000 -4.095 -13.150) 13.773 8.813 ( 0.000 -3.089 -4.106) 5.138 8.838 ( 0.000 -3.430 -2.143) 4.044 9.101 ( 0.000 -0.674 8.283) 8.310 9.181 ( 0.000 -4.081 2.576) 4.826 9.496 ( 0.000 -5.946 -2.862) 6.599 9.502 ( 0.000 -0.400 -2.652) 2.682 9.700 ( 0.000 1.956 -7.232) 7.492 9.769 ( 0.000 -2.819 -8.352) 8.815 10.271 ( 0.000 3.350 -4.984) 6.005 10.497 ( 0.000 1.233 -16.359) 16.406 10.908 ( 0.000 -3.564 -2.808) 4.538 10.949 ( 0.000 -3.849 -5.594) 6.790 11.434 ( 0.000 -7.244 0.679) 7.276 11.505 ( 0.000 -8.350 -2.971) 8.863 12.035 ( 0.000 2.771 2.966) 4.060 12.056 ( 0.000 4.636 1.482) 4.867 12.463 ( 0.000 -2.321 3.922) 4.558 12.618 ( 0.000 -5.909 -4.722) 7.564 12.849 ( 0.000 8.571 13.015) 15.584 13.083 ( 0.000 5.990 8.985) 10.799 13.304 ( 0.000 -6.022 -3.175) 6.807 13.344 ( 0.000 8.002 -8.738) 11.848 13.491 ( 0.000 -0.763 -1.462) 1.649 13.555 ( 0.000 6.408 -3.405) 7.256 14.278 ( 0.000 3.191 4.493) 5.511 14.404 ( 0.000 0.880 -1.092) 1.403 15.176 ( 0.000 -0.144 0.552) 0.571 15.206 ( 0.000 -0.638 -1.183) 1.344 16.395 ( 0.000 -8.062 7.690) 11.142 16.572 ( 0.000 -17.322 -0.285) 17.325 18.911 ( 0.000 10.562 4.991) 11.682 19.043 ( 0.000 19.279 0.205) 19.280 19.110 ( 0.000 11.383 -4.675) 12.306 19.159 ( 0.000 8.486 -4.374) 9.547 20.522 ( 0.000 -2.307 3.712) 4.371 20.652 ( 0.000 -2.292 -1.810) 2.920 21.111 ( 0.000 -2.309 4.485) 5.044 21.410 ( 0.000 -4.088 -7.920) 8.913 22.428 ( 0.000 0.176 2.287) 2.294 22.487 ( 0.000 -0.228 -1.059) 1.083 22.505 ( 0.000 -0.122 1.226) 1.232 22.569 ( 0.000 -0.833 -1.965) 2.134 23.277 ( 0.000 -1.301 2.269) 2.616 23.292 ( 0.000 -0.820 3.727) 3.816 23.502 ( 0.000 -1.558 6.663) 6.843 23.854 ( 0.000 -5.370 -9.267) 10.710 ======================= Grid point 186 (65/90) ======================= q-point: ( 0.20 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.325 ( 4.308 12.592 16.577) 21.258 2.372 ( 6.700 2.406 17.635) 19.018 2.689 ( -4.682 10.953 2.962) 12.275 2.844 ( -0.948 4.475 -0.817) 4.646 2.914 ( -0.957 13.684 2.006) 13.863 3.053 ( -3.630 11.779 -5.628) 13.549 3.090 ( -6.866 -1.447 1.858) 7.259 3.273 ( -10.637 0.946 -2.704) 11.016 3.548 ( 4.186 7.516 0.656) 8.628 3.658 ( 4.140 -3.049 -0.071) 5.142 3.848 ( 6.450 4.897 5.467) 9.771 4.000 ( 9.154 7.324 -3.362) 12.196 4.213 ( -0.799 -1.210 8.045) 8.174 4.354 ( 1.455 -3.557 2.973) 4.859 4.437 ( 3.246 6.090 1.343) 7.030 4.585 ( 2.479 5.792 -7.570) 9.848 4.703 ( -3.356 -0.669 -0.060) 3.423 4.867 ( -0.781 -1.123 -5.789) 5.948 5.129 ( 0.592 0.587 0.444) 0.944 5.191 ( -0.619 1.218 -1.020) 1.705 5.237 ( 1.828 3.635 -5.081) 6.509 5.290 ( -0.305 -0.058 -5.485) 5.494 5.688 ( -5.760 -0.605 6.063) 8.385 5.723 ( 0.615 -1.641 0.811) 1.931 5.770 ( -5.298 0.337 8.692) 10.185 5.873 ( -6.348 3.623 6.530) 9.801 6.154 ( -0.644 12.846 -1.057) 12.905 6.248 ( -1.440 9.996 -4.271) 10.965 6.629 ( 4.727 0.213 6.338) 7.909 6.891 ( 5.591 -3.013 -1.400) 6.503 7.011 ( 0.552 -3.191 -2.227) 3.930 7.374 ( -3.329 -4.336 -11.220) 12.480 7.825 ( 0.395 6.095 1.789) 6.364 7.876 ( -0.734 5.461 3.110) 6.327 8.150 ( 0.867 0.478 12.934) 12.972 8.220 ( -0.694 -0.835 7.056) 7.139 8.582 ( 1.515 -4.874 -10.823) 11.966 8.741 ( -2.612 -4.956 -13.421) 14.543 8.834 ( 3.404 -2.169 -0.643) 4.087 8.908 ( 5.299 -2.872 -3.132) 6.793 9.086 ( -1.550 -1.591 7.178) 7.514 9.172 ( -1.150 -4.381 2.053) 4.972 9.498 ( 0.274 -4.996 -2.819) 5.743 9.505 ( 0.268 -1.169 -2.777) 3.025 9.706 ( 0.629 1.547 -7.468) 7.653 9.762 ( -0.728 -2.370 -8.354) 8.714 10.292 ( 2.108 3.177 -6.063) 7.162 10.466 ( -2.888 1.389 -14.919) 15.260 10.955 ( 4.226 -4.075 -2.877) 6.538 10.994 ( 5.098 -3.791 -5.304) 8.276 11.378 ( -5.570 -6.856 0.999) 8.890 11.463 ( -4.629 -7.610 -3.264) 9.486 12.032 ( -0.256 2.589 2.965) 3.945 12.048 ( -0.694 4.081 1.834) 4.527 12.469 ( 0.766 -2.750 2.772) 3.980 12.593 ( -2.434 -5.627 -4.101) 7.376 12.873 ( 2.389 8.924 12.129) 15.246 13.058 ( -2.437 6.984 8.657) 11.387 13.327 ( 1.788 -3.810 -5.663) 7.055 13.363 ( 1.583 5.964 -7.777) 9.928 13.507 ( 2.359 0.356 0.487) 2.435 13.587 ( 2.675 3.741 -2.967) 5.473 14.269 ( -0.849 2.941 3.981) 5.022 14.371 ( -3.304 1.078 -0.576) 3.523 15.163 ( -1.235 0.000 0.551) 1.352 15.185 ( -1.974 -0.354 -0.705) 2.126 16.417 ( 2.204 -8.687 7.032) 11.392 16.559 ( -1.362 -16.039 0.634) 16.109 18.920 ( 0.879 11.131 4.838) 12.169 19.023 ( -1.942 17.753 1.241) 17.902 19.118 ( 0.722 11.170 -4.727) 12.151 19.158 ( -0.167 9.334 -4.623) 10.417 20.554 ( 3.535 -2.443 4.511) 6.230 20.709 ( 4.886 -2.764 -1.376) 5.780 21.073 ( -3.127 -2.167 2.587) 4.601 21.360 ( -5.282 -3.953 -8.623) 10.858 22.429 ( 0.146 0.233 2.336) 2.353 22.470 ( -1.228 0.038 0.636) 1.383 22.519 ( 0.977 -0.347 -0.064) 1.038 22.565 ( -0.432 -0.733 -1.809) 1.999 23.273 ( 0.850 -0.846 4.409) 4.570 23.333 ( 2.213 -0.870 3.193) 3.981 23.517 ( 2.223 -2.188 4.056) 5.117 23.817 ( -3.887 -5.073 -8.381) 10.540 ======================= Grid point 187 (66/90) ======================= q-point: ( 0.40 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.433 ( 6.716 12.140 13.284) 19.207 2.515 ( 4.466 3.158 11.488) 12.723 2.602 ( -0.765 7.778 10.565) 13.141 2.745 ( -8.804 1.661 7.916) 11.956 2.936 ( 2.349 15.445 -2.310) 15.792 2.985 ( -3.228 12.076 -4.840) 13.405 3.012 ( -0.030 -1.585 -5.282) 5.515 3.093 ( -7.827 1.386 -5.088) 9.438 3.634 ( 4.291 7.434 -0.719) 8.614 3.689 ( -1.160 3.030 -2.105) 3.867 3.958 ( 6.850 3.623 9.033) 11.901 4.080 ( -4.642 3.608 4.471) 7.386 4.275 ( 9.193 -4.740 2.231) 10.581 4.383 ( -0.712 -5.419 0.681) 5.508 4.501 ( 3.338 6.110 0.891) 7.019 4.570 ( -4.311 9.819 0.102) 10.724 4.714 ( 5.416 -4.941 -6.971) 10.116 4.819 ( -4.598 -1.332 -7.586) 8.970 5.140 ( 1.111 -1.100 3.279) 3.633 5.173 ( -1.706 -0.456 1.659) 2.423 5.276 ( 2.221 4.356 -4.377) 6.563 5.302 ( 0.594 5.477 -4.814) 7.316 5.571 ( -2.894 4.600 11.984) 13.159 5.638 ( -7.786 4.239 8.702) 12.422 5.747 ( 1.667 -1.027 -0.390) 1.997 5.786 ( -2.756 0.655 0.681) 2.914 6.160 ( 1.531 11.408 -2.538) 11.787 6.205 ( -2.850 10.071 -4.166) 11.265 6.749 ( 7.368 -0.881 6.712) 10.006 6.875 ( -5.398 -2.291 6.418) 8.693 7.125 ( 9.055 -3.469 -10.654) 14.406 7.279 ( -6.919 -4.027 -11.170) 13.742 7.837 ( 0.965 5.665 2.760) 6.375 7.858 ( -1.147 5.475 3.317) 6.503 8.173 ( 1.510 -0.594 10.731) 10.853 8.201 ( -1.331 -0.947 8.564) 8.718 8.624 ( 2.862 -5.239 -11.902) 13.316 8.683 ( -3.342 -5.390 -12.810) 14.294 8.917 ( 4.870 -0.903 1.882) 5.299 8.981 ( -0.034 -0.004 1.539) 1.539 9.069 ( 1.774 -5.514 1.819) 6.071 9.132 ( -3.235 -5.159 0.684) 6.128 9.505 ( 0.336 -3.665 -2.897) 4.684 9.508 ( -0.017 -2.229 -2.931) 3.682 9.722 ( 1.111 0.402 -7.910) 7.998 9.744 ( -1.144 -1.129 -8.236) 8.392 10.342 ( 3.139 2.669 -8.834) 9.748 10.404 ( -3.450 1.955 -12.079) 12.713 11.053 ( 6.154 -4.838 -2.058) 8.094 11.108 ( 4.245 -4.702 -4.891) 8.003 11.267 ( -3.564 -5.764 0.625) 6.806 11.343 ( -7.586 -6.106 -3.217) 10.256 12.030 ( 0.085 2.526 2.804) 3.775 12.036 ( -0.540 3.087 2.389) 3.940 12.494 ( 1.952 -3.776 0.302) 4.262 12.540 ( -2.883 -4.845 -2.252) 6.072 12.931 ( 3.623 9.261 10.363) 14.362 13.000 ( -3.625 8.599 8.964) 12.940 13.357 ( 1.401 -0.281 -7.296) 7.434 13.376 ( -0.376 2.542 -7.702) 8.120 13.579 ( 4.229 0.555 1.040) 4.390 13.621 ( 0.157 1.356 -1.183) 1.806 14.261 ( 0.556 2.306 2.634) 3.545 14.301 ( -3.529 1.595 0.874) 3.971 15.142 ( -0.587 0.249 0.478) 0.797 15.150 ( -1.387 0.171 0.083) 1.400 16.468 ( 3.077 -10.491 5.240) 12.124 16.522 ( -2.568 -13.218 2.828) 13.759 18.944 ( 1.714 12.728 4.257) 13.530 18.982 ( -2.270 15.089 3.017) 15.555 19.134 ( 0.963 10.792 -4.831) 11.863 19.150 ( -0.696 10.287 -4.849) 11.394 20.649 ( 6.221 -2.814 5.748) 8.925 20.748 ( -2.634 -3.280 4.336) 6.041 21.075 ( 5.200 -2.359 -5.832) 8.162 21.224 ( -8.825 -3.397 -9.202) 13.195 22.435 ( 0.526 0.299 2.335) 2.412 22.449 ( -0.975 0.237 1.866) 2.119 22.537 ( 0.966 -0.474 -0.814) 1.349 22.554 ( -0.775 -0.577 -1.395) 1.697 23.305 ( 2.270 -0.584 5.576) 6.048 23.342 ( -1.220 -0.499 5.459) 5.616 23.598 ( 6.079 -3.425 -1.967) 7.250 23.719 ( -6.324 -4.349 -5.955) 9.715 ======================= Grid point 190 (67/90) ======================= q-point: ( 0.00 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.386 ( 0.000 6.106 18.700) 19.671 2.605 ( 0.000 13.517 11.580) 17.799 2.928 ( 0.000 5.271 0.094) 5.272 3.033 ( 0.000 12.414 -5.337) 13.513 3.070 ( 0.000 -2.943 2.291) 3.730 3.284 ( 0.000 12.404 7.425) 14.457 3.319 ( 0.000 2.934 -7.359) 7.922 3.501 ( 0.000 9.515 3.250) 10.055 3.542 ( 0.000 3.279 3.227) 4.601 3.554 ( 0.000 4.995 -5.144) 7.170 3.954 ( 0.000 11.995 7.549) 14.173 4.101 ( 0.000 0.856 3.243) 3.354 4.181 ( 0.000 -1.423 7.792) 7.921 4.353 ( 0.000 3.836 -8.744) 9.548 4.485 ( 0.000 -1.723 0.690) 1.857 4.519 ( 0.000 4.029 -3.789) 5.531 4.887 ( 0.000 1.325 -0.464) 1.403 4.940 ( 0.000 4.376 -3.571) 5.648 5.072 ( 0.000 -2.397 0.600) 2.471 5.179 ( 0.000 -0.649 -4.653) 4.698 5.358 ( 0.000 10.484 -2.434) 10.763 5.406 ( 0.000 13.024 -1.977) 13.173 5.643 ( 0.000 -3.879 -0.414) 3.902 5.732 ( 0.000 1.172 0.144) 1.180 5.784 ( 0.000 -3.036 12.470) 12.834 5.949 ( 0.000 -0.092 3.932) 3.933 6.506 ( 0.000 17.988 2.080) 18.107 6.513 ( 0.000 5.785 2.324) 6.235 6.698 ( 0.000 14.516 -1.588) 14.602 6.767 ( 0.000 -1.345 -4.703) 4.891 6.926 ( 0.000 -3.993 1.522) 4.274 7.305 ( 0.000 -4.725 -11.560) 12.488 7.953 ( 0.000 5.248 1.105) 5.363 8.024 ( 0.000 7.157 4.272) 8.335 8.173 ( 0.000 2.112 7.789) 8.071 8.220 ( 0.000 0.877 4.476) 4.561 8.438 ( 0.000 -7.662 -7.524) 10.738 8.635 ( 0.000 -9.005 -11.668) 14.739 8.735 ( 0.000 -3.789 -2.583) 4.586 8.751 ( 0.000 -4.646 -1.030) 4.758 9.069 ( 0.000 -7.525 0.513) 7.543 9.070 ( 0.000 -4.165 4.396) 6.056 9.250 ( 0.000 -12.682 -10.436) 16.424 9.349 ( 0.000 -10.357 -10.265) 14.582 9.858 ( 0.000 10.279 -1.512) 10.390 9.874 ( 0.000 10.117 -0.915) 10.158 10.322 ( 0.000 1.387 -3.739) 3.988 10.505 ( 0.000 -0.574 -12.330) 12.343 10.819 ( 0.000 -4.493 -1.868) 4.866 10.845 ( 0.000 -5.900 -4.536) 7.442 11.248 ( 0.000 -10.165 0.768) 10.194 11.302 ( 0.000 -10.650 -1.486) 10.753 12.101 ( 0.000 3.431 2.539) 4.269 12.151 ( 0.000 4.218 -0.207) 4.223 12.418 ( 0.000 -2.088 1.805) 2.760 12.493 ( 0.000 -5.801 -2.550) 6.337 13.008 ( 0.000 6.615 9.292) 11.406 13.202 ( 0.000 -3.416 -1.246) 3.636 13.261 ( 0.000 7.992 4.042) 8.956 13.437 ( 0.000 0.549 -3.468) 3.512 13.506 ( 0.000 4.699 3.775) 6.027 13.763 ( 0.000 13.125 -7.417) 15.076 14.322 ( 0.000 -0.048 4.087) 4.088 14.416 ( 0.000 -0.136 -0.135) 0.192 15.202 ( 0.000 3.341 0.036) 3.341 15.202 ( 0.000 0.719 -0.294) 0.777 16.169 ( 0.000 -20.079 5.685) 20.868 16.176 ( 0.000 -12.500 4.385) 13.247 19.185 ( 0.000 15.372 4.842) 16.116 19.378 ( 0.000 13.415 -4.322) 14.094 19.425 ( 0.000 16.433 -1.120) 16.471 19.508 ( 0.000 23.331 -6.739) 24.285 20.451 ( 0.000 -4.436 3.536) 5.673 20.585 ( 0.000 -3.922 -2.472) 4.636 21.039 ( 0.000 -4.720 2.552) 5.365 21.283 ( 0.000 -8.159 -7.487) 11.073 22.433 ( 0.000 0.338 2.316) 2.341 22.479 ( 0.000 -0.468 -0.279) 0.545 22.503 ( 0.000 -0.107 0.800) 0.807 22.547 ( 0.000 -1.200 -1.502) 1.923 23.245 ( 0.000 -1.597 2.869) 3.283 23.269 ( 0.000 -1.346 2.963) 3.254 23.465 ( 0.000 -1.665 5.925) 6.155 23.717 ( 0.000 -7.337 -5.353) 9.082 ======================= Grid point 191 (68/90) ======================= q-point: ( 0.20 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.428 ( 4.805 4.764 16.191) 17.548 2.625 ( 2.152 12.339 10.270) 16.197 2.871 ( -5.389 5.996 2.764) 8.523 2.958 ( -5.785 2.767 -4.404) 7.779 3.058 ( -3.239 4.581 3.725) 6.735 3.214 ( -5.762 4.386 -4.630) 8.595 3.280 ( -2.310 13.063 1.974) 13.412 3.433 ( -5.823 12.647 -2.671) 14.177 3.617 ( 6.897 0.906 3.979) 8.014 3.670 ( 8.662 4.704 -1.635) 9.992 3.987 ( 1.366 8.676 7.788) 11.738 4.100 ( 3.295 -0.253 7.031) 7.769 4.245 ( 3.533 -3.197 3.685) 6.023 4.319 ( -2.588 10.260 -7.312) 12.862 4.488 ( 0.537 -4.621 0.274) 4.660 4.547 ( 1.855 0.424 -4.883) 5.240 4.858 ( -2.886 3.964 -0.324) 4.915 4.915 ( -1.286 4.183 -1.550) 4.643 5.090 ( 1.560 -1.778 1.517) 2.810 5.244 ( 6.129 3.200 -5.426) 8.789 5.341 ( -1.855 9.526 0.710) 9.731 5.431 ( 2.149 12.882 -3.060) 13.414 5.662 ( 1.838 -3.030 -1.516) 3.854 5.706 ( -2.558 2.189 4.338) 5.491 5.761 ( -2.075 -1.383 7.159) 7.581 5.889 ( -5.788 0.187 3.455) 6.743 6.483 ( -2.107 16.205 2.003) 16.464 6.488 ( -2.176 6.694 2.198) 7.374 6.717 ( 2.381 11.766 -0.712) 12.025 6.837 ( 4.799 -1.172 -0.983) 5.036 6.935 ( 1.925 -3.095 -2.913) 4.665 7.277 ( -3.086 -4.528 -11.376) 12.627 7.952 ( 0.062 5.066 1.796) 5.375 8.014 ( -0.985 6.912 4.496) 8.304 8.165 ( -0.451 1.528 6.846) 7.029 8.213 ( -0.776 1.027 4.572) 4.750 8.449 ( 1.186 -7.780 -7.981) 11.208 8.597 ( -3.144 -8.833 -10.452) 14.041 8.777 ( 4.438 -3.151 -1.438) 5.630 8.818 ( 5.696 -5.220 -1.650) 7.900 9.036 ( -2.693 -5.485 2.430) 6.576 9.074 ( -0.775 -4.920 2.582) 5.610 9.250 ( 0.163 -13.982 -11.278) 17.964 9.335 ( -1.443 -11.370 -10.818) 15.761 9.861 ( 0.375 10.316 -1.512) 10.433 9.875 ( 0.095 10.223 -1.044) 10.276 10.340 ( 1.808 1.270 -4.736) 5.226 10.480 ( -2.284 -0.137 -11.311) 11.540 10.850 ( 3.028 -5.508 -1.861) 6.556 10.891 ( 4.622 -5.912 -4.295) 8.646 11.202 ( -4.518 -9.546 1.198) 10.629 11.271 ( -3.464 -10.384 -1.959) 11.120 12.095 ( -0.470 3.333 2.558) 4.228 12.136 ( -1.409 4.106 0.356) 4.356 12.416 ( -0.168 -2.549 1.275) 2.855 12.475 ( -1.686 -5.446 -2.246) 6.128 13.039 ( 3.064 6.917 8.570) 11.431 13.226 ( -0.623 2.305 2.223) 3.263 13.263 ( 3.104 3.450 0.559) 4.674 13.460 ( 1.477 0.902 -4.680) 4.990 13.533 ( 3.117 4.434 3.680) 6.551 13.739 ( -2.257 11.173 -5.818) 12.798 14.307 ( -1.392 -0.311 3.844) 4.100 14.386 ( -3.057 -0.178 0.190) 3.069 15.185 ( -0.996 2.087 0.528) 2.372 15.202 ( -0.609 3.270 -0.352) 3.345 16.178 ( 0.851 -17.807 5.276) 18.592 16.186 ( 0.851 -14.618 4.452) 15.305 19.203 ( 1.835 15.607 4.415) 16.323 19.365 ( -1.703 14.055 -2.712) 14.415 19.424 ( 0.321 17.151 -2.058) 17.277 19.496 ( -1.126 21.877 -6.023) 22.719 20.480 ( 3.241 -4.488 4.064) 6.867 20.630 ( 3.751 -4.566 -2.000) 6.238 21.002 ( -2.995 -4.756 1.027) 5.714 21.237 ( -4.837 -7.963 -8.075) 12.329 22.436 ( 0.287 0.430 2.286) 2.344 22.471 ( -0.746 0.104 0.487) 0.897 22.509 ( 0.621 -0.594 0.355) 0.930 22.546 ( -0.233 -1.097 -1.371) 1.771 23.252 ( 1.380 -1.010 4.085) 4.429 23.310 ( 2.943 -1.350 2.296) 3.969 23.464 ( 0.365 -2.559 4.591) 5.269 23.686 ( -3.191 -7.015 -4.841) 9.101 ======================= Grid point 192 (69/90) ======================= q-point: ( 0.40 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.564 ( 9.219 2.871 10.504) 14.268 2.687 ( 3.139 10.312 7.450) 13.104 2.751 ( -5.729 4.204 5.420) 8.937 2.837 ( -7.699 5.770 2.495) 9.939 2.998 ( -0.364 2.326 1.216) 2.650 3.071 ( -7.568 1.318 -3.505) 8.444 3.291 ( 2.300 15.279 -1.900) 15.568 3.344 ( -3.553 14.701 -3.028) 15.424 3.732 ( 4.694 2.329 3.894) 6.529 3.774 ( 1.054 4.733 0.678) 4.896 4.041 ( 6.015 4.163 5.419) 9.104 4.157 ( -3.038 -0.097 4.464) 5.401 4.255 ( 2.851 3.389 -2.173) 4.933 4.311 ( -0.726 4.120 1.935) 4.609 4.509 ( 1.766 -5.569 -0.880) 5.908 4.549 ( -1.828 -4.936 -3.207) 6.164 4.835 ( 1.140 6.804 -1.520) 7.065 4.879 ( -2.697 4.035 -2.689) 5.549 5.154 ( 5.583 4.354 5.973) 9.262 5.269 ( -5.574 9.034 5.486) 11.949 5.375 ( 6.672 5.963 -5.105) 10.302 5.455 ( -0.938 10.514 -4.549) 11.495 5.667 ( -0.187 5.564 5.936) 8.138 5.695 ( -0.219 -0.775 -2.539) 2.663 5.723 ( -0.355 0.873 3.945) 4.056 5.775 ( -5.080 -0.792 1.255) 5.292 6.447 ( -1.214 12.824 1.818) 13.009 6.450 ( -1.468 8.959 1.837) 9.263 6.781 ( 4.043 6.381 1.562) 7.713 6.848 ( -2.550 1.443 3.438) 4.517 7.046 ( 8.236 -3.402 -9.696) 13.169 7.188 ( -6.464 -4.083 -10.748) 13.190 7.963 ( 1.107 5.215 3.362) 6.303 7.989 ( -1.581 6.060 4.558) 7.746 8.168 ( 0.863 1.046 5.345) 5.514 8.192 ( -1.406 1.067 4.733) 5.052 8.482 ( 2.396 -8.171 -8.939) 12.346 8.536 ( -3.245 -8.629 -9.793) 13.450 8.875 ( 5.530 -3.492 0.528) 6.562 8.933 ( 6.122 -5.000 -0.084) 7.904 8.970 ( -4.302 -4.237 1.904) 6.331 9.031 ( -3.902 -3.963 1.637) 5.797 9.264 ( 1.419 -15.199 -12.189) 19.534 9.299 ( -2.154 -13.652 -11.831) 18.193 9.870 ( 0.455 10.379 -1.472) 10.492 9.876 ( -0.128 10.368 -1.300) 10.450 10.383 ( 2.577 1.015 -7.103) 7.624 10.432 ( -2.674 0.577 -9.452) 9.839 10.927 ( 4.963 -6.778 -0.956) 8.455 10.979 ( 2.433 -7.269 -3.457) 8.409 11.117 ( -2.089 -8.276 0.666) 8.562 11.180 ( -5.757 -9.166 -2.319) 11.069 12.093 ( 0.350 3.381 2.311) 4.110 12.109 ( -1.316 3.758 1.469) 4.244 12.419 ( 0.618 -3.617 -0.007) 3.669 12.441 ( -1.727 -4.646 -1.344) 5.136 13.108 ( 4.009 7.273 7.309) 11.063 13.179 ( -3.458 6.944 5.980) 9.795 13.359 ( 5.797 1.549 -3.732) 7.067 13.449 ( -3.081 2.078 -5.359) 6.522 13.615 ( 4.882 4.201 1.551) 6.625 13.690 ( -3.069 6.516 -1.918) 7.454 14.289 ( 0.037 -0.568 2.944) 2.999 14.321 ( -3.214 -0.417 1.422) 3.539 15.175 ( 0.049 3.401 0.626) 3.458 15.186 ( -0.967 4.068 0.081) 4.182 16.194 ( 0.719 -16.333 4.759) 17.027 16.199 ( 0.292 -15.849 4.474) 16.471 19.251 ( 3.186 16.012 3.023) 16.603 19.314 ( -3.425 15.729 0.568) 16.108 19.442 ( 1.408 17.780 -3.697) 18.215 19.470 ( -1.548 19.398 -4.823) 20.048 20.568 ( 5.688 -4.754 4.652) 8.752 20.657 ( -2.374 -5.124 2.702) 6.261 20.995 ( 3.754 -5.594 -5.480) 8.684 21.116 ( -7.615 -7.145 -8.515) 13.474 22.444 ( 0.573 0.571 2.096) 2.247 22.456 ( -0.782 0.523 1.522) 1.790 22.523 ( 0.841 -0.872 -0.307) 1.250 22.537 ( -0.633 -0.965 -0.935) 1.486 23.292 ( 2.622 -0.478 4.874) 5.555 23.332 ( -1.010 -0.289 4.442) 4.565 23.508 ( 4.508 -4.941 -0.275) 6.694 23.605 ( -5.244 -6.195 -3.324) 8.771 ======================= Grid point 195 (70/90) ======================= q-point: ( 0.00 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.538 ( 0.000 8.249 15.266) 17.352 2.778 ( 0.000 2.064 6.036) 6.379 3.005 ( 0.000 0.390 7.622) 7.632 3.060 ( 0.000 5.661 -1.417) 5.836 3.176 ( 0.000 1.722 -6.404) 6.631 3.237 ( 0.000 -6.832 -2.866) 7.409 3.479 ( 0.000 7.191 2.714) 7.686 3.643 ( 0.000 4.618 -2.533) 5.267 3.725 ( 0.000 8.893 2.428) 9.218 3.727 ( 0.000 5.436 2.215) 5.870 4.108 ( 0.000 1.756 5.424) 5.701 4.110 ( 0.000 5.092 4.422) 6.744 4.250 ( 0.000 9.926 3.576) 10.550 4.275 ( 0.000 -6.315 -1.160) 6.421 4.532 ( 0.000 -4.231 -3.215) 5.314 4.639 ( 0.000 5.573 -7.067) 9.000 4.869 ( 0.000 -3.311 0.129) 3.314 4.921 ( 0.000 4.044 -2.498) 4.753 5.048 ( 0.000 -0.390 2.448) 2.479 5.195 ( 0.000 -1.041 -4.368) 4.491 5.493 ( 0.000 1.827 2.107) 2.789 5.545 ( 0.000 -3.644 7.208) 8.077 5.696 ( 0.000 -0.657 6.216) 6.251 5.730 ( 0.000 -2.705 7.778) 8.235 5.851 ( 0.000 20.682 -0.655) 20.693 6.137 ( 0.000 17.792 -7.467) 19.296 6.532 ( 0.000 -1.789 5.091) 5.396 6.743 ( 0.000 0.938 -5.033) 5.120 6.787 ( 0.000 -3.414 -3.840) 5.138 6.791 ( 0.000 3.357 1.397) 3.636 7.112 ( 0.000 15.789 -1.875) 15.900 7.253 ( 0.000 1.300 -9.427) 9.516 8.012 ( 0.000 1.333 3.556) 3.798 8.116 ( 0.000 1.952 6.141) 6.444 8.220 ( 0.000 -4.539 6.257) 7.730 8.283 ( 0.000 3.721 2.652) 4.570 8.327 ( 0.000 4.445 -11.511) 12.339 8.425 ( 0.000 -9.079 -9.120) 12.868 8.659 ( 0.000 -4.230 0.345) 4.244 8.668 ( 0.000 -2.518 -3.648) 4.432 8.842 ( 0.000 -13.671 -9.429) 16.608 8.853 ( 0.000 -12.523 -6.554) 14.134 9.136 ( 0.000 -1.094 -0.830) 1.373 9.192 ( 0.000 -4.599 -4.387) 6.356 10.068 ( 0.000 9.538 -2.181) 9.784 10.104 ( 0.000 11.350 -2.884) 11.710 10.322 ( 0.000 -1.486 -2.241) 2.689 10.470 ( 0.000 -3.197 -9.136) 9.679 10.728 ( 0.000 -4.488 -1.551) 4.749 10.745 ( 0.000 -2.491 -1.035) 2.698 11.049 ( 0.000 -8.029 0.324) 8.035 11.096 ( 0.000 -8.771 -1.118) 8.842 12.173 ( 0.000 3.482 1.772) 3.907 12.222 ( 0.000 2.506 -0.755) 2.617 12.374 ( 0.000 -2.219 0.256) 2.234 12.387 ( 0.000 -4.281 -0.775) 4.351 13.133 ( 0.000 5.398 3.441) 6.402 13.169 ( 0.000 0.106 -0.835) 0.842 13.307 ( 0.000 -0.950 1.063) 1.426 13.403 ( 0.000 -3.232 -0.086) 3.233 13.739 ( 0.000 14.866 8.073) 16.917 14.030 ( 0.000 11.608 -6.191) 13.156 14.253 ( 0.000 -6.427 4.441) 7.812 14.381 ( 0.000 -3.643 -1.131) 3.814 15.255 ( 0.000 4.673 2.486) 5.293 15.320 ( 0.000 7.312 0.036) 7.312 15.796 ( 0.000 -15.003 7.027) 16.567 15.906 ( 0.000 -13.242 1.427) 13.319 19.503 ( 0.000 14.468 4.382) 15.117 19.651 ( 0.000 11.592 -2.619) 11.884 19.737 ( 0.000 12.255 1.632) 12.364 19.914 ( 0.000 13.322 -8.377) 15.737 20.365 ( 0.000 -2.088 2.204) 3.036 20.510 ( 0.000 -2.861 -4.699) 5.502 20.927 ( 0.000 -5.398 -0.023) 5.398 21.084 ( 0.000 -10.663 -6.384) 12.428 22.442 ( 0.000 0.514 2.164) 2.225 22.468 ( 0.000 -0.649 0.782) 1.016 22.502 ( 0.000 0.091 0.183) 0.204 22.524 ( 0.000 -1.010 -1.014) 1.431 23.219 ( 0.000 -0.741 3.082) 3.170 23.240 ( 0.000 -1.398 2.558) 2.915 23.447 ( 0.000 0.210 4.409) 4.414 23.576 ( 0.000 -5.981 -1.373) 6.137 ======================= Grid point 196 (71/90) ======================= q-point: ( 0.20 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.550 ( 2.064 6.741 12.455) 14.312 2.765 ( -0.580 0.299 3.426) 3.487 2.957 ( -4.183 3.203 5.113) 7.341 3.011 ( -4.760 5.420 -1.397) 7.348 3.164 ( -2.993 2.880 0.798) 4.230 3.221 ( -2.597 -2.713 -4.299) 5.708 3.430 ( -3.043 2.303 1.367) 4.054 3.551 ( -7.743 -0.949 -1.739) 7.993 3.764 ( 4.955 9.353 4.079) 11.343 3.819 ( 7.796 8.509 0.765) 11.565 4.088 ( 0.605 3.383 8.546) 9.211 4.178 ( 3.567 4.684 2.514) 6.402 4.250 ( -0.044 6.954 1.337) 7.081 4.312 ( 3.360 -6.564 -1.100) 7.456 4.510 ( -2.307 -4.628 -3.116) 6.037 4.574 ( -5.884 4.039 -5.584) 9.061 4.891 ( 2.079 1.037 1.849) 2.970 4.962 ( 2.151 6.670 -0.405) 7.020 5.085 ( 4.572 -1.244 2.424) 5.323 5.265 ( 6.259 -2.042 -4.331) 7.881 5.469 ( -0.873 2.078 4.179) 4.748 5.585 ( 3.188 -3.325 4.720) 6.595 5.707 ( 1.082 -1.195 6.460) 6.658 5.746 ( 0.855 -1.586 6.433) 6.681 5.840 ( -0.608 21.537 -2.255) 21.663 6.072 ( -6.494 18.435 -7.075) 20.787 6.490 ( -2.914 -4.245 4.307) 6.713 6.662 ( -7.122 -1.853 -0.428) 7.371 6.820 ( 6.290 1.810 -3.146) 7.262 6.902 ( 6.173 2.259 -3.941) 7.664 7.091 ( -2.222 14.583 -1.706) 14.850 7.230 ( -2.601 1.328 -9.074) 9.532 8.008 ( -0.041 1.451 3.929) 4.188 8.099 ( -1.751 1.774 6.057) 6.549 8.223 ( 0.331 -3.275 5.984) 6.830 8.275 ( -0.806 3.061 1.990) 3.739 8.325 ( 0.085 2.533 -10.623) 10.922 8.407 ( -1.722 -6.581 -9.547) 11.722 8.696 ( 3.065 -5.588 -1.496) 6.546 8.728 ( 5.826 -2.616 -1.202) 6.499 8.831 ( -1.407 -12.734 -7.298) 14.745 8.873 ( 2.731 -12.191 -8.150) 14.917 9.103 ( -3.527 -1.703 -1.232) 4.105 9.159 ( -3.445 -5.201 -4.827) 7.887 10.075 ( 0.663 9.811 -2.371) 10.115 10.106 ( 0.084 11.396 -2.949) 11.772 10.337 ( 1.555 -1.760 -3.158) 3.936 10.456 ( -1.445 -2.717 -8.651) 9.182 10.747 ( 2.132 -4.031 -0.770) 4.624 10.780 ( 3.323 -3.902 -1.508) 5.343 11.015 ( -3.435 -7.639 0.741) 8.408 11.065 ( -3.129 -8.838 -1.118) 9.442 12.166 ( -0.485 3.496 1.779) 3.953 12.211 ( -1.069 3.018 -0.510) 3.242 12.357 ( -1.376 -3.295 0.214) 3.577 12.378 ( -1.084 -3.733 -0.937) 3.998 13.170 ( 3.489 5.737 3.218) 7.446 13.215 ( 4.124 0.400 -0.951) 4.252 13.318 ( 1.441 -0.350 1.467) 2.086 13.426 ( 1.755 -3.409 -1.102) 3.989 13.744 ( 0.921 13.921 7.248) 15.722 13.986 ( -4.477 11.536 -4.800) 13.273 14.233 ( -1.632 -6.742 4.595) 8.321 14.343 ( -3.824 -4.302 -0.537) 5.781 15.266 ( 1.305 6.265 2.540) 6.885 15.330 ( 0.654 8.407 -0.265) 8.436 15.811 ( 1.509 -15.714 6.369) 17.023 15.900 ( -0.603 -13.890 1.794) 14.019 19.523 ( 2.048 14.557 3.962) 15.225 19.652 ( -0.228 12.817 -2.138) 12.996 19.738 ( 0.529 11.512 1.299) 11.597 19.889 ( -2.576 13.017 -6.917) 14.964 20.398 ( 3.524 -1.671 2.064) 4.413 20.545 ( 3.174 -2.899 -4.534) 6.248 20.883 ( -3.944 -6.112 -0.653) 7.303 21.040 ( -4.549 -10.758 -6.838) 13.535 22.446 ( 0.484 0.623 2.040) 2.187 22.472 ( 0.287 -0.203 0.631) 0.722 22.498 ( -0.201 -0.220 0.499) 0.581 22.523 ( -0.173 -1.052 -0.847) 1.362 23.238 ( 2.142 -0.196 3.516) 4.122 23.278 ( 3.536 -1.692 1.841) 4.331 23.431 ( -1.581 -0.281 4.154) 4.454 23.551 ( -2.635 -5.782 -1.177) 6.463 ======================= Grid point 197 (72/90) ======================= q-point: ( 0.40 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.641 ( 7.946 4.461 6.846) 11.398 2.795 ( 4.052 -0.482 -0.647) 4.131 2.825 ( -9.855 3.871 2.043) 10.784 2.909 ( -6.148 2.263 -1.292) 6.678 3.101 ( -1.752 5.833 5.619) 8.286 3.131 ( -4.965 5.001 3.011) 7.663 3.412 ( 0.750 -3.382 -2.124) 4.064 3.446 ( -3.150 -5.049 -1.991) 6.276 3.875 ( 5.483 11.203 5.487) 13.627 3.923 ( 1.346 10.896 3.479) 11.517 4.140 ( 4.959 4.837 5.332) 8.742 4.215 ( -1.744 6.300 2.434) 6.975 4.271 ( 4.647 -0.776 -0.684) 4.761 4.360 ( -0.188 -7.500 0.098) 7.503 4.444 ( -4.220 0.365 -4.170) 5.944 4.463 ( -3.867 -2.692 -4.232) 6.333 4.935 ( 2.459 5.739 3.300) 7.062 4.971 ( -1.014 7.555 2.437) 8.003 5.205 ( 7.138 -1.718 4.792) 8.767 5.310 ( -3.037 -4.000 3.066) 5.884 5.538 ( 8.253 5.490 1.149) 9.979 5.647 ( 1.593 0.010 1.315) 2.066 5.694 ( -1.789 1.350 3.439) 4.105 5.742 ( -1.706 -0.487 3.424) 3.856 5.858 ( 2.311 17.324 -2.514) 17.657 5.933 ( -6.721 18.922 -5.759) 20.890 6.465 ( 0.934 -5.946 2.941) 6.699 6.534 ( -6.000 -4.670 1.242) 7.704 6.937 ( 5.703 6.266 -2.406) 8.808 7.013 ( 1.851 6.316 -4.953) 8.237 7.044 ( 1.100 7.073 -3.280) 7.874 7.152 ( -5.655 1.442 -8.036) 9.932 8.021 ( 1.440 1.590 4.698) 5.164 8.058 ( -2.361 1.642 5.502) 6.208 8.235 ( 0.963 -1.199 4.883) 5.119 8.256 ( -1.158 0.837 3.272) 3.570 8.338 ( 1.336 0.294 -10.529) 10.618 8.371 ( -1.994 -2.476 -10.234) 10.716 8.748 ( 2.419 -9.356 -2.980) 10.113 8.790 ( -1.936 -11.391 -4.551) 12.419 8.865 ( 7.396 -2.861 -1.265) 8.030 8.949 ( 4.041 -6.695 -4.278) 8.913 9.014 ( -4.858 -4.829 -4.375) 8.127 9.072 ( -5.572 -7.018 -6.349) 10.982 10.090 ( 0.880 10.480 -2.735) 10.866 10.103 ( -0.419 11.156 -2.958) 11.549 10.376 ( 2.434 -2.081 -5.379) 6.260 10.421 ( -2.257 -2.215 -7.441) 8.085 10.805 ( 3.776 -4.239 0.123) 5.678 10.843 ( 1.849 -4.838 -1.365) 5.356 10.948 ( -2.020 -7.577 0.926) 7.896 10.990 ( -4.417 -8.553 -0.931) 9.671 12.166 ( 0.647 3.742 1.390) 4.044 12.187 ( -1.384 3.804 0.373) 4.065 12.339 ( -0.168 -4.145 -0.263) 4.156 12.352 ( -1.382 -3.948 -0.874) 4.273 13.238 ( 3.166 5.616 2.879) 7.060 13.268 ( 0.444 3.093 1.340) 3.400 13.374 ( 4.374 -1.018 -0.893) 4.578 13.436 ( -1.381 -2.734 -2.164) 3.751 13.788 ( 3.928 11.622 4.156) 12.953 13.883 ( -5.874 10.969 -0.664) 12.461 14.216 ( 0.450 -6.493 3.630) 7.452 14.261 ( -4.094 -5.505 1.440) 7.010 15.299 ( 2.001 8.799 1.677) 9.178 15.329 ( -0.919 9.687 0.312) 9.735 15.847 ( 2.094 -16.224 4.673) 17.013 15.881 ( -1.485 -15.299 2.916) 15.646 19.573 ( 3.085 14.638 2.646) 15.192 19.627 ( -2.417 14.331 0.402) 14.539 19.769 ( 2.728 11.230 -1.123) 11.611 19.829 ( -3.479 12.208 -4.000) 13.309 20.489 ( 5.767 -1.062 1.592) 6.076 20.575 ( -1.826 -1.277 -0.996) 2.440 20.841 ( 1.441 -9.213 -4.804) 10.490 20.931 ( -6.523 -10.645 -7.262) 14.443 22.458 ( 0.716 0.833 1.647) 1.980 22.470 ( -0.491 0.807 0.984) 1.364 22.503 ( 0.639 -1.067 0.341) 1.290 22.516 ( -0.606 -1.128 -0.338) 1.324 23.292 ( 3.302 0.587 3.795) 5.064 23.334 ( 0.400 0.418 2.712) 2.773 23.413 ( 1.514 -3.716 1.817) 4.405 23.483 ( -4.350 -5.292 -0.517) 6.870 ======================= Grid point 200 (73/90) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.703 ( 0.000 -7.156 10.236) 12.489 2.703 ( 0.000 7.156 10.236) 12.489 3.088 ( 0.000 -6.434 1.178) 6.541 3.088 ( 0.000 6.434 1.178) 6.541 3.160 ( 0.000 -3.253 -2.222) 3.940 3.160 ( 0.000 3.253 -2.222) 3.940 3.610 ( 0.000 -5.602 -1.244) 5.738 3.610 ( 0.000 5.602 -1.244) 5.738 3.801 ( 0.000 -1.191 3.149) 3.367 3.801 ( 0.000 1.191 3.149) 3.367 4.156 ( 0.000 -3.848 3.766) 5.385 4.156 ( 0.000 3.848 3.766) 5.385 4.315 ( 0.000 -10.026 -1.370) 10.119 4.315 ( 0.000 10.026 -1.370) 10.119 4.526 ( 0.000 -10.249 -0.967) 10.295 4.526 ( 0.000 10.249 -0.967) 10.295 4.941 ( 0.000 -4.383 -4.535) 6.307 4.941 ( 0.000 4.383 -4.535) 6.307 5.113 ( 0.000 -6.262 0.705) 6.302 5.113 ( 0.000 6.262 0.705) 6.302 5.500 ( 0.000 -0.366 7.334) 7.343 5.500 ( 0.000 0.366 7.334) 7.343 5.682 ( 0.000 -0.866 6.083) 6.144 5.682 ( 0.000 0.866 6.083) 6.144 6.242 ( 0.000 -12.942 -0.779) 12.966 6.242 ( 0.000 12.942 -0.779) 12.966 6.646 ( 0.000 -14.162 -3.265) 14.533 6.646 ( 0.000 14.162 -3.265) 14.533 6.751 ( 0.000 -0.413 -4.425) 4.444 6.751 ( 0.000 0.413 -4.425) 4.444 7.300 ( 0.000 -1.318 -3.274) 3.529 7.300 ( 0.000 1.318 -3.274) 3.529 8.073 ( 0.000 -5.426 4.338) 6.947 8.073 ( 0.000 5.426 4.338) 6.947 8.194 ( 0.000 -6.186 1.094) 6.282 8.194 ( 0.000 6.186 1.094) 6.282 8.445 ( 0.000 -2.129 -5.712) 6.096 8.445 ( 0.000 2.129 -5.712) 6.096 8.602 ( 0.000 -4.131 -6.173) 7.428 8.602 ( 0.000 4.131 -6.173) 7.428 8.678 ( 0.000 -0.646 -6.644) 6.675 8.678 ( 0.000 0.646 -6.644) 6.675 9.137 ( 0.000 -1.144 -1.219) 1.672 9.137 ( 0.000 1.144 -1.219) 1.672 10.224 ( 0.000 -4.490 -2.750) 5.265 10.224 ( 0.000 4.490 -2.750) 5.265 10.347 ( 0.000 -7.926 -5.789) 9.815 10.347 ( 0.000 7.926 -5.789) 9.815 10.703 ( 0.000 -1.575 0.419) 1.630 10.703 ( 0.000 1.575 0.419) 1.630 10.976 ( 0.000 -1.748 -0.932) 1.981 10.976 ( 0.000 1.748 -0.932) 1.981 12.235 ( 0.000 -1.833 0.592) 1.926 12.235 ( 0.000 1.833 0.592) 1.926 12.340 ( 0.000 -0.309 -0.475) 0.567 12.340 ( 0.000 0.309 -0.475) 0.567 13.187 ( 0.000 -0.569 -1.437) 1.545 13.187 ( 0.000 0.569 -1.437) 1.545 13.324 ( 0.000 -3.518 2.926) 4.575 13.324 ( 0.000 3.518 2.926) 4.575 14.028 ( 0.000 -12.032 6.559) 13.704 14.028 ( 0.000 12.032 6.559) 13.704 14.262 ( 0.000 -7.645 -3.912) 8.588 14.262 ( 0.000 7.645 -3.912) 8.588 15.379 ( 0.000 -5.019 4.601) 6.809 15.379 ( 0.000 5.019 4.601) 6.809 15.675 ( 0.000 -6.410 1.165) 6.515 15.675 ( 0.000 6.410 1.165) 6.515 19.726 ( 0.000 -5.379 2.855) 6.090 19.726 ( 0.000 5.379 2.855) 6.090 19.945 ( 0.000 -7.777 -1.713) 7.964 19.945 ( 0.000 7.777 -1.713) 7.964 20.438 ( 0.000 -5.867 -4.713) 7.526 20.438 ( 0.000 5.867 -4.713) 7.526 20.900 ( 0.000 -4.896 -3.681) 6.126 20.900 ( 0.000 4.896 -3.681) 6.126 22.454 ( 0.000 -0.663 1.683) 1.809 22.454 ( 0.000 0.663 1.683) 1.809 22.508 ( 0.000 -0.511 -0.476) 0.698 22.508 ( 0.000 0.511 -0.476) 0.698 23.218 ( 0.000 -0.582 2.811) 2.870 23.218 ( 0.000 0.582 2.811) 2.870 23.481 ( 0.000 -3.139 1.912) 3.676 23.481 ( 0.000 3.139 1.912) 3.676 ======================= Grid point 202 (74/90) ======================= q-point: ( 0.20 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.688 ( -0.400 -6.118 7.248) 9.493 2.688 ( -0.400 6.118 7.248) 9.493 3.048 ( -4.883 -3.518 -0.053) 6.019 3.048 ( -4.883 3.518 -0.053) 6.019 3.180 ( 1.994 -0.768 -0.685) 2.244 3.180 ( 1.994 0.768 -0.685) 2.244 3.481 ( -10.697 -3.807 1.059) 11.403 3.481 ( -10.697 3.807 1.059) 11.403 3.893 ( 8.451 -2.331 2.543) 9.128 3.893 ( 8.451 2.331 2.543) 9.128 4.178 ( 1.634 -5.762 3.987) 7.195 4.178 ( 1.634 5.762 3.987) 7.195 4.316 ( 0.081 -7.561 -1.851) 7.785 4.316 ( 0.081 7.561 -1.851) 7.785 4.491 ( -3.852 -7.967 -1.263) 8.939 4.491 ( -3.852 7.967 -1.263) 8.939 4.997 ( 5.004 -6.149 -0.324) 7.934 4.997 ( 5.004 6.149 -0.324) 7.934 5.150 ( 2.798 -8.508 -0.452) 8.967 5.150 ( 2.798 8.508 -0.452) 8.967 5.514 ( 2.529 -3.092 6.625) 7.736 5.514 ( 2.529 3.092 6.625) 7.736 5.704 ( 1.808 -1.328 4.925) 5.412 5.704 ( 1.808 1.328 4.925) 5.412 6.232 ( -0.873 -13.109 -0.940) 13.171 6.232 ( -0.873 13.109 -0.940) 13.171 6.502 ( -10.204 -11.983 -3.185) 16.058 6.502 ( -10.204 11.983 -3.185) 16.058 6.876 ( 8.453 -3.321 -4.381) 10.084 6.876 ( 8.453 3.321 -4.381) 10.084 7.269 ( -3.416 -1.691 -3.480) 5.161 7.269 ( -3.416 1.691 -3.480) 5.161 8.076 ( 0.490 -5.748 4.216) 7.145 8.076 ( 0.490 5.748 4.216) 7.145 8.174 ( -1.901 -5.946 1.763) 6.486 8.174 ( -1.901 5.946 1.763) 6.486 8.454 ( 1.216 -2.511 -7.253) 7.771 8.454 ( 1.216 2.511 -7.253) 7.771 8.599 ( -1.289 -4.425 -7.102) 8.466 8.599 ( -1.289 4.425 -7.102) 8.466 8.724 ( 5.295 -2.216 -4.460) 7.269 8.724 ( 5.295 2.216 -4.460) 7.269 9.099 ( -4.063 -1.144 -1.273) 4.409 9.099 ( -4.063 1.144 -1.273) 4.409 10.239 ( 1.542 -4.905 -3.300) 6.110 10.239 ( 1.542 4.905 -3.300) 6.110 10.340 ( -0.823 -7.684 -5.746) 9.631 10.340 ( -0.823 7.684 -5.746) 9.631 10.724 ( 2.298 -1.729 0.561) 2.930 10.724 ( 2.298 1.729 0.561) 2.930 10.945 ( -3.219 -1.764 -0.549) 3.712 10.945 ( -3.219 1.764 -0.549) 3.712 12.231 ( -0.143 -2.079 0.568) 2.160 12.231 ( -0.143 2.079 0.568) 2.160 12.322 ( -1.848 -1.322 -0.550) 2.338 12.322 ( -1.848 1.322 -0.550) 2.338 13.233 ( 4.420 -0.770 -1.310) 4.674 13.233 ( 4.420 0.770 -1.310) 4.674 13.341 ( 1.493 -3.950 2.295) 4.807 13.341 ( 1.493 3.950 2.295) 4.807 14.021 ( -0.426 -11.726 6.065) 13.209 14.021 ( -0.426 11.726 6.065) 13.209 14.210 ( -5.065 -8.182 -2.435) 9.926 14.210 ( -5.065 8.182 -2.435) 9.926 15.421 ( 4.149 -5.694 3.934) 8.069 15.421 ( 4.149 5.694 3.934) 8.069 15.656 ( -2.053 -6.521 1.327) 6.964 15.656 ( -2.053 6.521 1.327) 6.964 19.749 ( 2.341 -5.472 2.582) 6.488 19.749 ( 2.341 5.472 2.582) 6.488 19.925 ( -2.062 -7.316 -1.101) 7.681 19.925 ( -2.062 7.316 -1.101) 7.681 20.476 ( 3.948 -6.081 -4.777) 8.683 20.476 ( 3.948 6.081 -4.777) 8.683 20.848 ( -5.313 -5.335 -3.844) 8.454 20.848 ( -5.313 5.335 -3.844) 8.454 22.461 ( 0.687 -0.731 1.495) 1.800 22.461 ( 0.687 0.731 1.495) 1.800 22.504 ( -0.390 -0.690 -0.234) 0.827 22.504 ( -0.390 0.690 -0.234) 0.827 23.247 ( 3.003 -1.097 2.626) 4.137 23.247 ( 3.003 1.097 2.626) 4.137 23.459 ( -2.294 -2.979 1.920) 4.222 23.459 ( -2.294 2.979 1.920) 4.222 ======================= Grid point 204 (75/90) ======================= q-point: ( 0.40 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.735 ( 6.106 -4.264 2.197) 7.765 2.735 ( 6.106 4.264 2.197) 7.765 2.900 ( -10.129 -2.806 -1.123) 10.570 2.900 ( -10.129 2.806 -1.123) 10.570 3.227 ( 3.123 -1.699 1.774) 3.973 3.227 ( 3.123 1.699 1.774) 3.973 3.311 ( -6.527 -0.979 3.169) 7.321 3.311 ( -6.527 0.979 3.169) 7.321 4.072 ( 9.416 -4.603 3.139) 10.941 4.072 ( 9.416 4.603 3.139) 10.941 4.185 ( -2.027 -6.729 4.084) 8.128 4.185 ( -2.027 6.729 4.084) 8.128 4.325 ( 1.370 -4.960 -2.384) 5.671 4.325 ( 1.370 4.960 -2.384) 5.671 4.392 ( -5.736 -5.097 -2.334) 8.021 4.392 ( -5.736 5.097 -2.334) 8.021 5.094 ( 4.930 -7.933 3.959) 10.145 5.094 ( 4.930 7.933 3.959) 10.145 5.163 ( -1.888 -9.383 2.616) 9.922 5.163 ( -1.888 9.383 2.616) 9.922 5.615 ( 7.265 -2.670 3.122) 8.346 5.615 ( 7.265 2.670 3.122) 8.346 5.713 ( -2.031 -1.524 3.080) 3.992 5.713 ( -2.031 1.524 3.080) 3.992 6.230 ( 1.603 -13.891 -1.623) 14.077 6.230 ( 1.603 13.891 -1.623) 14.077 6.321 ( -8.196 -13.717 -2.751) 16.215 6.321 ( -8.196 13.717 -2.751) 16.215 7.033 ( 8.292 -2.599 -4.254) 9.675 7.033 ( 8.292 2.599 -4.254) 9.675 7.174 ( -6.590 -2.105 -3.888) 7.936 7.174 ( -6.590 2.105 -3.888) 7.936 8.095 ( 1.594 -5.976 3.692) 7.203 8.095 ( 1.594 5.976 3.692) 7.203 8.133 ( -2.297 -5.865 2.815) 6.899 8.133 ( -2.297 5.865 2.815) 6.899 8.494 ( 2.962 -2.803 -8.312) 9.259 8.494 ( 2.962 2.803 -8.312) 9.259 8.554 ( -3.179 -3.257 -8.029) 9.230 8.554 ( -3.179 3.257 -8.029) 9.230 8.853 ( 7.788 -1.756 -2.400) 8.336 8.853 ( 7.788 1.756 -2.400) 8.336 8.994 ( -6.949 -1.323 -1.552) 7.242 8.994 ( -6.949 1.323 -1.552) 7.242 10.276 ( 2.263 -5.908 -4.481) 7.752 10.276 ( 2.263 5.908 -4.481) 7.752 10.315 ( -1.819 -6.969 -5.408) 9.006 10.315 ( -1.819 6.969 -5.408) 9.006 10.785 ( 4.053 -1.953 0.653) 4.546 10.785 ( 4.053 1.953 0.653) 4.546 10.868 ( -4.637 -1.916 0.219) 5.022 10.868 ( -4.637 1.916 0.219) 5.022 12.241 ( 1.342 -2.277 0.219) 2.652 12.241 ( 1.342 2.277 0.219) 2.652 12.279 ( -2.481 -2.058 -0.319) 3.239 12.279 ( -2.481 2.058 -0.319) 3.239 13.320 ( 4.002 -1.896 -0.725) 4.487 13.320 ( 4.002 1.896 -0.725) 4.487 13.360 ( -0.153 -3.616 0.738) 3.694 13.360 ( -0.153 3.616 0.738) 3.694 14.030 ( 1.974 -10.636 4.261) 11.626 14.030 ( 1.974 10.636 4.261) 11.626 14.103 ( -5.536 -9.236 0.930) 10.808 14.103 ( -5.536 9.236 0.930) 10.808 15.512 ( 5.159 -6.482 2.750) 8.729 15.512 ( 5.159 6.482 2.750) 8.729 15.599 ( -3.976 -6.674 1.841) 7.983 15.599 ( -3.976 6.674 1.841) 7.983 19.806 ( 3.589 -5.789 1.699) 7.020 19.806 ( 3.589 5.789 1.699) 7.020 19.873 ( -3.396 -6.439 0.296) 7.285 19.873 ( -3.396 6.439 0.296) 7.285 20.579 ( 6.934 -6.296 -4.689) 10.474 20.579 ( 6.934 6.296 -4.689) 10.474 20.720 ( -7.782 -6.031 -4.275) 10.733 20.720 ( -7.782 6.031 -4.275) 10.733 22.477 ( 0.957 -0.845 0.999) 1.620 22.477 ( 0.957 0.845 0.999) 1.620 22.493 ( -0.772 -0.860 0.349) 1.208 22.493 ( -0.772 0.860 0.349) 1.208 23.319 ( 4.391 -1.866 2.264) 5.281 23.319 ( 4.391 1.866 2.264) 5.281 23.399 ( -3.969 -2.529 2.007) 5.116 23.399 ( -3.969 2.529 2.007) 5.116 ======================= Grid point 225 (76/90) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.444 ( 0.000 0.000 -12.268) 12.268 2.444 ( 0.000 0.000 12.268) 12.268 2.663 ( 0.000 0.000 -15.115) 15.115 2.663 ( 0.000 0.000 15.115) 15.115 2.819 ( 0.000 0.000 -5.105) 5.105 2.819 ( 0.000 0.000 5.105) 5.105 3.373 ( 0.000 0.000 -9.597) 9.597 3.373 ( 0.000 0.000 9.597) 9.597 3.552 ( 0.000 0.000 -9.089) 9.089 3.552 ( 0.000 0.000 9.089) 9.089 3.690 ( 0.000 0.000 -3.123) 3.123 3.690 ( 0.000 0.000 3.123) 3.123 4.317 ( 0.000 0.000 -7.043) 7.043 4.317 ( 0.000 0.000 7.043) 7.043 4.438 ( 0.000 0.000 -0.265) 0.265 4.438 ( 0.000 0.000 0.265) 0.265 4.793 ( 0.000 0.000 -3.803) 3.803 4.793 ( 0.000 0.000 3.803) 3.803 5.072 ( 0.000 0.000 -1.573) 1.573 5.072 ( 0.000 0.000 1.573) 1.573 5.233 ( 0.000 0.000 -3.966) 3.966 5.233 ( 0.000 0.000 3.966) 3.966 5.788 ( 0.000 0.000 -1.293) 1.293 5.788 ( 0.000 0.000 1.293) 1.293 5.935 ( 0.000 0.000 -4.703) 4.703 5.935 ( 0.000 0.000 4.703) 4.703 6.100 ( 0.000 0.000 -8.480) 8.480 6.100 ( 0.000 0.000 8.480) 8.480 6.701 ( 0.000 0.000 -6.340) 6.340 6.701 ( 0.000 0.000 6.340) 6.340 7.220 ( 0.000 0.000 -11.322) 11.322 7.220 ( 0.000 0.000 11.322) 11.322 7.809 ( 0.000 0.000 -3.110) 3.110 7.809 ( 0.000 0.000 3.110) 3.110 8.391 ( 0.000 0.000 -5.452) 5.452 8.391 ( 0.000 0.000 5.452) 5.452 8.489 ( 0.000 0.000 -13.698) 13.698 8.489 ( 0.000 0.000 13.698) 13.698 8.831 ( 0.000 0.000 -1.349) 1.349 8.831 ( 0.000 0.000 1.349) 1.349 9.243 ( 0.000 0.000 -2.919) 2.919 9.243 ( 0.000 0.000 2.919) 2.919 9.545 ( 0.000 0.000 -6.471) 6.471 9.545 ( 0.000 0.000 6.471) 6.471 9.634 ( 0.000 0.000 -8.572) 8.572 9.634 ( 0.000 0.000 8.572) 8.572 10.215 ( 0.000 0.000 -6.332) 6.332 10.215 ( 0.000 0.000 6.332) 6.332 10.924 ( 0.000 0.000 -0.993) 0.993 10.924 ( 0.000 0.000 0.993) 0.993 11.539 ( 0.000 0.000 -2.044) 2.044 11.539 ( 0.000 0.000 2.044) 2.044 12.030 ( 0.000 0.000 -0.226) 0.226 12.030 ( 0.000 0.000 0.226) 0.226 12.589 ( 0.000 0.000 -4.592) 4.592 12.589 ( 0.000 0.000 4.592) 4.592 13.001 ( 0.000 0.000 -12.501) 12.501 13.001 ( 0.000 0.000 12.501) 12.501 13.236 ( 0.000 0.000 -10.198) 10.198 13.236 ( 0.000 0.000 10.198) 10.198 13.474 ( 0.000 0.000 -0.774) 0.774 13.474 ( 0.000 0.000 0.774) 0.774 14.333 ( 0.000 0.000 -4.085) 4.085 14.333 ( 0.000 0.000 4.085) 4.085 15.195 ( 0.000 0.000 -0.768) 0.768 15.195 ( 0.000 0.000 0.768) 0.768 16.650 ( 0.000 0.000 -7.410) 7.410 16.650 ( 0.000 0.000 7.410) 7.410 18.877 ( 0.000 0.000 -5.384) 5.384 18.877 ( 0.000 0.000 5.384) 5.384 18.958 ( 0.000 0.000 -5.750) 5.750 18.958 ( 0.000 0.000 5.750) 5.750 20.619 ( 0.000 0.000 -3.507) 3.507 20.619 ( 0.000 0.000 3.507) 3.507 21.280 ( 0.000 0.000 -8.594) 8.594 21.280 ( 0.000 0.000 8.594) 8.594 22.459 ( 0.000 0.000 -1.411) 1.411 22.459 ( 0.000 0.000 1.411) 1.411 22.540 ( 0.000 0.000 -1.837) 1.837 22.540 ( 0.000 0.000 1.837) 1.837 23.327 ( 0.000 0.000 -0.903) 0.903 23.327 ( 0.000 0.000 0.903) 0.903 23.697 ( 0.000 0.000 -10.331) 10.331 23.697 ( 0.000 0.000 10.331) 10.331 ======================= Grid point 227 (77/90) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.470 ( 2.545 0.000 -10.931) 11.223 2.470 ( 2.545 0.000 10.931) 11.223 2.696 ( 3.343 0.000 -12.843) 13.271 2.696 ( 3.343 0.000 12.843) 13.271 2.789 ( -2.921 0.000 -5.094) 5.871 2.789 ( -2.921 0.000 5.094) 5.871 3.187 ( -13.063 0.000 -5.113) 14.028 3.187 ( -13.063 0.000 5.113) 14.028 3.557 ( 0.404 0.000 -7.238) 7.249 3.557 ( 0.404 0.000 7.238) 7.249 3.883 ( 13.633 0.000 -4.127) 14.244 3.883 ( 13.633 0.000 4.127) 14.244 4.343 ( 2.455 0.000 -6.034) 6.515 4.343 ( 2.455 0.000 6.034) 6.515 4.433 ( -0.409 0.000 -3.481) 3.505 4.433 ( -0.409 0.000 3.481) 3.505 4.782 ( -1.065 0.000 -3.578) 3.733 4.782 ( -1.065 0.000 3.578) 3.733 5.097 ( 2.497 0.000 -1.166) 2.756 5.097 ( 2.497 0.000 1.166) 2.756 5.220 ( -1.181 0.000 -3.144) 3.358 5.220 ( -1.181 0.000 3.144) 3.358 5.789 ( 0.022 0.000 -1.043) 1.043 5.789 ( 0.022 0.000 1.043) 1.043 5.873 ( -7.139 0.000 -5.650) 9.104 5.873 ( -7.139 0.000 5.650) 9.104 6.027 ( -4.900 0.000 -8.953) 10.206 6.027 ( -4.900 0.000 8.953) 10.206 6.789 ( 7.897 0.000 -8.489) 11.594 6.789 ( 7.897 0.000 8.489) 11.594 7.188 ( -3.419 0.000 -11.375) 11.877 7.188 ( -3.419 0.000 11.375) 11.877 7.813 ( 0.419 0.000 -2.582) 2.616 7.813 ( 0.419 0.000 2.582) 2.616 8.396 ( 0.475 0.000 -5.272) 5.294 8.396 ( 0.475 0.000 5.272) 5.294 8.483 ( -0.613 0.000 -11.974) 11.990 8.483 ( -0.613 0.000 11.974) 11.990 8.881 ( 4.824 0.000 -2.353) 5.368 8.881 ( 4.824 0.000 2.353) 5.368 9.228 ( -1.677 0.000 -3.038) 3.471 9.228 ( -1.677 0.000 3.038) 3.471 9.552 ( 0.731 0.000 -6.616) 6.656 9.552 ( 0.731 0.000 6.616) 6.656 9.626 ( -0.827 0.000 -8.280) 8.322 9.626 ( -0.827 0.000 8.280) 8.322 10.213 ( -0.231 0.000 -4.905) 4.910 10.213 ( -0.231 0.000 4.905) 4.910 10.974 ( 5.145 0.000 -0.830) 5.212 10.974 ( 5.145 0.000 0.830) 5.212 11.484 ( -5.594 0.000 -2.309) 6.052 11.484 ( -5.594 0.000 2.309) 6.052 12.030 ( -0.046 0.000 -0.186) 0.191 12.030 ( -0.046 0.000 0.186) 0.191 12.574 ( -1.320 0.000 -3.701) 3.930 12.574 ( -1.320 0.000 3.701) 3.930 13.000 ( -0.110 0.000 -10.006) 10.007 13.000 ( -0.110 0.000 10.006) 10.007 13.238 ( 0.123 0.000 -8.147) 8.148 13.238 ( 0.123 0.000 8.147) 8.148 13.521 ( 4.326 0.000 -1.460) 4.566 13.521 ( 4.326 0.000 1.460) 4.566 14.311 ( -2.107 0.000 -3.333) 3.943 14.311 ( -2.107 0.000 3.333) 3.943 15.178 ( -1.585 0.000 -0.574) 1.686 15.178 ( -1.585 0.000 0.574) 1.686 16.654 ( 0.382 0.000 -5.956) 5.968 16.654 ( 0.382 0.000 5.956) 5.968 18.878 ( 0.031 0.000 -4.388) 4.388 18.878 ( 0.031 0.000 4.388) 4.388 18.958 ( -0.022 0.000 -4.684) 4.684 18.958 ( -0.022 0.000 4.684) 4.684 20.672 ( 5.328 0.000 -4.439) 6.935 20.672 ( 5.328 0.000 4.439) 6.935 21.223 ( -5.815 0.000 -8.469) 10.273 21.223 ( -5.815 0.000 8.469) 10.273 22.462 ( 0.310 0.000 -1.355) 1.390 22.462 ( 0.310 0.000 1.355) 1.390 22.536 ( -0.369 0.000 -1.629) 1.670 22.536 ( -0.369 0.000 1.629) 1.670 23.353 ( 2.486 0.000 -2.163) 3.295 23.353 ( 2.486 0.000 2.163) 3.295 23.679 ( -1.832 0.000 -9.056) 9.239 23.679 ( -1.832 0.000 9.056) 9.240 ======================= Grid point 229 (78/90) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.523 ( 2.417 0.000 -5.685) 6.178 2.523 ( 2.417 0.000 5.685) 6.178 2.729 ( -2.626 0.000 -3.447) 4.333 2.729 ( -2.626 0.000 3.447) 4.333 2.771 ( 3.904 0.000 -6.543) 7.620 2.771 ( 3.904 0.000 6.543) 7.620 2.986 ( -7.348 0.000 -3.243) 8.032 2.986 ( -7.348 0.000 3.243) 8.032 3.563 ( 0.224 0.000 -2.700) 2.709 3.563 ( 0.224 0.000 2.700) 2.709 4.079 ( 5.873 0.000 -4.185) 7.211 4.079 ( 5.873 0.000 4.185) 7.211 4.389 ( 1.764 0.000 -2.635) 3.171 4.389 ( 1.764 0.000 2.635) 3.171 4.431 ( 0.260 0.000 -3.801) 3.810 4.431 ( 0.260 0.000 3.801) 3.810 4.760 ( -0.902 0.000 -1.807) 2.020 4.760 ( -0.902 0.000 1.807) 2.020 5.144 ( 1.814 0.000 -1.024) 2.083 5.144 ( 1.814 0.000 1.024) 2.083 5.200 ( -0.731 0.000 -1.154) 1.366 5.200 ( -0.731 0.000 1.154) 1.366 5.725 ( -5.840 0.000 -2.782) 6.469 5.725 ( -5.840 0.000 2.782) 6.469 5.789 ( 0.013 0.000 -0.397) 0.397 5.789 ( 0.013 0.000 0.397) 0.397 5.967 ( -1.637 0.000 -3.514) 3.876 5.967 ( -1.637 0.000 3.514) 3.876 6.949 ( 8.507 0.000 -10.354) 13.400 6.949 ( 8.507 0.000 10.354) 13.400 7.095 ( -6.452 0.000 -11.142) 12.876 7.095 ( -6.452 0.000 11.142) 12.876 7.821 ( 0.258 0.000 -1.028) 1.060 7.821 ( 0.258 0.000 1.028) 1.060 8.405 ( 0.427 0.000 -3.043) 3.073 8.405 ( 0.427 0.000 3.043) 3.073 8.471 ( -0.512 0.000 -5.624) 5.648 8.471 ( -0.512 0.000 5.624) 5.648 8.978 ( 4.207 0.000 -2.094) 4.699 8.978 ( 4.207 0.000 2.094) 4.699 9.185 ( -2.333 0.000 -2.186) 3.197 9.185 ( -2.333 0.000 2.186) 3.197 9.570 ( 0.919 0.000 -5.391) 5.469 9.570 ( 0.919 0.000 5.391) 5.469 9.607 ( -0.978 0.000 -6.005) 6.084 9.607 ( -0.978 0.000 6.005) 6.084 10.209 ( -0.137 0.000 -1.745) 1.750 10.209 ( -0.137 0.000 1.745) 1.750 11.094 ( 6.355 0.000 -1.272) 6.482 11.094 ( 6.355 0.000 1.272) 6.482 11.357 ( -6.631 0.000 -1.913) 6.902 11.357 ( -6.631 0.000 1.913) 6.902 12.029 ( -0.029 0.000 -0.073) 0.078 12.029 ( -0.029 0.000 0.073) 0.078 12.553 ( -0.672 0.000 -1.389) 1.543 12.553 ( -0.672 0.000 1.389) 1.543 12.998 ( -0.067 0.000 -3.759) 3.759 12.998 ( -0.067 0.000 3.759) 3.759 13.240 ( 0.075 0.000 -3.050) 3.051 13.240 ( 0.075 0.000 3.050) 3.051 13.597 ( 2.761 0.000 -0.793) 2.873 13.597 ( 2.761 0.000 0.793) 2.873 14.272 ( -1.497 0.000 -1.294) 1.979 14.272 ( -1.497 0.000 1.294) 1.979 15.150 ( -0.998 0.000 -0.189) 1.016 15.150 ( -0.998 0.000 0.189) 1.016 16.660 ( 0.232 0.000 -2.252) 2.263 16.660 ( 0.232 0.000 2.252) 2.264 18.878 ( 0.020 0.000 -1.696) 1.697 18.878 ( 0.020 0.000 1.696) 1.697 18.957 ( -0.014 0.000 -1.809) 1.809 18.957 ( -0.014 0.000 1.809) 1.809 20.792 ( 6.019 0.000 -4.279) 7.385 20.792 ( 6.019 0.000 4.279) 7.385 21.094 ( -6.312 0.000 -5.798) 8.570 21.094 ( -6.312 0.000 5.798) 8.570 22.468 ( 0.216 0.000 -0.675) 0.709 22.468 ( 0.216 0.000 0.675) 0.709 22.529 ( -0.235 0.000 -0.744) 0.780 22.529 ( -0.235 0.000 0.744) 0.780 23.400 ( 1.917 0.000 -1.810) 2.637 23.400 ( 1.917 0.000 1.810) 2.637 23.642 ( -1.540 0.000 -4.254) 4.524 23.642 ( -1.540 0.000 4.254) 4.524 ======================= Grid point 235 (79/90) ======================= q-point: ( 0.00 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.567 ( 0.000 9.441 -7.288) 11.927 2.567 ( 0.000 9.441 7.288) 11.927 2.690 ( 0.000 4.425 -10.314) 11.223 2.690 ( 0.000 4.425 10.314) 11.223 2.988 ( 0.000 13.473 -4.140) 14.095 2.988 ( 0.000 13.473 4.140) 14.095 3.363 ( 0.000 -0.368 -9.461) 9.468 3.363 ( 0.000 -0.368 9.461) 9.468 3.517 ( 0.000 -1.506 -6.089) 6.272 3.517 ( 0.000 -1.506 6.089) 6.273 3.832 ( 0.000 11.685 -5.214) 12.796 3.832 ( 0.000 11.685 5.214) 12.796 4.357 ( 0.000 -2.249 -3.986) 4.577 4.357 ( 0.000 -2.249 3.986) 4.577 4.433 ( 0.000 3.521 -2.876) 4.546 4.433 ( 0.000 3.521 2.876) 4.546 4.775 ( 0.000 1.493 -3.751) 4.037 4.775 ( 0.000 1.493 3.751) 4.037 5.141 ( 0.000 4.139 -2.001) 4.597 5.141 ( 0.000 4.139 2.001) 4.597 5.199 ( 0.000 -1.669 -2.956) 3.394 5.199 ( 0.000 -1.669 2.956) 3.394 5.728 ( 0.000 -3.081 -0.477) 3.117 5.728 ( 0.000 -3.081 0.477) 3.117 6.039 ( 0.000 -0.677 -1.894) 2.012 6.039 ( 0.000 -0.677 1.894) 2.012 6.168 ( 0.000 13.975 -3.677) 14.451 6.168 ( 0.000 13.975 3.677) 14.451 6.690 ( 0.000 -0.754 -5.390) 5.442 6.690 ( 0.000 -0.754 5.390) 5.442 7.171 ( 0.000 -4.357 -11.225) 12.041 7.171 ( 0.000 -4.357 11.225) 12.041 7.870 ( 0.000 5.465 -2.751) 6.119 7.870 ( 0.000 5.465 2.751) 6.119 8.362 ( 0.000 -2.634 -4.689) 5.378 8.362 ( 0.000 -2.634 4.689) 5.378 8.473 ( 0.000 -1.675 -12.516) 12.628 8.473 ( 0.000 -1.675 12.516) 12.628 8.801 ( 0.000 -2.846 -1.194) 3.086 8.801 ( 0.000 -2.846 1.194) 3.086 9.215 ( 0.000 -2.182 -1.306) 2.543 9.215 ( 0.000 -2.182 1.306) 2.543 9.436 ( 0.000 -12.395 -0.812) 12.421 9.436 ( 0.000 -12.395 0.812) 12.421 9.680 ( 0.000 6.889 -2.143) 7.214 9.680 ( 0.000 6.889 2.143) 7.214 10.263 ( 0.000 3.419 -5.666) 6.617 10.263 ( 0.000 3.419 5.666) 6.617 10.888 ( 0.000 -3.309 -0.866) 3.420 10.888 ( 0.000 -3.309 0.866) 3.420 11.458 ( 0.000 -7.249 -1.734) 7.454 11.458 ( 0.000 -7.249 1.734) 7.454 12.069 ( 0.000 3.148 -0.409) 3.174 12.069 ( 0.000 3.148 0.409) 3.174 12.534 ( 0.000 -4.113 -3.649) 5.499 12.534 ( 0.000 -4.113 3.649) 5.499 13.106 ( 0.000 6.806 -12.323) 14.077 13.106 ( 0.000 6.806 12.323) 14.077 13.234 ( 0.000 1.623 -6.022) 6.237 13.234 ( 0.000 1.623 6.022) 6.237 13.500 ( 0.000 2.593 -1.987) 3.267 13.500 ( 0.000 2.593 1.987) 3.267 14.358 ( 0.000 2.088 -3.317) 3.919 14.358 ( 0.000 2.088 3.317) 3.919 15.188 ( 0.000 -0.404 -0.706) 0.813 15.188 ( 0.000 -0.404 0.706) 0.813 16.520 ( 0.000 -11.613 -4.657) 12.512 16.520 ( 0.000 -11.613 4.657) 12.512 19.013 ( 0.000 11.242 -5.048) 12.323 19.013 ( 0.000 11.242 5.048) 12.323 19.081 ( 0.000 12.326 -3.176) 12.729 19.081 ( 0.000 12.326 3.176) 12.729 20.595 ( 0.000 -2.370 -3.492) 4.221 20.595 ( 0.000 -2.370 3.492) 4.221 21.244 ( 0.000 -3.504 -8.112) 8.836 21.244 ( 0.000 -3.504 8.112) 8.836 22.460 ( 0.000 0.139 -1.315) 1.322 22.460 ( 0.000 0.139 1.315) 1.322 22.535 ( 0.000 -0.465 -1.642) 1.707 22.535 ( 0.000 -0.465 1.642) 1.707 23.315 ( 0.000 -1.084 -0.942) 1.436 23.315 ( 0.000 -1.084 0.942) 1.436 23.666 ( 0.000 -2.809 -9.266) 9.682 23.666 ( 0.000 -2.809 9.266) 9.682 ======================= Grid point 237 (80/90) ======================= q-point: ( 0.20 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.582 ( 1.705 8.553 -6.449) 10.846 2.582 ( 1.705 8.553 6.449) 10.846 2.714 ( 2.351 3.467 -8.975) 9.905 2.714 ( 2.351 3.467 8.975) 9.905 2.957 ( -2.843 13.085 -3.668) 13.883 2.957 ( -2.843 13.085 3.668) 13.883 3.191 ( -12.019 1.534 -5.549) 13.327 3.191 ( -12.019 1.534 5.549) 13.327 3.599 ( 3.830 2.676 -3.937) 6.110 3.599 ( 3.830 2.676 3.937) 6.110 3.939 ( 9.341 6.330 -3.294) 11.755 3.939 ( 9.341 6.330 3.294) 11.755 4.354 ( -0.226 -3.427 -4.447) 5.619 4.354 ( -0.226 -3.427 4.447) 5.619 4.462 ( 3.079 4.959 -2.955) 6.542 4.462 ( 3.079 4.959 2.955) 6.542 4.753 ( -2.488 0.729 -4.734) 5.397 4.753 ( -2.488 0.729 4.734) 5.397 5.155 ( 1.264 1.562 -2.098) 2.905 5.155 ( 1.264 1.562 2.098) 2.905 5.208 ( 1.132 2.027 -2.198) 3.197 5.208 ( 1.132 2.027 2.198) 3.197 5.722 ( -0.529 -3.122 -0.493) 3.205 5.722 ( -0.529 -3.122 0.493) 3.205 5.943 ( -8.753 0.622 -2.570) 9.144 5.943 ( -8.753 0.622 2.570) 9.144 6.156 ( -1.101 14.328 -3.088) 14.698 6.156 ( -1.101 14.328 3.088) 14.698 6.768 ( 7.186 -1.663 -7.589) 10.583 6.768 ( 7.186 -1.663 7.589) 10.583 7.142 ( -3.159 -4.088 -11.133) 12.274 7.142 ( -3.159 -4.088 11.133) 12.274 7.874 ( 0.370 5.403 -2.334) 5.897 7.874 ( 0.370 5.403 2.334) 5.897 8.361 ( -0.112 -3.187 -3.911) 5.047 8.361 ( -0.112 -3.187 3.911) 5.047 8.465 ( -0.773 -1.854 -10.331) 10.524 8.465 ( -0.773 -1.854 10.331) 10.524 8.854 ( 5.243 -2.523 -2.181) 6.214 8.854 ( 5.243 -2.523 2.181) 6.214 9.193 ( -2.388 -2.632 -1.892) 4.026 9.193 ( -2.388 -2.632 1.892) 4.026 9.440 ( 0.410 -12.689 -0.624) 12.710 9.440 ( 0.410 -12.689 0.624) 12.710 9.677 ( -0.252 7.287 -1.764) 7.501 9.677 ( -0.252 7.287 1.764) 7.501 10.259 ( -0.276 3.381 -4.350) 5.517 10.259 ( -0.276 3.381 4.350) 5.517 10.935 ( 4.857 -3.558 -0.901) 6.088 10.935 ( 4.857 -3.558 0.901) 6.088 11.409 ( -5.034 -6.794 -2.109) 8.715 11.409 ( -5.034 -6.794 2.109) 8.715 12.065 ( -0.351 2.905 -0.321) 2.944 12.065 ( -0.351 2.905 0.321) 2.944 12.522 ( -1.105 -3.966 -2.921) 5.048 12.522 ( -1.105 -3.966 2.921) 5.048 13.109 ( 0.326 7.802 -10.202) 12.847 13.109 ( 0.326 7.802 10.202) 12.847 13.238 ( 0.192 1.293 -5.591) 5.741 13.238 ( 0.192 1.293 5.591) 5.741 13.537 ( 3.530 1.715 -2.136) 4.468 13.537 ( 3.530 1.715 2.136) 4.468 14.337 ( -2.067 2.102 -2.696) 3.995 14.337 ( -2.067 2.102 2.696) 3.995 15.173 ( -1.395 -0.188 -0.526) 1.503 15.173 ( -1.395 -0.188 0.526) 1.503 16.526 ( 0.545 -11.477 -3.757) 12.089 16.526 ( 0.545 -11.477 3.757) 12.089 19.019 ( 0.595 11.675 -4.914) 12.681 19.019 ( 0.595 11.675 4.914) 12.681 19.074 ( -0.613 11.886 -3.473) 12.398 19.074 ( -0.613 11.886 3.473) 12.398 20.644 ( 4.996 -2.665 -4.329) 7.128 20.644 ( 4.996 -2.665 4.329) 7.128 21.188 ( -5.596 -3.325 -7.977) 10.296 21.188 ( -5.596 -3.325 7.977) 10.296 22.463 ( 0.304 0.136 -1.246) 1.289 22.463 ( 0.304 0.136 1.246) 1.289 22.532 ( -0.301 -0.400 -1.465) 1.548 22.532 ( -0.301 -0.400 1.465) 1.548 23.341 ( 2.501 -1.074 -2.068) 3.418 23.341 ( 2.501 -1.074 2.068) 3.418 23.648 ( -1.841 -2.818 -8.179) 8.845 23.648 ( -1.841 -2.818 8.179) 8.845 ======================= Grid point 239 (81/90) ======================= q-point: ( 0.40 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.621 ( 1.781 7.903 -3.301) 8.749 2.621 ( 1.781 7.903 3.301) 8.749 2.763 ( 2.290 0.524 -5.049) 5.569 2.763 ( 2.290 0.524 5.049) 5.569 2.915 ( -0.600 13.756 -0.701) 13.787 2.915 ( -0.600 13.756 0.701) 13.787 2.996 ( -7.838 2.906 -4.225) 9.366 2.996 ( -7.838 2.906 4.225) 9.366 3.642 ( 1.102 6.519 -1.724) 6.832 3.642 ( 1.102 6.519 1.724) 6.832 4.083 ( 4.407 0.827 -3.336) 5.589 4.083 ( 4.407 0.827 3.336) 5.589 4.357 ( 0.454 -3.416 -3.652) 5.021 4.357 ( 0.454 -3.416 3.652) 5.021 4.538 ( 4.391 8.435 -3.287) 10.061 4.538 ( 4.391 8.435 3.287) 10.061 4.683 ( -4.299 -3.480 -4.820) 7.336 4.683 ( -4.299 -3.480 4.820) 7.336 5.180 ( 1.119 0.191 -1.385) 1.791 5.180 ( 1.119 0.191 1.385) 1.791 5.235 ( 1.165 5.872 -1.309) 6.128 5.235 ( 1.165 5.872 1.309) 6.128 5.719 ( 0.753 -2.377 -2.924) 3.843 5.719 ( 0.753 -2.377 2.924) 3.843 5.784 ( -6.641 1.802 -3.227) 7.600 5.784 ( -6.641 1.802 3.227) 7.600 6.136 ( -0.793 14.360 -1.332) 14.443 6.136 ( -0.793 14.360 1.332) 14.443 6.918 ( 8.153 -2.674 -9.717) 12.963 6.918 ( 8.153 -2.674 9.717) 12.963 7.054 ( -6.175 -3.494 -10.733) 12.867 7.054 ( -6.175 -3.494 10.733) 12.867 7.881 ( 0.273 5.426 -0.964) 5.518 7.881 ( 0.273 5.426 0.964) 5.518 8.359 ( -0.030 -4.226 -1.630) 4.530 8.359 ( -0.030 -4.226 1.630) 4.530 8.452 ( -0.472 -1.906 -4.144) 4.586 8.452 ( -0.472 -1.906 4.144) 4.586 8.965 ( 5.373 -1.447 -2.204) 5.985 8.965 ( 5.373 -1.447 2.204) 5.985 9.131 ( -3.734 -4.055 -2.037) 5.877 9.131 ( -3.734 -4.055 2.037) 5.877 9.447 ( 0.249 -13.215 -0.215) 13.220 9.447 ( 0.249 -13.215 0.215) 13.220 9.673 ( -0.145 7.994 -0.694) 8.025 9.673 ( -0.145 7.994 0.694) 8.025 10.255 ( -0.159 3.337 -1.528) 3.673 10.255 ( -0.159 3.337 1.528) 3.673 11.047 ( 5.874 -4.307 -1.336) 7.405 11.047 ( 5.874 -4.307 1.336) 7.405 11.293 ( -6.014 -5.754 -1.848) 8.526 11.293 ( -6.014 -5.754 1.848) 8.526 12.059 ( -0.178 2.572 -0.120) 2.581 12.059 ( -0.178 2.572 0.120) 2.581 12.504 ( -0.592 -3.824 -1.090) 4.021 12.504 ( -0.592 -3.824 1.090) 4.021 13.116 ( 0.261 9.638 -4.138) 10.491 13.116 ( 0.261 9.638 4.138) 10.491 13.239 ( -0.050 0.248 -2.575) 2.587 13.239 ( -0.050 0.248 2.575) 2.587 13.601 ( 2.388 0.597 -1.026) 2.667 13.601 ( 2.388 0.597 1.026) 2.667 14.299 ( -1.458 2.139 -1.038) 2.789 14.299 ( -1.458 2.139 1.038) 2.789 15.148 ( -0.868 0.186 -0.176) 0.905 15.148 ( -0.868 0.186 0.176) 0.905 16.536 ( 0.328 -11.264 -1.428) 11.359 16.536 ( 0.328 -11.264 1.428) 11.359 19.032 ( 0.710 13.285 -3.580) 13.777 19.032 ( 0.710 13.285 3.580) 13.777 19.061 ( -0.719 10.267 -3.067) 10.740 19.061 ( -0.719 10.267 3.067) 10.740 20.755 ( 5.436 -3.479 -3.920) 7.551 20.755 ( 5.436 -3.479 3.920) 7.551 21.067 ( -5.798 -2.696 -5.289) 8.298 21.067 ( -5.798 -2.696 5.289) 8.298 22.469 ( 0.209 0.128 -0.611) 0.659 22.469 ( 0.209 0.128 0.611) 0.659 22.526 ( -0.193 -0.298 -0.672) 0.760 22.526 ( -0.193 -0.298 0.672) 0.760 23.390 ( 1.983 -0.977 -1.774) 2.835 23.390 ( 1.983 -0.977 1.774) 2.835 23.610 ( -1.601 -2.909 -3.942) 5.154 23.610 ( -1.601 -2.909 3.942) 5.154 ======================= Grid point 245 (82/90) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.701 ( 0.000 4.625 -9.828) 10.862 2.701 ( 0.000 4.625 9.828) 10.862 2.887 ( 0.000 11.151 -6.233) 12.774 2.887 ( 0.000 11.151 6.233) 12.774 3.179 ( 0.000 1.237 -6.603) 6.718 3.179 ( 0.000 1.237 6.603) 6.718 3.436 ( 0.000 8.020 -7.020) 10.659 3.436 ( 0.000 8.020 7.020) 10.659 3.555 ( 0.000 7.045 -1.640) 7.233 3.555 ( 0.000 7.045 1.640) 7.233 4.092 ( 0.000 10.904 -5.585) 12.251 4.092 ( 0.000 10.904 5.585) 12.251 4.260 ( 0.000 -4.500 -0.569) 4.536 4.260 ( 0.000 -4.500 0.569) 4.536 4.480 ( 0.000 1.260 -0.392) 1.320 4.480 ( 0.000 1.260 0.392) 1.320 4.886 ( 0.000 3.962 -1.225) 4.147 4.886 ( 0.000 3.962 1.225) 4.147 5.107 ( 0.000 -1.577 -2.625) 3.062 5.107 ( 0.000 -1.577 2.625) 3.062 5.348 ( 0.000 13.340 -1.807) 13.462 5.348 ( 0.000 13.340 1.807) 13.462 5.690 ( 0.000 0.319 -3.226) 3.241 5.690 ( 0.000 0.319 3.226) 3.241 5.968 ( 0.000 -4.586 -4.320) 6.301 5.968 ( 0.000 -4.586 4.320) 6.301 6.526 ( 0.000 15.737 -0.380) 15.742 6.526 ( 0.000 15.737 0.380) 15.742 6.697 ( 0.000 3.047 -1.932) 3.607 6.697 ( 0.000 3.047 1.932) 3.607 7.067 ( 0.000 -4.659 -11.117) 12.053 7.067 ( 0.000 -4.659 11.117) 12.053 8.007 ( 0.000 7.148 -3.588) 7.997 8.007 ( 0.000 7.148 3.588) 7.997 8.294 ( 0.000 -3.571 -1.457) 3.857 8.294 ( 0.000 -3.571 1.458) 3.857 8.414 ( 0.000 -4.168 -8.904) 9.832 8.414 ( 0.000 -4.168 8.904) 9.832 8.725 ( 0.000 -4.130 -1.068) 4.266 8.725 ( 0.000 -4.130 1.068) 4.266 9.096 ( 0.000 -15.659 -2.487) 15.855 9.096 ( 0.000 -15.659 2.487) 15.855 9.189 ( 0.000 -3.837 -5.298) 6.542 9.189 ( 0.000 -3.837 5.298) 6.542 9.861 ( 0.000 9.897 -0.841) 9.933 9.861 ( 0.000 9.897 0.841) 9.933 10.321 ( 0.000 1.963 -4.731) 5.121 10.321 ( 0.000 1.963 4.731) 5.121 10.802 ( 0.000 -4.497 -0.355) 4.511 10.802 ( 0.000 -4.497 0.355) 4.511 11.271 ( 0.000 -10.189 -1.468) 10.294 11.271 ( 0.000 -10.189 1.468) 10.294 12.138 ( 0.000 3.332 -1.193) 3.539 12.138 ( 0.000 3.332 1.193) 3.539 12.450 ( 0.000 -3.868 -1.708) 4.228 12.450 ( 0.000 -3.868 1.708) 4.228 13.152 ( 0.000 -0.019 -4.425) 4.425 13.152 ( 0.000 -0.019 4.425) 4.425 13.340 ( 0.000 4.137 -5.075) 6.547 13.340 ( 0.000 4.137 5.075) 6.547 13.622 ( 0.000 10.611 -6.749) 12.575 13.622 ( 0.000 10.611 6.749) 12.575 14.389 ( 0.000 0.031 -2.457) 2.458 14.389 ( 0.000 0.031 2.457) 2.458 15.201 ( 0.000 2.313 -0.065) 2.314 15.201 ( 0.000 2.313 0.065) 2.314 16.223 ( 0.000 -16.122 -0.055) 16.122 16.223 ( 0.000 -16.122 0.055) 16.122 19.284 ( 0.000 14.737 -4.930) 15.540 19.284 ( 0.000 14.737 4.930) 15.540 19.428 ( 0.000 19.268 -1.692) 19.342 19.428 ( 0.000 19.268 1.692) 19.342 20.523 ( 0.000 -4.536 -3.536) 5.751 20.523 ( 0.000 -4.536 3.536) 5.751 21.137 ( 0.000 -6.859 -6.675) 9.571 21.137 ( 0.000 -6.859 6.675) 9.571 22.464 ( 0.000 0.200 -1.039) 1.058 22.464 ( 0.000 0.200 1.039) 1.058 22.522 ( 0.000 -0.693 -1.146) 1.340 22.522 ( 0.000 -0.693 1.146) 1.340 23.287 ( 0.000 -1.533 -0.935) 1.796 23.287 ( 0.000 -1.533 0.935) 1.796 23.595 ( 0.000 -3.742 -6.630) 7.614 23.595 ( 0.000 -3.742 6.630) 7.614 ======================= Grid point 247 (83/90) ======================= q-point: ( 0.20 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.695 ( 0.012 3.152 -8.347) 8.923 2.695 ( 0.012 3.152 8.347) 8.923 2.875 ( -1.544 9.036 -4.659) 10.283 2.875 ( -1.544 9.036 4.659) 10.283 3.123 ( -4.805 2.706 -4.048) 6.841 3.123 ( -4.805 2.706 4.048) 6.841 3.359 ( -5.783 11.976 -4.665) 14.094 3.359 ( -5.783 11.976 4.665) 14.094 3.655 ( 7.679 4.538 -0.463) 8.932 3.655 ( 7.679 4.538 0.463) 8.932 4.124 ( 1.963 8.824 -6.063) 10.885 4.124 ( 1.963 8.824 6.063) 10.885 4.265 ( 1.345 -3.157 -3.496) 4.899 4.265 ( 1.345 -3.157 3.496) 4.899 4.489 ( 0.766 -0.934 -0.888) 1.499 4.489 ( 0.766 -0.934 0.888) 1.499 4.870 ( -1.882 5.380 -1.870) 5.999 4.870 ( -1.882 5.380 1.870) 5.999 5.150 ( 4.712 1.296 -3.959) 6.289 5.150 ( 4.712 1.296 3.959) 6.289 5.366 ( 1.404 12.390 -2.399) 12.698 5.366 ( 1.404 12.390 2.399) 12.698 5.680 ( -1.040 -0.011 -2.339) 2.560 5.680 ( -1.040 -0.011 2.339) 2.560 5.916 ( -4.895 -2.671 -3.508) 6.587 5.916 ( -4.895 -2.671 3.508) 6.588 6.502 ( -2.296 14.907 -0.297) 15.085 6.502 ( -2.296 14.907 0.297) 15.085 6.753 ( 5.442 1.853 -4.252) 7.151 6.753 ( 5.442 1.853 4.252) 7.151 7.047 ( -2.217 -3.967 -10.572) 11.507 7.047 ( -2.217 -3.967 10.572) 11.507 8.010 ( 0.389 7.116 -3.246) 7.831 8.010 ( 0.389 7.116 3.246) 7.831 8.279 ( -1.455 -4.165 -0.316) 4.423 8.279 ( -1.455 -4.165 0.316) 4.423 8.404 ( -0.843 -4.117 -6.587) 7.814 8.404 ( -0.843 -4.117 6.587) 7.814 8.784 ( 5.754 -3.998 -1.639) 7.196 8.784 ( 5.754 -3.998 1.639) 7.196 9.092 ( -0.747 -14.024 -4.183) 14.654 9.092 ( -0.747 -14.024 4.183) 14.654 9.164 ( -2.420 -5.931 -5.969) 8.756 9.164 ( -2.420 -5.931 5.969) 8.756 9.863 ( 0.121 9.969 -0.706) 9.995 9.863 ( 0.121 9.969 0.706) 9.995 10.318 ( -0.296 1.987 -3.630) 4.149 10.318 ( -0.296 1.987 3.630) 4.149 10.842 ( 4.026 -4.990 -0.954) 6.482 10.842 ( 4.026 -4.990 0.954) 6.482 11.233 ( -3.979 -9.689 -1.784) 10.625 11.233 ( -3.979 -9.689 1.784) 10.625 12.130 ( -0.673 3.233 -0.992) 3.448 12.130 ( -0.673 3.233 0.992) 3.448 12.439 ( -1.043 -3.911 -1.363) 4.271 12.439 ( -1.043 -3.911 1.363) 4.271 13.179 ( 2.693 0.734 -4.831) 5.579 13.179 ( 2.693 0.734 4.831) 5.579 13.345 ( 0.120 4.999 -5.867) 7.708 13.345 ( 0.120 4.999 5.867) 7.708 13.629 ( 0.902 8.855 -5.340) 10.380 13.629 ( 0.902 8.855 5.340) 10.380 14.366 ( -2.159 -0.097 -2.043) 2.974 14.366 ( -2.159 -0.097 2.043) 2.974 15.194 ( -0.622 2.919 -0.443) 3.017 15.194 ( -0.622 2.919 0.443) 3.017 16.231 ( 0.714 -16.129 -0.189) 16.146 16.231 ( 0.714 -16.129 0.189) 16.146 19.292 ( 0.833 14.791 -4.373) 15.446 19.292 ( 0.833 14.791 4.373) 15.446 19.420 ( -0.766 19.322 -1.736) 19.415 19.420 ( -0.766 19.322 1.736) 19.415 20.564 ( 4.177 -4.965 -4.098) 7.674 20.564 ( 4.177 -4.965 4.098) 7.674 21.086 ( -5.086 -6.634 -6.560) 10.626 21.086 ( -5.086 -6.634 6.560) 10.626 22.467 ( 0.314 0.219 -0.967) 1.040 22.467 ( 0.314 0.219 0.967) 1.040 22.521 ( -0.169 -0.628 -1.065) 1.248 22.521 ( -0.169 -0.628 1.065) 1.248 23.313 ( 2.587 -1.490 -1.761) 3.466 23.313 ( 2.587 -1.490 1.761) 3.466 23.576 ( -1.941 -3.806 -5.984) 7.352 23.576 ( -1.941 -3.806 5.984) 7.352 ======================= Grid point 249 (84/90) ======================= q-point: ( 0.40 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.728 ( 3.855 1.586 -5.162) 6.635 2.728 ( 3.855 1.586 5.162) 6.635 2.818 ( -4.632 3.990 -2.983) 6.802 2.818 ( -4.632 3.990 2.983) 6.802 3.037 ( -3.154 5.708 -0.644) 6.554 3.037 ( -3.154 5.708 0.644) 6.554 3.282 ( -1.934 14.031 -2.038) 14.310 3.282 ( -1.934 14.031 2.038) 14.310 3.772 ( 3.784 5.901 -0.760) 7.051 3.772 ( 3.784 5.901 0.760) 7.051 4.127 ( -0.869 3.093 -3.765) 4.949 4.127 ( -0.869 3.093 3.765) 4.949 4.317 ( 2.664 0.895 -3.088) 4.175 4.317 ( 2.664 0.895 3.088) 4.175 4.502 ( 0.478 -5.964 -0.860) 6.045 4.502 ( 0.478 -5.964 0.860) 6.045 4.828 ( -1.758 8.958 -1.467) 9.245 4.828 ( -1.758 8.958 1.467) 9.245 5.267 ( 6.867 7.680 -5.224) 11.551 5.267 ( 6.867 7.680 5.224) 11.551 5.368 ( -2.211 9.140 -4.126) 10.269 5.368 ( -2.211 9.140 4.126) 10.269 5.660 ( -0.778 -2.084 -0.576) 2.297 5.660 ( -0.778 -2.084 0.576) 2.297 5.827 ( -3.327 1.424 -1.417) 3.887 5.827 ( -3.327 1.424 1.417) 3.887 6.461 ( -1.446 13.676 -0.111) 13.753 6.461 ( -1.446 13.676 0.111) 13.753 6.871 ( 6.612 -0.386 -7.071) 9.688 6.871 ( 6.612 -0.386 7.071) 9.688 6.981 ( -4.871 -2.387 -9.166) 10.651 6.981 ( -4.871 -2.387 9.166) 10.651 8.021 ( 0.565 7.596 -1.560) 7.775 8.021 ( 0.565 7.596 1.560) 7.775 8.251 ( -1.152 -5.655 -0.600) 5.802 8.251 ( -1.152 -5.655 0.600) 5.802 8.392 ( -0.341 -3.876 -2.140) 4.441 8.392 ( -0.341 -3.876 2.140) 4.441 8.911 ( 6.968 -3.913 -2.243) 8.301 8.911 ( 6.968 -3.913 2.243) 8.301 9.043 ( -4.808 -5.810 -4.196) 8.630 9.043 ( -4.808 -5.810 4.196) 8.630 9.128 ( -0.783 -14.843 -3.275) 15.220 9.128 ( -0.783 -14.843 3.275) 15.220 9.865 ( 0.090 10.079 -0.287) 10.083 9.865 ( 0.090 10.079 0.287) 10.083 10.313 ( -0.160 2.028 -1.280) 2.403 10.313 ( -0.160 2.028 1.280) 2.403 10.932 ( 4.570 -6.288 -1.312) 7.883 10.932 ( 4.570 -6.288 1.312) 7.883 11.142 ( -4.592 -8.381 -1.583) 9.687 11.142 ( -4.592 -8.381 1.583) 9.687 12.120 ( -0.327 3.130 -0.401) 3.173 12.120 ( -0.327 3.130 0.401) 3.173 12.421 ( -0.632 -4.061 -0.509) 4.142 12.421 ( -0.632 -4.061 0.509) 4.142 13.235 ( 2.657 1.514 -4.111) 5.124 13.235 ( 2.657 1.514 4.111) 5.124 13.332 ( -1.343 6.987 -4.832) 8.600 13.332 ( -1.343 6.987 4.832) 8.600 13.652 ( 1.075 5.852 -1.932) 6.256 13.652 ( 1.075 5.852 1.932) 6.256 14.327 ( -1.498 -0.282 -0.812) 1.727 14.327 ( -1.498 -0.282 0.812) 1.727 15.183 ( -0.379 3.885 -0.272) 3.913 15.183 ( -0.379 3.885 0.272) 3.913 16.243 ( 0.430 -16.134 -0.113) 16.140 16.243 ( 0.430 -16.134 0.113) 16.140 19.309 ( 0.662 14.751 -2.086) 14.912 19.309 ( 0.662 14.751 2.086) 14.912 19.405 ( -0.618 19.536 -1.074) 19.575 19.405 ( -0.618 19.536 1.074) 19.575 20.655 ( 4.251 -5.976 -3.208) 8.005 20.655 ( 4.251 -5.976 3.208) 8.005 20.979 ( -4.803 -5.952 -4.122) 8.688 20.979 ( -4.803 -5.952 4.122) 8.688 22.473 ( 0.215 0.255 -0.472) 0.578 22.473 ( 0.215 0.255 0.472) 0.578 22.518 ( -0.118 -0.537 -0.516) 0.753 22.518 ( -0.118 -0.537 0.516) 0.753 23.366 ( 2.293 -1.179 -1.686) 3.081 23.366 ( 2.293 -1.179 1.686) 3.081 23.534 ( -1.915 -4.143 -3.186) 5.566 23.534 ( -1.915 -4.143 3.186) 5.566 ======================= Grid point 255 (85/90) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.787 ( 0.000 3.377 -7.453) 8.183 2.787 ( 0.000 3.377 7.453) 8.183 3.053 ( 0.000 5.009 -3.642) 6.193 3.053 ( 0.000 5.009 3.642) 6.193 3.142 ( 0.000 -2.501 -6.104) 6.596 3.142 ( 0.000 -2.501 6.104) 6.596 3.566 ( 0.000 3.817 -5.038) 6.320 3.566 ( 0.000 3.817 5.038) 6.320 3.751 ( 0.000 8.146 -0.067) 8.146 3.751 ( 0.000 8.146 0.067) 8.146 4.183 ( 0.000 1.171 -0.169) 1.183 4.183 ( 0.000 1.171 0.169) 1.183 4.250 ( 0.000 2.140 -0.923) 2.331 4.250 ( 0.000 2.140 0.923) 2.331 4.534 ( 0.000 1.432 -3.198) 3.504 4.534 ( 0.000 1.432 3.198) 3.504 4.875 ( 0.000 -0.632 -1.101) 1.270 4.875 ( 0.000 -0.632 1.101) 1.270 5.118 ( 0.000 0.805 -3.676) 3.763 5.118 ( 0.000 0.805 3.676) 3.763 5.553 ( 0.000 3.193 -3.490) 4.731 5.553 ( 0.000 3.193 3.490) 4.731 5.792 ( 0.000 0.607 -2.349) 2.426 5.792 ( 0.000 0.607 2.349) 2.426 5.968 ( 0.000 14.195 -8.746) 16.673 5.968 ( 0.000 14.195 8.746) 16.673 6.644 ( 0.000 0.055 -5.238) 5.238 6.644 ( 0.000 0.055 5.238) 5.238 6.771 ( 0.000 -3.640 -1.920) 4.115 6.771 ( 0.000 -3.640 1.920) 4.115 7.118 ( 0.000 10.908 -3.203) 11.369 7.118 ( 0.000 10.908 3.203) 11.369 8.123 ( 0.000 2.574 -7.888) 8.298 8.123 ( 0.000 2.574 7.888) 8.298 8.244 ( 0.000 -0.849 -6.609) 6.663 8.244 ( 0.000 -0.849 6.609) 6.663 8.319 ( 0.000 -3.110 -2.562) 4.029 8.319 ( 0.000 -3.110 2.562) 4.029 8.645 ( 0.000 -3.476 -1.401) 3.748 8.645 ( 0.000 -3.476 1.401) 3.748 8.757 ( 0.000 -14.861 -1.869) 14.978 8.757 ( 0.000 -14.861 1.869) 14.978 9.143 ( 0.000 -1.583 -1.149) 1.956 9.143 ( 0.000 -1.583 1.149) 1.956 10.063 ( 0.000 9.259 -1.210) 9.338 10.063 ( 0.000 9.259 1.210) 9.338 10.333 ( 0.000 -1.226 -3.862) 4.052 10.333 ( 0.000 -1.226 3.862) 4.052 10.727 ( 0.000 -2.251 -0.752) 2.373 10.727 ( 0.000 -2.251 0.752) 2.373 11.068 ( 0.000 -8.672 -1.371) 8.780 11.068 ( 0.000 -8.672 1.371) 8.780 12.202 ( 0.000 2.840 -1.203) 3.084 12.202 ( 0.000 2.840 1.203) 3.084 12.376 ( 0.000 -3.252 -0.259) 3.262 12.376 ( 0.000 -3.252 0.259) 3.262 13.159 ( 0.000 0.785 -0.262) 0.827 13.159 ( 0.000 0.785 0.262) 0.827 13.366 ( 0.000 -0.418 -3.355) 3.381 13.366 ( 0.000 -0.418 3.355) 3.381 13.893 ( 0.000 13.855 -7.297) 15.659 13.893 ( 0.000 13.855 7.297) 15.659 14.334 ( 0.000 -5.573 -3.371) 6.513 14.334 ( 0.000 -5.573 3.371) 6.513 15.300 ( 0.000 7.195 -1.808) 7.419 15.300 ( 0.000 7.195 1.808) 7.419 15.894 ( 0.000 -15.032 -2.687) 15.271 15.894 ( 0.000 -15.032 2.687) 15.271 19.586 ( 0.000 13.496 -3.772) 14.013 19.586 ( 0.000 13.496 3.772) 14.013 19.791 ( 0.000 13.850 -4.132) 14.454 19.791 ( 0.000 13.850 4.132) 14.454 20.425 ( 0.000 -4.012 -3.695) 5.454 20.425 ( 0.000 -4.012 3.695) 5.454 20.973 ( 0.000 -8.375 -4.322) 9.424 20.973 ( 0.000 -8.375 4.322) 9.424 22.468 ( 0.000 0.185 -0.600) 0.628 22.468 ( 0.000 0.185 0.600) 0.628 22.509 ( 0.000 -0.574 -0.542) 0.789 22.509 ( 0.000 -0.574 0.542) 0.789 23.258 ( 0.000 -1.092 -0.635) 1.263 23.258 ( 0.000 -1.092 0.635) 1.263 23.528 ( 0.000 -2.479 -3.378) 4.190 23.528 ( 0.000 -2.479 3.378) 4.190 ======================= Grid point 257 (86/90) ======================= q-point: ( 0.20 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.748 ( -2.537 1.964 -6.124) 6.913 2.748 ( -2.537 1.964 6.124) 6.913 3.004 ( -5.181 3.826 -0.609) 6.469 3.004 ( -5.181 3.826 0.609) 6.469 3.158 ( 0.934 0.797 -0.818) 1.475 3.158 ( 0.934 0.797 0.818) 1.475 3.491 ( -6.485 1.473 -3.986) 7.753 3.491 ( -6.485 1.473 3.986) 7.753 3.818 ( 6.734 8.745 -1.204) 11.102 3.818 ( 6.734 8.745 1.204) 11.102 4.212 ( 1.306 2.559 -2.463) 3.784 4.212 ( 1.306 2.559 2.463) 3.784 4.257 ( 1.705 0.116 -3.023) 3.472 4.257 ( 1.705 0.116 3.023) 3.472 4.498 ( -3.541 0.323 -1.886) 4.025 4.498 ( -3.541 0.323 1.886) 4.025 4.927 ( 4.025 3.245 -1.907) 5.511 4.927 ( 4.025 3.245 1.907) 5.511 5.172 ( 5.996 -0.430 -4.939) 7.780 5.172 ( 5.996 -0.430 4.939) 7.780 5.559 ( 0.804 3.077 -4.533) 5.537 5.559 ( 0.804 3.077 4.533) 5.537 5.802 ( 0.401 0.568 -1.637) 1.779 5.802 ( 0.401 0.568 1.637) 1.779 5.923 ( -4.273 15.341 -7.291) 17.515 5.923 ( -4.273 15.341 7.291) 17.515 6.592 ( -4.281 -4.269 -5.374) 8.089 6.592 ( -4.281 -4.269 5.374) 8.089 6.828 ( 4.934 0.482 -3.288) 5.948 6.828 ( 4.934 0.482 3.288) 5.948 7.100 ( -2.051 9.868 -3.229) 10.584 7.100 ( -2.051 9.868 3.229) 10.584 8.122 ( 0.167 2.140 -7.778) 8.068 8.122 ( 0.167 2.140 7.778) 8.068 8.228 ( -1.705 -0.105 -6.978) 7.184 8.228 ( -1.705 -0.105 6.978) 7.184 8.313 ( -0.362 -2.826 -1.897) 3.423 8.313 ( -0.362 -2.826 1.897) 3.423 8.689 ( 3.188 -7.114 -2.436) 8.167 8.689 ( 3.188 -7.114 2.436) 8.167 8.769 ( 2.283 -11.623 -2.559) 12.119 8.769 ( 2.283 -11.623 2.559) 12.119 9.107 ( -3.825 -1.822 -1.138) 4.387 9.107 ( -3.825 -1.822 1.138) 4.387 10.066 ( 0.243 9.369 -1.057) 9.431 10.066 ( 0.243 9.369 1.057) 9.431 10.330 ( -0.202 -1.186 -3.115) 3.339 10.330 ( -0.202 -1.186 3.115) 3.339 10.755 ( 2.866 -2.777 -1.059) 4.129 10.755 ( 2.866 -2.777 1.059) 4.129 11.038 ( -3.039 -8.359 -1.397) 9.003 11.038 ( -3.039 -8.359 1.397) 9.003 12.194 ( -0.641 2.948 -1.118) 3.217 12.194 ( -0.641 2.948 1.118) 3.217 12.363 ( -1.312 -3.449 -0.532) 3.728 12.363 ( -1.312 -3.449 0.532) 3.728 13.200 ( 3.899 1.334 -0.627) 4.168 13.200 ( 3.899 1.334 0.627) 4.168 13.378 ( 0.990 -0.510 -3.458) 3.633 13.378 ( 0.990 -0.510 3.458) 3.633 13.877 ( -1.415 13.298 -6.004) 14.659 13.877 ( -1.415 13.298 6.004) 14.659 14.308 ( -2.434 -5.712 -2.812) 6.816 14.308 ( -2.434 -5.712 2.812) 6.816 15.309 ( 0.883 8.206 -1.704) 8.428 15.309 ( 0.883 8.206 1.704) 8.428 15.898 ( 0.301 -15.567 -2.199) 15.724 15.898 ( 0.301 -15.567 2.199) 15.724 19.598 ( 1.123 13.792 -3.333) 14.233 19.598 ( 1.123 13.792 3.333) 14.233 19.783 ( -0.731 13.765 -3.569) 14.239 19.783 ( -0.731 13.765 3.569) 14.239 20.460 ( 3.517 -4.147 -3.866) 6.672 20.460 ( 3.517 -4.147 3.866) 6.672 20.924 ( -4.876 -8.486 -4.355) 10.712 20.924 ( -4.876 -8.486 4.355) 10.712 22.472 ( 0.391 0.237 -0.594) 0.750 22.472 ( 0.391 0.237 0.594) 0.750 22.508 ( -0.107 -0.569 -0.600) 0.834 22.508 ( -0.107 -0.569 0.600) 0.834 23.286 ( 2.751 -1.040 -1.096) 3.139 23.286 ( 2.751 -1.040 1.096) 3.139 23.507 ( -2.155 -2.558 -3.148) 4.593 23.507 ( -2.155 -2.558 3.148) 4.593 ======================= Grid point 259 (87/90) ======================= q-point: ( 0.40 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.749 ( 3.421 0.825 -3.818) 5.192 2.749 ( 3.421 0.825 3.818) 5.192 2.870 ( -8.185 1.494 -2.333) 8.641 2.870 ( -8.185 1.494 2.333) 8.641 3.166 ( 0.123 5.602 -1.125) 5.715 3.166 ( 0.123 5.602 1.125) 5.715 3.397 ( -2.653 -1.751 -1.738) 3.623 3.397 ( -2.653 -1.751 1.738) 3.623 3.944 ( 4.919 10.432 -1.295) 11.606 3.944 ( 4.919 10.432 1.295) 11.606 4.208 ( -0.763 5.099 -1.978) 5.522 4.208 ( -0.763 5.099 1.978) 5.522 4.319 ( 4.215 -3.874 -3.802) 6.872 4.319 ( 4.215 -3.874 3.802) 6.872 4.413 ( -5.228 -1.994 -0.956) 5.676 4.413 ( -5.228 -1.994 0.956) 5.676 4.983 ( 1.662 8.109 -1.149) 8.357 4.983 ( 1.662 8.109 1.149) 8.357 5.302 ( 5.473 -3.430 -3.693) 7.441 5.302 ( 5.473 -3.430 3.693) 7.441 5.601 ( 4.587 4.584 -4.626) 7.965 5.601 ( 4.587 4.584 4.626) 7.965 5.739 ( -7.503 7.299 -2.880) 10.857 5.739 ( -7.503 7.299 2.880) 10.857 5.878 ( 0.095 10.598 -0.930) 10.639 5.878 ( 0.095 10.598 0.930) 10.639 6.522 ( -2.465 -7.514 -2.274) 8.228 6.522 ( -2.465 -7.514 2.274) 8.228 6.928 ( 5.214 3.843 -2.164) 6.829 6.928 ( 5.214 3.843 2.164) 6.829 7.042 ( -3.894 7.694 -2.584) 9.003 7.042 ( -3.894 7.694 2.584) 9.003 8.137 ( 1.324 -0.306 -6.469) 6.610 8.137 ( 1.324 -0.306 6.469) 6.610 8.189 ( -2.139 2.871 -6.216) 7.173 8.189 ( -2.139 2.871 6.216) 7.173 8.310 ( -0.037 -2.247 -0.633) 2.335 8.310 ( -0.037 -2.247 0.633) 2.335 8.713 ( 0.084 -15.560 -1.138) 15.602 8.713 ( 0.084 -15.560 1.138) 15.602 8.869 ( 7.267 -3.706 -2.025) 8.405 8.869 ( 7.267 -3.706 2.025) 8.405 9.007 ( -6.590 -2.464 -1.323) 7.159 9.007 ( -6.590 -2.464 1.323) 7.159 10.070 ( 0.166 9.563 -0.455) 9.576 10.070 ( 0.166 9.563 0.455) 9.576 10.327 ( -0.125 -1.178 -1.192) 1.680 10.327 ( -0.125 -1.178 1.192) 1.680 10.820 ( 3.257 -3.760 -1.062) 5.086 10.820 ( 3.257 -3.760 1.062) 5.086 10.971 ( -3.397 -7.682 -1.116) 8.474 10.971 ( -3.397 -7.682 1.116) 8.474 12.185 ( -0.239 3.238 -0.530) 3.290 12.185 ( -0.239 3.238 0.530) 3.290 12.339 ( -0.869 -3.872 -0.349) 3.984 12.339 ( -0.869 -3.872 0.349) 3.984 13.275 ( 3.085 2.341 -0.884) 3.972 13.275 ( 3.085 2.341 0.884) 3.972 13.388 ( -0.083 -0.491 -2.168) 2.224 13.388 ( -0.083 -0.491 2.168) 2.225 13.854 ( -0.782 12.072 -2.351) 12.324 13.854 ( -0.782 12.072 2.351) 12.324 14.264 ( -1.629 -5.872 -1.123) 6.197 14.264 ( -1.629 -5.872 1.123) 6.197 15.324 ( 0.502 9.776 -0.763) 9.819 15.324 ( 0.502 9.776 0.763) 9.819 15.903 ( 0.193 -16.416 -0.854) 16.439 15.903 ( 0.193 -16.416 0.854) 16.439 19.619 ( 0.813 14.369 -1.542) 14.474 19.619 ( 0.813 14.369 1.542) 14.474 19.769 ( -0.568 13.527 -1.599) 13.633 19.769 ( -0.568 13.527 1.599) 13.633 20.538 ( 3.783 -3.984 -2.730) 6.135 20.538 ( 3.783 -3.984 2.730) 6.135 20.822 ( -4.610 -9.048 -2.909) 10.563 20.822 ( -4.610 -9.048 2.909) 10.563 22.479 ( 0.298 0.381 -0.351) 0.598 22.479 ( 0.298 0.381 0.351) 0.598 22.505 ( -0.121 -0.626 -0.376) 0.740 22.505 ( -0.121 -0.626 0.376) 0.740 23.347 ( 3.168 -0.531 -1.385) 3.498 23.347 ( 3.168 -0.531 1.385) 3.498 23.456 ( -2.815 -3.108 -2.116) 4.697 23.456 ( -2.815 -3.108 2.116) 4.697 ======================= Grid point 265 (88/90) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.824 ( 0.000 0.000 0.000) 0.000 2.824 ( 0.000 0.000 0.000) 0.000 3.102 ( 0.000 -0.000 -0.000) 0.000 3.102 ( 0.000 -0.000 0.000) 0.000 3.116 ( 0.000 0.000 0.000) 0.000 3.116 ( 0.000 0.000 0.000) 0.000 3.595 ( 0.000 0.000 0.000) 0.000 3.595 ( 0.000 0.000 0.000) 0.000 3.835 ( 0.000 0.000 0.000) 0.000 3.835 ( 0.000 0.000 0.000) 0.000 4.199 ( 0.000 0.000 0.000) 0.000 4.199 ( 0.000 0.000 0.000) 0.000 4.304 ( 0.000 0.000 0.000) 0.000 4.304 ( 0.000 0.000 0.000) 0.000 4.505 ( 0.000 0.000 0.000) 0.000 4.505 ( 0.000 0.000 0.000) 0.000 4.894 ( 0.000 -0.000 0.000) 0.000 4.894 ( 0.000 -0.000 0.000) 0.000 5.123 ( 0.000 0.000 0.000) 0.000 5.123 ( 0.000 0.000 0.000) 0.000 5.583 ( 0.000 0.000 0.000) 0.000 5.583 ( 0.000 0.000 0.000) 0.000 5.749 ( 0.000 0.000 0.000) 0.000 5.749 ( 0.000 0.000 0.000) 0.000 6.253 ( 0.000 -0.000 0.000) 0.000 6.253 ( 0.000 0.000 0.000) 0.000 6.576 ( 0.000 -0.000 0.000) 0.000 6.576 ( 0.000 0.000 0.000) 0.000 6.714 ( 0.000 -0.000 0.000) 0.000 6.714 ( 0.000 0.000 0.000) 0.000 7.268 ( 0.000 0.000 0.000) 0.000 7.268 ( 0.000 0.000 0.000) 0.000 8.132 ( 0.000 0.000 0.000) 0.000 8.132 ( 0.000 0.000 0.000) 0.000 8.205 ( 0.000 0.000 0.000) 0.000 8.205 ( 0.000 0.000 0.000) 0.000 8.353 ( 0.000 -0.000 0.000) 0.000 8.353 ( 0.000 -0.000 0.000) 0.000 8.545 ( 0.000 0.000 0.000) 0.000 8.545 ( 0.000 0.000 0.000) 0.000 8.623 ( 0.000 -0.000 -0.000) 0.000 8.623 ( 0.000 0.000 0.000) 0.000 9.125 ( 0.000 0.000 0.000) 0.000 9.125 ( 0.000 0.000 0.000) 0.000 10.198 ( 0.000 0.000 -0.000) 0.000 10.198 ( 0.000 0.000 0.000) 0.000 10.284 ( 0.000 0.000 0.000) 0.000 10.284 ( 0.000 0.000 0.000) 0.000 10.711 ( 0.000 -0.000 0.000) 0.000 10.711 ( 0.000 0.000 0.000) 0.000 10.965 ( 0.000 0.000 0.000) 0.000 10.965 ( 0.000 -0.000 0.000) 0.000 12.241 ( 0.000 -0.000 0.000) 0.000 12.241 ( 0.000 -0.000 0.000) 0.000 12.333 ( 0.000 0.000 0.000) 0.000 12.333 ( 0.000 0.000 0.000) 0.000 13.171 ( 0.000 -0.000 0.000) 0.000 13.171 ( 0.000 0.000 0.000) 0.000 13.357 ( 0.000 0.000 0.000) 0.000 13.357 ( 0.000 0.000 0.000) 0.000 14.122 ( 0.000 0.000 -0.000) 0.000 14.122 ( 0.000 0.000 0.000) 0.000 14.192 ( 0.000 -0.000 -0.000) 0.000 14.192 ( 0.000 -0.000 0.000) 0.000 15.427 ( 0.000 0.000 0.000) 0.000 15.427 ( 0.000 0.000 0.000) 0.000 15.686 ( 0.000 0.000 0.000) 0.000 15.686 ( 0.000 0.000 0.000) 0.000 19.758 ( 0.000 0.000 0.000) 0.000 19.758 ( 0.000 0.000 0.000) 0.000 19.924 ( 0.000 0.000 0.000) 0.000 19.924 ( 0.000 0.000 0.000) 0.000 20.393 ( 0.000 0.000 0.000) 0.000 20.393 ( 0.000 0.000 0.000) 0.000 20.861 ( 0.000 -0.000 0.000) 0.000 20.861 ( 0.000 0.000 0.000) 0.000 22.470 ( 0.000 0.000 0.000) 0.000 22.470 ( 0.000 0.000 0.000) 0.000 22.502 ( 0.000 0.000 0.000) 0.000 22.502 ( 0.000 0.000 0.000) 0.000 23.247 ( 0.000 0.000 0.000) 0.000 23.247 ( 0.000 0.000 0.000) 0.000 23.501 ( 0.000 0.000 0.000) 0.000 23.501 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 269 (89/90) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.769 ( -3.563 0.000 0.000) 3.563 2.769 ( -3.563 0.000 0.000) 3.563 3.044 ( -6.311 -0.000 0.000) 6.311 3.044 ( -6.311 0.000 0.000) 6.311 3.164 ( 3.893 0.000 0.000) 3.893 3.164 ( 3.893 0.000 0.000) 3.893 3.492 ( -8.768 0.000 0.000) 8.768 3.492 ( -8.768 0.000 0.000) 8.768 3.919 ( 8.295 -0.000 0.000) 8.295 3.919 ( 8.295 0.000 0.000) 8.295 4.222 ( 1.535 0.000 0.000) 1.535 4.222 ( 1.535 0.000 0.000) 1.535 4.296 ( -0.464 0.000 0.000) 0.464 4.296 ( -0.464 0.000 0.000) 0.464 4.473 ( -3.792 0.000 0.000) 3.792 4.473 ( -3.792 0.000 0.000) 3.792 4.992 ( 9.026 0.000 0.000) 9.026 4.992 ( 9.026 0.000 0.000) 9.026 5.149 ( 2.396 0.000 0.000) 2.396 5.149 ( 2.396 0.000 0.000) 2.396 5.593 ( 1.438 -0.000 0.000) 1.438 5.593 ( 1.438 0.000 0.000) 1.438 5.757 ( 0.572 0.000 0.000) 0.572 5.757 ( 0.572 0.000 0.000) 0.572 6.238 ( -1.371 -0.000 0.000) 1.371 6.238 ( -1.371 0.000 0.000) 1.371 6.447 ( -9.674 -0.000 0.000) 9.674 6.447 ( -9.674 0.000 0.000) 9.674 6.827 ( 8.313 -0.000 0.000) 8.313 6.827 ( 8.313 0.000 0.000) 8.313 7.233 ( -3.710 0.000 0.000) 3.710 7.233 ( -3.710 0.000 0.000) 3.710 8.134 ( 0.238 0.000 0.000) 0.238 8.134 ( 0.238 0.000 0.000) 0.238 8.195 ( -1.046 0.000 0.000) 1.046 8.195 ( -1.046 0.000 0.000) 1.046 8.354 ( 0.755 -0.000 0.000) 0.755 8.354 ( 0.755 -0.000 0.000) 0.755 8.522 ( -2.343 0.000 0.000) 2.343 8.522 ( -2.343 0.000 0.000) 2.343 8.691 ( 6.487 -0.000 0.000) 6.487 8.691 ( 6.487 0.000 0.000) 6.487 9.086 ( -4.090 0.000 0.000) 4.090 9.086 ( -4.090 0.000 0.000) 4.090 10.207 ( 0.914 0.000 0.000) 0.914 10.207 ( 0.914 0.000 0.000) 0.914 10.278 ( -0.701 -0.000 0.000) 0.701 10.278 ( -0.701 0.000 0.000) 0.701 10.734 ( 2.353 -0.000 0.000) 2.353 10.734 ( 2.353 0.000 0.000) 2.353 10.938 ( -2.784 0.000 0.000) 2.784 10.938 ( -2.784 -0.000 0.000) 2.784 12.237 ( -0.206 -0.000 0.000) 0.206 12.237 ( -0.206 0.000 0.000) 0.206 12.314 ( -1.825 0.000 0.000) 1.825 12.314 ( -1.825 0.000 0.000) 1.825 13.219 ( 4.587 -0.000 0.000) 4.587 13.219 ( 4.587 0.000 0.000) 4.587 13.366 ( 0.731 -0.000 0.000) 0.731 13.366 ( 0.731 0.000 0.000) 0.731 14.106 ( -1.485 0.000 -0.000) 1.485 14.106 ( -1.485 0.000 0.000) 1.485 14.160 ( -3.034 -0.000 0.000) 3.034 14.160 ( -3.034 -0.000 0.000) 3.034 15.463 ( 3.496 0.000 0.000) 3.496 15.463 ( 3.496 0.000 0.000) 3.496 15.668 ( -1.844 0.000 0.000) 1.844 15.668 ( -1.844 0.000 0.000) 1.844 19.778 ( 2.001 0.000 0.000) 2.001 19.778 ( 2.001 0.000 0.000) 2.001 19.911 ( -1.341 0.000 0.000) 1.341 19.911 ( -1.341 0.000 0.000) 1.341 20.429 ( 3.831 0.000 0.000) 3.831 20.429 ( 3.831 0.000 0.000) 3.831 20.808 ( -5.489 -0.000 0.000) 5.489 20.808 ( -5.489 0.000 0.000) 5.489 22.475 ( 0.486 0.000 0.000) 0.486 22.475 ( 0.486 0.000 0.000) 0.486 22.501 ( -0.146 0.000 0.000) 0.146 22.501 ( -0.146 0.000 0.000) 0.146 23.274 ( 2.845 0.000 0.000) 2.845 23.274 ( 2.845 0.000 0.000) 2.845 23.480 ( -2.278 0.000 0.000) 2.278 23.480 ( -2.278 0.000 0.000) 2.278 ======================= Grid point 273 (90/90) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.759 ( 3.326 0.000 0.000) 3.326 2.759 ( 3.326 0.000 0.000) 3.326 2.886 ( -9.240 -0.000 0.000) 9.240 2.886 ( -9.240 0.000 0.000) 9.240 3.241 ( 4.541 0.000 0.000) 4.541 3.241 ( 4.541 0.000 0.000) 4.541 3.342 ( -6.655 -0.000 0.000) 6.655 3.342 ( -6.655 0.000 0.000) 6.655 4.102 ( 10.018 -0.000 0.000) 10.018 4.102 ( 10.018 0.000 0.000) 10.018 4.225 ( -2.148 -0.000 0.000) 2.148 4.225 ( -2.148 0.000 0.000) 2.148 4.300 ( 1.176 -0.000 0.000) 1.176 4.300 ( 1.176 0.000 0.000) 1.176 4.368 ( -6.380 -0.000 0.000) 6.380 4.368 ( -6.380 0.000 0.000) 6.380 5.148 ( 5.780 -0.000 0.000) 5.780 5.148 ( 5.780 0.000 0.000) 5.780 5.187 ( 0.898 -0.000 0.000) 0.898 5.187 ( 0.898 0.000 0.000) 0.898 5.655 ( 5.305 -0.000 0.000) 5.305 5.655 ( 5.305 0.000 0.000) 5.305 5.745 ( -2.792 0.000 0.000) 2.792 5.745 ( -2.792 0.000 0.000) 2.792 6.219 ( 0.098 -0.000 0.000) 0.098 6.219 ( 0.098 0.000 0.000) 0.098 6.279 ( -6.944 -0.000 0.000) 6.944 6.279 ( -6.944 0.000 0.000) 6.944 6.986 ( 8.521 0.000 0.000) 8.521 6.986 ( 8.521 0.000 0.000) 8.521 7.133 ( -6.909 0.000 0.000) 6.909 7.133 ( -6.909 0.000 0.000) 6.909 8.145 ( 0.979 0.000 0.000) 0.979 8.145 ( 0.979 0.000 0.000) 0.979 8.169 ( -1.532 0.000 0.000) 1.532 8.169 ( -1.532 -0.000 0.000) 1.532 8.393 ( 3.291 -0.000 0.000) 3.291 8.393 ( 3.291 0.000 0.000) 3.291 8.463 ( -3.809 -0.000 0.000) 3.809 8.463 ( -3.809 0.000 0.000) 3.809 8.834 ( 8.246 -0.000 0.000) 8.246 8.834 ( 8.246 0.000 0.000) 8.246 8.980 ( -7.108 0.000 0.000) 7.108 8.980 ( -7.108 0.000 0.000) 7.108 10.230 ( 1.493 0.000 0.000) 1.493 10.230 ( 1.493 0.000 0.000) 1.493 10.258 ( -1.367 -0.000 0.000) 1.367 10.258 ( -1.367 0.000 0.000) 1.367 10.793 ( 3.879 0.000 0.000) 3.879 10.793 ( 3.879 0.000 0.000) 3.879 10.870 ( -4.158 0.000 0.000) 4.158 10.870 ( -4.158 0.000 0.000) 4.158 12.243 ( 1.024 -0.000 0.000) 1.024 12.243 ( 1.024 0.000 0.000) 1.024 12.274 ( -2.174 0.000 0.000) 2.174 12.274 ( -2.174 0.000 0.000) 2.174 13.312 ( 4.582 0.000 0.000) 4.582 13.312 ( 4.582 0.000 0.000) 4.582 13.367 ( -1.177 -0.000 0.000) 1.177 13.367 ( -1.177 0.000 0.000) 1.177 14.083 ( -0.455 0.000 0.000) 0.455 14.083 ( -0.455 0.000 0.000) 0.455 14.103 ( -2.493 -0.000 0.000) 2.493 14.103 ( -2.493 -0.000 0.000) 2.493 15.541 ( 4.494 0.000 0.000) 4.494 15.541 ( 4.494 0.000 0.000) 4.494 15.618 ( -3.535 -0.000 0.000) 3.535 15.618 ( -3.535 0.000 0.000) 3.535 19.825 ( 2.844 0.000 0.000) 2.844 19.825 ( 2.844 0.000 0.000) 2.844 19.876 ( -2.433 0.000 0.000) 2.433 19.876 ( -2.433 0.000 0.000) 2.433 20.531 ( 7.014 0.000 0.000) 7.014 20.531 ( 7.014 0.000 0.000) 7.014 20.676 ( -8.028 -0.000 0.000) 8.028 20.676 ( -8.028 0.000 0.000) 8.028 22.486 ( 0.619 0.000 0.000) 0.619 22.486 ( 0.619 0.000 0.000) 0.619 22.496 ( -0.409 0.000 0.000) 0.409 22.496 ( -0.409 0.000 0.000) 0.409 23.343 ( 4.222 0.000 0.000) 4.222 23.343 ( 4.222 0.000 0.000) 4.222 23.421 ( -3.885 0.000 0.000) 3.885 23.421 ( -3.885 0.000 0.000) 3.885 =================== 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 3/33600 10.0 3374.014 2140.692 1991.352 0.000 0.000 -0.000 3/33600 20.0 624.762 580.506 588.636 0.000 0.000 0.000 3/33600 30.0 166.166 192.238 194.748 0.000 0.000 0.000 3/33600 40.0 75.071 92.709 90.871 0.000 0.000 0.000 3/33600 50.0 43.643 55.009 52.558 0.000 0.000 0.000 3/33600 60.0 28.958 36.740 34.599 0.000 0.000 0.000 3/33600 70.0 20.874 26.538 24.807 0.000 0.000 0.000 3/33600 80.0 15.942 20.283 18.890 0.000 0.000 0.000 3/33600 90.0 12.708 16.178 15.040 0.000 0.000 0.000 3/33600 100.0 10.469 13.340 12.389 0.000 0.000 0.000 3/33600 110.0 8.852 11.293 10.481 0.000 0.000 0.000 3/33600 120.0 7.642 9.767 9.057 0.000 0.000 0.000 3/33600 130.0 6.711 8.595 7.963 0.000 0.000 0.000 3/33600 140.0 5.976 7.674 7.100 0.000 0.000 0.000 3/33600 150.0 5.385 6.935 6.405 0.000 0.000 0.000 3/33600 160.0 4.900 6.332 5.836 0.000 0.000 0.000 3/33600 170.0 4.497 5.830 5.361 0.000 0.000 0.000 3/33600 180.0 4.156 5.409 4.960 0.000 0.000 0.000 3/33600 190.0 3.865 5.049 4.618 0.000 0.000 0.000 3/33600 200.0 3.614 4.739 4.321 0.000 0.000 0.000 3/33600 210.0 3.395 4.469 4.062 0.000 0.000 0.000 3/33600 220.0 3.202 4.232 3.834 0.000 0.000 0.000 3/33600 230.0 3.031 4.021 3.632 0.000 0.000 0.000 3/33600 240.0 2.879 3.834 3.452 0.000 0.000 0.000 3/33600 250.0 2.742 3.665 3.289 0.000 0.000 0.000 3/33600 260.0 2.618 3.512 3.142 0.000 0.000 0.000 3/33600 270.0 2.506 3.373 3.009 0.000 0.000 0.000 3/33600 280.0 2.404 3.246 2.887 0.000 0.000 0.000 3/33600 290.0 2.310 3.129 2.775 0.000 0.000 0.000 3/33600 300.0 2.223 3.021 2.672 0.000 0.000 0.000 3/33600 310.0 2.144 2.921 2.577 0.000 0.000 0.000 3/33600 320.0 2.070 2.828 2.488 0.000 0.000 0.000 3/33600 330.0 2.001 2.742 2.406 0.000 0.000 0.000 3/33600 340.0 1.937 2.661 2.330 0.000 0.000 0.000 3/33600 350.0 1.877 2.585 2.258 0.000 0.000 0.000 3/33600 360.0 1.821 2.513 2.191 0.000 0.000 0.000 3/33600 370.0 1.769 2.446 2.128 0.000 0.000 0.000 3/33600 380.0 1.719 2.382 2.068 0.000 0.000 0.000 3/33600 390.0 1.672 2.322 2.012 0.000 0.000 0.000 3/33600 400.0 1.628 2.265 1.959 0.000 0.000 0.000 3/33600 410.0 1.587 2.211 1.909 0.000 0.000 0.000 3/33600 420.0 1.547 2.159 1.862 0.000 0.000 0.000 3/33600 430.0 1.509 2.110 1.817 0.000 0.000 0.000 3/33600 440.0 1.474 2.063 1.774 0.000 0.000 0.000 3/33600 450.0 1.440 2.018 1.733 0.000 0.000 0.000 3/33600 460.0 1.407 1.975 1.694 0.000 0.000 0.000 3/33600 470.0 1.376 1.935 1.657 0.000 0.000 0.000 3/33600 480.0 1.346 1.895 1.621 0.000 0.000 0.000 3/33600 490.0 1.318 1.858 1.587 0.000 0.000 0.000 3/33600 500.0 1.291 1.821 1.554 0.000 0.000 0.000 3/33600 510.0 1.265 1.787 1.523 0.000 0.000 0.000 3/33600 520.0 1.240 1.753 1.493 0.000 0.000 0.000 3/33600 530.0 1.216 1.721 1.464 0.000 0.000 0.000 3/33600 540.0 1.193 1.690 1.436 0.000 0.000 0.000 3/33600 550.0 1.171 1.660 1.410 0.000 0.000 0.000 3/33600 560.0 1.150 1.631 1.384 0.000 0.000 0.000 3/33600 570.0 1.129 1.603 1.359 0.000 0.000 0.000 3/33600 580.0 1.109 1.576 1.336 0.000 0.000 0.000 3/33600 590.0 1.090 1.550 1.313 0.000 0.000 0.000 3/33600 600.0 1.072 1.525 1.290 0.000 0.000 0.000 3/33600 610.0 1.054 1.501 1.269 0.000 0.000 0.000 3/33600 620.0 1.037 1.477 1.248 0.000 0.000 0.000 3/33600 630.0 1.020 1.455 1.228 0.000 0.000 0.000 3/33600 640.0 1.004 1.432 1.209 0.000 0.000 0.000 3/33600 650.0 0.988 1.411 1.190 0.000 0.000 0.000 3/33600 660.0 0.973 1.390 1.171 0.000 0.000 0.000 3/33600 670.0 0.958 1.370 1.154 0.000 0.000 0.000 3/33600 680.0 0.944 1.350 1.137 0.000 0.000 0.000 3/33600 690.0 0.930 1.331 1.120 0.000 0.000 0.000 3/33600 700.0 0.917 1.312 1.104 0.000 0.000 0.000 3/33600 710.0 0.904 1.294 1.088 0.000 0.000 0.000 3/33600 720.0 0.891 1.277 1.073 0.000 0.000 0.000 3/33600 730.0 0.879 1.260 1.058 0.000 0.000 0.000 3/33600 740.0 0.867 1.243 1.044 0.000 0.000 0.000 3/33600 750.0 0.855 1.227 1.030 0.000 0.000 0.000 3/33600 760.0 0.844 1.211 1.016 0.000 0.000 0.000 3/33600 770.0 0.833 1.196 1.003 0.000 0.000 0.000 3/33600 780.0 0.822 1.181 0.990 0.000 0.000 0.000 3/33600 790.0 0.811 1.166 0.977 0.000 0.000 0.000 3/33600 800.0 0.801 1.152 0.965 0.000 0.000 0.000 3/33600 810.0 0.791 1.138 0.953 0.000 0.000 0.000 3/33600 820.0 0.782 1.124 0.941 0.000 0.000 0.000 3/33600 830.0 0.772 1.111 0.930 0.000 0.000 0.000 3/33600 840.0 0.763 1.098 0.919 0.000 0.000 0.000 3/33600 850.0 0.754 1.085 0.908 0.000 0.000 0.000 3/33600 860.0 0.745 1.073 0.897 0.000 0.000 0.000 3/33600 870.0 0.736 1.061 0.887 0.000 0.000 0.000 3/33600 880.0 0.728 1.049 0.877 0.000 0.000 0.000 3/33600 890.0 0.720 1.037 0.867 0.000 0.000 0.000 3/33600 900.0 0.712 1.026 0.857 0.000 0.000 0.000 3/33600 910.0 0.704 1.015 0.848 0.000 0.000 0.000 3/33600 920.0 0.696 1.004 0.838 0.000 0.000 0.000 3/33600 930.0 0.689 0.993 0.829 0.000 0.000 0.000 3/33600 940.0 0.681 0.983 0.820 0.000 0.000 0.000 3/33600 950.0 0.674 0.973 0.812 0.000 0.000 0.000 3/33600 960.0 0.667 0.963 0.803 0.000 0.000 0.000 3/33600 970.0 0.660 0.953 0.795 0.000 0.000 0.000 3/33600 980.0 0.653 0.944 0.787 0.000 0.000 0.000 3/33600 990.0 0.647 0.934 0.779 0.000 0.000 0.000 3/33600 1000.0 0.640 0.925 0.771 0.000 0.000 0.000 3/33600 Thermal conductivity related properties were written into "kappa-m5810.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:57:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|