----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 04:27:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.693474741072251 0.000000000000000 0.000000000000000 b 0.000000000000000 5.406685320000000 0.000000000000000 c -5.446092844843275 0.000000000000000 10.405926807796673 Atomic positions (fractional): *1 F 0.29575082050270 0.56209294749684 0.91311300186078 18.998 2 F 0.70424917949730 0.06209294749684 0.58688699813922 18.998 3 F 0.70424917949730 0.43790705250316 0.08688699813922 18.998 4 F 0.29575082050270 0.93790705250316 0.41311300186077 18.998 *5 F 0.72403603988380 0.56405830800971 0.54313015149706 18.998 6 F 0.27596396011620 0.06405830800971 0.95686984850294 18.998 7 F 0.27596396011620 0.43594169199029 0.45686984850294 18.998 8 F 0.72403603988380 0.93594169199029 0.04313015149706 18.998 *9 F 0.47712080732290 0.22537437620389 0.85876117055438 18.998 10 F 0.52287919267710 0.72537437620389 0.64123882944562 18.998 11 F 0.52287919267710 0.77462562379611 0.14123882944562 18.998 12 F 0.47712080732290 0.27462562379611 0.35876117055438 18.998 *13 F 0.97974475087001 0.24655902859063 0.05138348070789 18.998 14 F 0.02025524912999 0.74655902859063 0.44861651929211 18.998 15 F 0.02025524912999 0.75344097140937 0.94861651929211 18.998 16 F 0.97974475087001 0.25344097140937 0.55138348070789 18.998 *17 F 0.27607267181824 0.03962445572710 0.63629316329785 18.998 18 F 0.72392732818176 0.53962445572711 0.86370683670215 18.998 19 F 0.72392732818176 0.96037554427289 0.36370683670215 18.998 20 F 0.27607267181824 0.46037554427290 0.13629316329785 18.998 *21 F 0.25413563078733 0.94692122304875 0.17662402482144 18.998 22 F 0.74586436921267 0.44692122304875 0.32337597517856 18.998 23 F 0.74586436921267 0.05307877695125 0.82337597517856 18.998 24 F 0.25413563078733 0.55307877695125 0.67662402482144 18.998 *25 F 0.03224001072919 0.58908200833677 0.23245026124346 18.998 26 F 0.96775998927081 0.08908200833677 0.26754973875654 18.998 27 F 0.96775998927081 0.41091799166323 0.76754973875654 18.998 28 F 0.03224001072919 0.91091799166323 0.73245026124346 18.998 *29 Er 0.18569827658931 0.23925015892628 0.76418820930878 167.259 30 Er 0.81430172341069 0.73925015892628 0.73581179069122 167.259 31 Er 0.81430172341069 0.76074984107372 0.23581179069122 167.259 32 Er 0.18569827658931 0.26074984107372 0.26418820930878 167.259 *33 Pt 0.72840494702723 0.24210245846956 0.95754205776085 195.084 34 Pt 0.27159505297277 0.74210245846956 0.54245794223915 195.084 35 Pt 0.27159505297277 0.75789754153044 0.04245794223915 195.084 36 Pt 0.72840494702723 0.25789754153044 0.45754205776085 195.084 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.693474741072251 0.000000000000000 0.000000000000000 b 0.000000000000000 5.406685320000000 0.000000000000000 c -5.446092844843275 0.000000000000000 10.405926807796673 Atomic positions (fractional): *1 F 0.29575082050270 0.56209294749684 0.91311300186078 18.998 > 1 2 F 0.70424917949730 0.06209294749684 0.58688699813922 18.998 > 2 3 F 0.70424917949730 0.43790705250316 0.08688699813922 18.998 > 3 4 F 0.29575082050270 0.93790705250316 0.41311300186077 18.998 > 4 *5 F 0.72403603988380 0.56405830800971 0.54313015149706 18.998 > 5 6 F 0.27596396011620 0.06405830800971 0.95686984850294 18.998 > 6 7 F 0.27596396011620 0.43594169199029 0.45686984850294 18.998 > 7 8 F 0.72403603988380 0.93594169199029 0.04313015149706 18.998 > 8 *9 F 0.47712080732290 0.22537437620389 0.85876117055438 18.998 > 9 10 F 0.52287919267710 0.72537437620389 0.64123882944562 18.998 > 10 11 F 0.52287919267710 0.77462562379611 0.14123882944562 18.998 > 11 12 F 0.47712080732290 0.27462562379611 0.35876117055438 18.998 > 12 *13 F 0.97974475087001 0.24655902859063 0.05138348070789 18.998 > 13 14 F 0.02025524912999 0.74655902859063 0.44861651929211 18.998 > 14 15 F 0.02025524912999 0.75344097140937 0.94861651929211 18.998 > 15 16 F 0.97974475087001 0.25344097140937 0.55138348070789 18.998 > 16 *17 F 0.27607267181824 0.03962445572710 0.63629316329785 18.998 > 17 18 F 0.72392732818176 0.53962445572711 0.86370683670215 18.998 > 18 19 F 0.72392732818176 0.96037554427289 0.36370683670215 18.998 > 19 20 F 0.27607267181824 0.46037554427290 0.13629316329785 18.998 > 20 *21 F 0.25413563078733 0.94692122304875 0.17662402482144 18.998 > 21 22 F 0.74586436921267 0.44692122304875 0.32337597517856 18.998 > 22 23 F 0.74586436921267 0.05307877695125 0.82337597517856 18.998 > 23 24 F 0.25413563078733 0.55307877695125 0.67662402482144 18.998 > 24 *25 F 0.03224001072919 0.58908200833677 0.23245026124346 18.998 > 25 26 F 0.96775998927081 0.08908200833677 0.26754973875654 18.998 > 26 27 F 0.96775998927081 0.41091799166323 0.76754973875654 18.998 > 27 28 F 0.03224001072919 0.91091799166323 0.73245026124346 18.998 > 28 *29 Er 0.18569827658931 0.23925015892628 0.76418820930878 167.259 > 29 30 Er 0.81430172341069 0.73925015892628 0.73581179069122 167.259 > 30 31 Er 0.81430172341069 0.76074984107372 0.23581179069122 167.259 > 31 32 Er 0.18569827658931 0.26074984107372 0.26418820930878 167.259 > 32 *33 Pt 0.72840494702723 0.24210245846956 0.95754205776085 195.084 > 33 34 Pt 0.27159505297277 0.74210245846956 0.54245794223915 195.084 > 34 35 Pt 0.27159505297277 0.75789754153044 0.04245794223915 195.084 > 35 36 Pt 0.72840494702723 0.25789754153044 0.45754205776085 195.084 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 17.386949482144502 0.000000000000000 0.000000000000000 b 0.000000000000000 10.813370640000000 0.000000000000000 c -5.446092844843275 0.000000000000000 10.405926807796673 Atomic positions (fractional): *1 F 0.14787541025135 0.28104647374842 0.91311300186078 18.998 > 1 2 F 0.64787541025135 0.28104647374842 0.91311300186078 18.998 > 1 3 F 0.14787541025135 0.78104647374842 0.91311300186078 18.998 > 1 4 F 0.64787541025135 0.78104647374842 0.91311300186078 18.998 > 1 5 F 0.35212458974865 0.03104647374842 0.58688699813922 18.998 > 2 6 F 0.85212458974865 0.03104647374842 0.58688699813922 18.998 > 2 7 F 0.35212458974865 0.53104647374842 0.58688699813922 18.998 > 2 8 F 0.85212458974865 0.53104647374842 0.58688699813922 18.998 > 2 9 F 0.35212458974865 0.21895352625158 0.08688699813922 18.998 > 3 10 F 0.85212458974865 0.21895352625158 0.08688699813922 18.998 > 3 11 F 0.35212458974865 0.71895352625158 0.08688699813922 18.998 > 3 12 F 0.85212458974865 0.71895352625158 0.08688699813922 18.998 > 3 13 F 0.14787541025135 0.46895352625158 0.41311300186077 18.998 > 4 14 F 0.64787541025135 0.46895352625158 0.41311300186077 18.998 > 4 15 F 0.14787541025135 0.96895352625158 0.41311300186077 18.998 > 4 16 F 0.64787541025135 0.96895352625158 0.41311300186077 18.998 > 4 *17 F 0.36201801994190 0.28202915400486 0.54313015149706 18.998 > 5 18 F 0.86201801994190 0.28202915400486 0.54313015149706 18.998 > 5 19 F 0.36201801994190 0.78202915400486 0.54313015149706 18.998 > 5 20 F 0.86201801994190 0.78202915400486 0.54313015149706 18.998 > 5 21 F 0.13798198005810 0.03202915400486 0.95686984850294 18.998 > 6 22 F 0.63798198005810 0.03202915400486 0.95686984850294 18.998 > 6 23 F 0.13798198005810 0.53202915400486 0.95686984850294 18.998 > 6 24 F 0.63798198005810 0.53202915400486 0.95686984850294 18.998 > 6 25 F 0.13798198005810 0.21797084599514 0.45686984850294 18.998 > 7 26 F 0.63798198005810 0.21797084599514 0.45686984850294 18.998 > 7 27 F 0.13798198005810 0.71797084599514 0.45686984850294 18.998 > 7 28 F 0.63798198005810 0.71797084599514 0.45686984850294 18.998 > 7 29 F 0.36201801994190 0.46797084599514 0.04313015149706 18.998 > 8 30 F 0.86201801994190 0.46797084599514 0.04313015149706 18.998 > 8 31 F 0.36201801994190 0.96797084599514 0.04313015149706 18.998 > 8 32 F 0.86201801994190 0.96797084599514 0.04313015149706 18.998 > 8 *33 F 0.23856040366145 0.11268718810195 0.85876117055438 18.998 > 9 34 F 0.73856040366145 0.11268718810195 0.85876117055438 18.998 > 9 35 F 0.23856040366145 0.61268718810195 0.85876117055438 18.998 > 9 36 F 0.73856040366145 0.61268718810195 0.85876117055438 18.998 > 9 37 F 0.26143959633855 0.36268718810195 0.64123882944562 18.998 > 10 38 F 0.76143959633855 0.36268718810195 0.64123882944562 18.998 > 10 39 F 0.26143959633855 0.86268718810195 0.64123882944562 18.998 > 10 40 F 0.76143959633855 0.86268718810195 0.64123882944562 18.998 > 10 41 F 0.26143959633855 0.38731281189805 0.14123882944562 18.998 > 11 42 F 0.76143959633855 0.38731281189805 0.14123882944562 18.998 > 11 43 F 0.26143959633855 0.88731281189805 0.14123882944562 18.998 > 11 44 F 0.76143959633855 0.88731281189805 0.14123882944562 18.998 > 11 45 F 0.23856040366145 0.13731281189805 0.35876117055438 18.998 > 12 46 F 0.73856040366145 0.13731281189805 0.35876117055438 18.998 > 12 47 F 0.23856040366145 0.63731281189805 0.35876117055438 18.998 > 12 48 F 0.73856040366145 0.63731281189805 0.35876117055438 18.998 > 12 *49 F 0.48987237543501 0.12327951429531 0.05138348070789 18.998 > 13 50 F 0.98987237543500 0.12327951429531 0.05138348070789 18.998 > 13 51 F 0.48987237543501 0.62327951429531 0.05138348070789 18.998 > 13 52 F 0.98987237543500 0.62327951429531 0.05138348070789 18.998 > 13 53 F 0.01012762456500 0.37327951429531 0.44861651929211 18.998 > 14 54 F 0.51012762456500 0.37327951429531 0.44861651929211 18.998 > 14 55 F 0.01012762456500 0.87327951429531 0.44861651929211 18.998 > 14 56 F 0.51012762456500 0.87327951429531 0.44861651929211 18.998 > 14 57 F 0.01012762456500 0.37672048570469 0.94861651929211 18.998 > 15 58 F 0.51012762456500 0.37672048570469 0.94861651929211 18.998 > 15 59 F 0.01012762456500 0.87672048570469 0.94861651929211 18.998 > 15 60 F 0.51012762456500 0.87672048570469 0.94861651929211 18.998 > 15 61 F 0.48987237543501 0.12672048570469 0.55138348070789 18.998 > 16 62 F 0.98987237543500 0.12672048570469 0.55138348070789 18.998 > 16 63 F 0.48987237543501 0.62672048570469 0.55138348070789 18.998 > 16 64 F 0.98987237543500 0.62672048570469 0.55138348070789 18.998 > 16 *65 F 0.13803633590912 0.01981222786355 0.63629316329785 18.998 > 17 66 F 0.63803633590912 0.01981222786355 0.63629316329785 18.998 > 17 67 F 0.13803633590912 0.51981222786355 0.63629316329785 18.998 > 17 68 F 0.63803633590912 0.51981222786355 0.63629316329785 18.998 > 17 69 F 0.36196366409088 0.26981222786355 0.86370683670215 18.998 > 18 70 F 0.86196366409088 0.26981222786355 0.86370683670215 18.998 > 18 71 F 0.36196366409088 0.76981222786355 0.86370683670215 18.998 > 18 72 F 0.86196366409088 0.76981222786355 0.86370683670215 18.998 > 18 73 F 0.36196366409088 0.48018777213645 0.36370683670215 18.998 > 19 74 F 0.86196366409088 0.48018777213645 0.36370683670215 18.998 > 19 75 F 0.36196366409088 0.98018777213645 0.36370683670215 18.998 > 19 76 F 0.86196366409088 0.98018777213645 0.36370683670215 18.998 > 19 77 F 0.13803633590912 0.23018777213645 0.13629316329785 18.998 > 20 78 F 0.63803633590912 0.23018777213645 0.13629316329785 18.998 > 20 79 F 0.13803633590912 0.73018777213645 0.13629316329785 18.998 > 20 80 F 0.63803633590912 0.73018777213645 0.13629316329785 18.998 > 20 *81 F 0.12706781539367 0.47346061152437 0.17662402482144 18.998 > 21 82 F 0.62706781539367 0.47346061152437 0.17662402482144 18.998 > 21 83 F 0.12706781539367 0.97346061152437 0.17662402482144 18.998 > 21 84 F 0.62706781539367 0.97346061152437 0.17662402482144 18.998 > 21 85 F 0.37293218460633 0.22346061152437 0.32337597517856 18.998 > 22 86 F 0.87293218460633 0.22346061152437 0.32337597517856 18.998 > 22 87 F 0.37293218460633 0.72346061152437 0.32337597517856 18.998 > 22 88 F 0.87293218460633 0.72346061152437 0.32337597517856 18.998 > 22 89 F 0.37293218460633 0.02653938847563 0.82337597517856 18.998 > 23 90 F 0.87293218460633 0.02653938847563 0.82337597517856 18.998 > 23 91 F 0.37293218460633 0.52653938847563 0.82337597517856 18.998 > 23 92 F 0.87293218460633 0.52653938847563 0.82337597517856 18.998 > 23 93 F 0.12706781539367 0.27653938847563 0.67662402482144 18.998 > 24 94 F 0.62706781539367 0.27653938847563 0.67662402482144 18.998 > 24 95 F 0.12706781539367 0.77653938847563 0.67662402482144 18.998 > 24 96 F 0.62706781539367 0.77653938847563 0.67662402482144 18.998 > 24 *97 F 0.01612000536459 0.29454100416839 0.23245026124346 18.998 > 25 98 F 0.51612000536459 0.29454100416839 0.23245026124346 18.998 > 25 99 F 0.01612000536459 0.79454100416839 0.23245026124346 18.998 > 25 100 F 0.51612000536459 0.79454100416839 0.23245026124346 18.998 > 25 101 F 0.48387999463541 0.04454100416839 0.26754973875654 18.998 > 26 102 F 0.98387999463541 0.04454100416839 0.26754973875654 18.998 > 26 103 F 0.48387999463541 0.54454100416839 0.26754973875654 18.998 > 26 104 F 0.98387999463541 0.54454100416839 0.26754973875654 18.998 > 26 105 F 0.48387999463541 0.20545899583161 0.76754973875654 18.998 > 27 106 F 0.98387999463541 0.20545899583161 0.76754973875654 18.998 > 27 107 F 0.48387999463541 0.70545899583161 0.76754973875654 18.998 > 27 108 F 0.98387999463541 0.70545899583161 0.76754973875654 18.998 > 27 109 F 0.01612000536459 0.45545899583161 0.73245026124346 18.998 > 28 110 F 0.51612000536459 0.45545899583161 0.73245026124346 18.998 > 28 111 F 0.01612000536459 0.95545899583161 0.73245026124346 18.998 > 28 112 F 0.51612000536459 0.95545899583161 0.73245026124346 18.998 > 28 *113 Er 0.09284913829466 0.11962507946314 0.76418820930878 167.259 > 29 114 Er 0.59284913829466 0.11962507946314 0.76418820930878 167.259 > 29 115 Er 0.09284913829466 0.61962507946314 0.76418820930878 167.259 > 29 116 Er 0.59284913829466 0.61962507946314 0.76418820930878 167.259 > 29 117 Er 0.40715086170534 0.36962507946314 0.73581179069122 167.259 > 30 118 Er 0.90715086170534 0.36962507946314 0.73581179069122 167.259 > 30 119 Er 0.40715086170534 0.86962507946314 0.73581179069122 167.259 > 30 120 Er 0.90715086170534 0.86962507946314 0.73581179069122 167.259 > 30 121 Er 0.40715086170534 0.38037492053686 0.23581179069122 167.259 > 31 122 Er 0.90715086170534 0.38037492053686 0.23581179069122 167.259 > 31 123 Er 0.40715086170534 0.88037492053686 0.23581179069122 167.259 > 31 124 Er 0.90715086170534 0.88037492053686 0.23581179069122 167.259 > 31 125 Er 0.09284913829466 0.13037492053686 0.26418820930878 167.259 > 32 126 Er 0.59284913829466 0.13037492053686 0.26418820930878 167.259 > 32 127 Er 0.09284913829466 0.63037492053686 0.26418820930878 167.259 > 32 128 Er 0.59284913829466 0.63037492053686 0.26418820930878 167.259 > 32 *129 Pt 0.36420247351361 0.12105122923478 0.95754205776085 195.084 > 33 130 Pt 0.86420247351361 0.12105122923478 0.95754205776085 195.084 > 33 131 Pt 0.36420247351361 0.62105122923478 0.95754205776085 195.084 > 33 132 Pt 0.86420247351361 0.62105122923478 0.95754205776085 195.084 > 33 133 Pt 0.13579752648639 0.37105122923478 0.54245794223915 195.084 > 34 134 Pt 0.63579752648639 0.37105122923478 0.54245794223915 195.084 > 34 135 Pt 0.13579752648639 0.87105122923478 0.54245794223915 195.084 > 34 136 Pt 0.63579752648639 0.87105122923478 0.54245794223915 195.084 > 34 137 Pt 0.13579752648639 0.37894877076522 0.04245794223915 195.084 > 35 138 Pt 0.63579752648639 0.37894877076522 0.04245794223915 195.084 > 35 139 Pt 0.13579752648639 0.87894877076522 0.04245794223915 195.084 > 35 140 Pt 0.63579752648639 0.87894877076522 0.04245794223915 195.084 > 35 141 Pt 0.36420247351361 0.12894877076522 0.45754205776085 195.084 > 36 142 Pt 0.86420247351361 0.12894877076522 0.45754205776085 195.084 > 36 143 Pt 0.36420247351361 0.62894877076522 0.45754205776085 195.084 > 36 144 Pt 0.86420247351361 0.62894877076522 0.45754205776085 195.084 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8832725 0.0000000 0.0060327 0.0000000 2.8658612 0.0000000 0.0060334 0.0000000 2.8840202 -------------------------- Born effective charges -------------------------- 1 F -0.5440064 0.3826325 0.4330116 0.2433721 -1.1415360 -0.7492409 0.2954938 -0.8087371 -1.2389597 2 F -0.5440064 -0.3826325 0.4330116 -0.2433721 -1.1415360 0.7492409 0.2954938 0.8087371 -1.2389597 3 F -0.5440064 0.3826325 0.4330116 0.2433721 -1.1415360 -0.7492409 0.2954938 -0.8087371 -1.2389597 4 F -0.5440064 -0.3826325 0.4330116 -0.2433721 -1.1415360 0.7492409 0.2954938 0.8087371 -1.2389597 5 F -0.4544425 0.3357334 0.3081425 0.2923260 -1.3482918 -0.9612346 0.1952500 -0.7727039 -1.1899489 6 F -0.4544425 -0.3357334 0.3081425 -0.2923260 -1.3482918 0.9612346 0.1952500 0.7727039 -1.1899489 7 F -0.4544425 0.3357334 0.3081425 0.2923260 -1.3482918 -0.9612346 0.1952500 -0.7727039 -1.1899489 8 F -0.4544425 -0.3357334 0.3081425 -0.2923260 -1.3482918 0.9612346 0.1952500 0.7727039 -1.1899489 9 F -2.0657160 -0.0048909 -0.8965200 -0.0770928 -0.4148057 -0.0582323 -0.9612550 -0.0230991 -0.9604667 10 F -2.0657160 0.0048909 -0.8965200 0.0770928 -0.4148057 0.0582323 -0.9612550 0.0230991 -0.9604667 11 F -2.0657160 -0.0048909 -0.8965200 -0.0770928 -0.4148057 -0.0582323 -0.9612550 -0.0230991 -0.9604667 12 F -2.0657160 0.0048909 -0.8965200 0.0770928 -0.4148057 0.0582323 -0.9612550 0.0230991 -0.9604667 13 F -1.1816556 0.0186606 -0.8340951 -0.0493069 -0.3429542 -0.0531761 -0.6418084 -0.0109332 -1.1963167 14 F -1.1816556 -0.0186606 -0.8340951 0.0493069 -0.3429542 0.0531761 -0.6418084 0.0109332 -1.1963167 15 F -1.1816556 0.0186606 -0.8340951 -0.0493069 -0.3429542 -0.0531761 -0.6418084 -0.0109332 -1.1963167 16 F -1.1816556 -0.0186606 -0.8340951 0.0493069 -0.3429542 0.0531761 -0.6418084 0.0109332 -1.1963167 17 F -0.7680215 0.5034188 0.3654110 0.6450389 -1.3692689 -0.7920504 0.4533493 -0.6942685 -0.9489362 18 F -0.7680215 -0.5034188 0.3654110 -0.6450389 -1.3692689 0.7920504 0.4533493 0.6942685 -0.9489362 19 F -0.7680215 0.5034188 0.3654110 0.6450389 -1.3692689 -0.7920504 0.4533493 -0.6942685 -0.9489362 20 F -0.7680215 -0.5034188 0.3654110 -0.6450389 -1.3692689 0.7920504 0.4533493 0.6942685 -0.9489362 21 F -0.8857880 0.6671204 0.5525317 0.6339278 -1.2928800 -0.7296194 0.6509912 -0.8599692 -1.2010471 22 F -0.8857880 -0.6671204 0.5525317 -0.6339278 -1.2928800 0.7296194 0.6509912 0.8599692 -1.2010471 23 F -0.8857880 0.6671204 0.5525317 0.6339278 -1.2928800 -0.7296194 0.6509912 -0.8599692 -1.2010471 24 F -0.8857880 -0.6671204 0.5525317 -0.6339278 -1.2928800 0.7296194 0.6509912 0.8599692 -1.2010471 25 F -1.5030613 0.6891562 -0.0844293 0.7360946 -1.4237421 0.0433971 -0.0292535 0.0113161 -0.7786002 26 F -1.5030613 -0.6891562 -0.0844293 -0.7360946 -1.4237421 -0.0433971 -0.0292535 -0.0113161 -0.7786002 27 F -1.5030613 0.6891562 -0.0844293 0.7360946 -1.4237421 0.0433971 -0.0292535 0.0113161 -0.7786002 28 F -1.5030613 -0.6891562 -0.0844293 -0.7360946 -1.4237421 -0.0433971 -0.0292535 -0.0113161 -0.7786002 29 Er 4.3418629 0.1692493 0.1659693 -0.0729875 4.3005793 -0.0429635 -0.0166189 -0.0470133 4.4662936 30 Er 4.3418629 -0.1692493 0.1659693 0.0729875 4.3005793 0.0429635 -0.0166189 0.0470133 4.4662936 31 Er 4.3418629 0.1692493 0.1659693 -0.0729875 4.3005793 -0.0429635 -0.0166189 -0.0470133 4.4662936 32 Er 4.3418629 -0.1692493 0.1659693 0.0729875 4.3005793 0.0429635 -0.0166189 0.0470133 4.4662936 33 Pt 3.0608285 0.0124420 -0.0100217 -0.0557926 3.0328993 0.0827851 0.0538514 -0.0885553 3.0479819 34 Pt 3.0608285 -0.0124420 -0.0100217 0.0557926 3.0328993 -0.0827851 0.0538514 0.0885553 3.0479819 35 Pt 3.0608285 0.0124420 -0.0100217 -0.0557926 3.0328993 0.0827851 0.0538514 -0.0885553 3.0479819 36 Pt 3.0608285 -0.0124420 -0.0100217 0.0557926 3.0328993 -0.0827851 0.0538514 0.0885553 3.0479819 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5994 Number of blocks in projector: 5994 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: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5994, 5914), data: False |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1120 - Time: 2.228 Solver_block: 200 / 1120 - Time: 2.060 Solver_block: 300 / 1120 - Time: 2.067 Solver_block: 400 / 1120 - Time: 1.832 Solver_block: 500 / 1120 - Time: 1.804 Solver_block: 600 / 1120 - Time: 2.348 Solver_block: 700 / 1120 - Time: 2.088 Solver_block: 800 / 1120 - Time: 2.037 Solver_block: 900 / 1120 - Time: 1.751 Solver_block: 1000 / 1120 - Time: 2.619 Solver_block: 1100 / 1120 - Time: 1.843 Solver_block: 1120 / 1120 - Time: 0.614 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 24.231 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5994 Number of blocks in projector: 5994 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: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5994, 5914), data: False |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 04:28:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:28:46]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.693474741072251 0.000000000000000 0.000000000000000 b 0.000000000000000 5.406685320000000 0.000000000000000 c -5.446092844843275 0.000000000000000 10.405926807796673 Atomic positions (fractional): 1 F 0.29575082050270 0.56209294749684 0.91311300186078 18.998 2 F 0.70424917949730 0.06209294749684 0.58688699813922 18.998 3 F 0.70424917949730 0.43790705250316 0.08688699813922 18.998 4 F 0.29575082050270 0.93790705250316 0.41311300186077 18.998 5 F 0.72403603988380 0.56405830800971 0.54313015149706 18.998 6 F 0.27596396011620 0.06405830800971 0.95686984850294 18.998 7 F 0.27596396011620 0.43594169199029 0.45686984850294 18.998 8 F 0.72403603988380 0.93594169199029 0.04313015149706 18.998 9 F 0.47712080732290 0.22537437620389 0.85876117055438 18.998 10 F 0.52287919267710 0.72537437620389 0.64123882944562 18.998 11 F 0.52287919267710 0.77462562379611 0.14123882944562 18.998 12 F 0.47712080732290 0.27462562379611 0.35876117055438 18.998 13 F 0.97974475087001 0.24655902859063 0.05138348070789 18.998 14 F 0.02025524912999 0.74655902859063 0.44861651929211 18.998 15 F 0.02025524912999 0.75344097140937 0.94861651929211 18.998 16 F 0.97974475087001 0.25344097140937 0.55138348070789 18.998 17 F 0.27607267181824 0.03962445572710 0.63629316329785 18.998 18 F 0.72392732818176 0.53962445572711 0.86370683670215 18.998 19 F 0.72392732818176 0.96037554427289 0.36370683670215 18.998 20 F 0.27607267181824 0.46037554427290 0.13629316329785 18.998 21 F 0.25413563078733 0.94692122304875 0.17662402482144 18.998 22 F 0.74586436921267 0.44692122304875 0.32337597517856 18.998 23 F 0.74586436921267 0.05307877695125 0.82337597517856 18.998 24 F 0.25413563078733 0.55307877695125 0.67662402482144 18.998 25 F 0.03224001072919 0.58908200833677 0.23245026124346 18.998 26 F 0.96775998927081 0.08908200833677 0.26754973875654 18.998 27 F 0.96775998927081 0.41091799166323 0.76754973875654 18.998 28 F 0.03224001072919 0.91091799166323 0.73245026124346 18.998 29 Er 0.18569827658931 0.23925015892628 0.76418820930878 167.259 30 Er 0.81430172341069 0.73925015892628 0.73581179069122 167.259 31 Er 0.81430172341069 0.76074984107372 0.23581179069122 167.259 32 Er 0.18569827658931 0.26074984107372 0.26418820930878 167.259 33 Pt 0.72840494702723 0.24210245846956 0.95754205776085 195.084 34 Pt 0.27159505297277 0.74210245846956 0.54245794223915 195.084 35 Pt 0.27159505297277 0.75789754153044 0.04245794223915 195.084 36 Pt 0.72840494702723 0.25789754153044 0.45754205776085 195.084 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.386949482144502 0.000000000000000 0.000000000000000 b 0.000000000000000 10.813370640000000 0.000000000000000 c -5.446092844843275 0.000000000000000 10.405926807796673 Atomic positions (fractional): 1 F 0.14787541025135 0.28104647374842 0.91311300186078 18.998 > 1 2 F 0.64787541025135 0.28104647374842 0.91311300186078 18.998 > 1 3 F 0.14787541025135 0.78104647374842 0.91311300186078 18.998 > 1 4 F 0.64787541025135 0.78104647374842 0.91311300186078 18.998 > 1 5 F 0.35212458974865 0.03104647374842 0.58688699813922 18.998 > 5 6 F 0.85212458974865 0.03104647374842 0.58688699813922 18.998 > 5 7 F 0.35212458974865 0.53104647374842 0.58688699813922 18.998 > 5 8 F 0.85212458974865 0.53104647374842 0.58688699813922 18.998 > 5 9 F 0.35212458974865 0.21895352625158 0.08688699813922 18.998 > 9 10 F 0.85212458974865 0.21895352625158 0.08688699813922 18.998 > 9 11 F 0.35212458974865 0.71895352625158 0.08688699813922 18.998 > 9 12 F 0.85212458974865 0.71895352625158 0.08688699813922 18.998 > 9 13 F 0.14787541025135 0.46895352625158 0.41311300186077 18.998 > 13 14 F 0.64787541025135 0.46895352625158 0.41311300186077 18.998 > 13 15 F 0.14787541025135 0.96895352625158 0.41311300186077 18.998 > 13 16 F 0.64787541025135 0.96895352625158 0.41311300186077 18.998 > 13 17 F 0.36201801994190 0.28202915400486 0.54313015149706 18.998 > 17 18 F 0.86201801994190 0.28202915400486 0.54313015149706 18.998 > 17 19 F 0.36201801994190 0.78202915400486 0.54313015149706 18.998 > 17 20 F 0.86201801994190 0.78202915400486 0.54313015149706 18.998 > 17 21 F 0.13798198005810 0.03202915400486 0.95686984850294 18.998 > 21 22 F 0.63798198005810 0.03202915400486 0.95686984850294 18.998 > 21 23 F 0.13798198005810 0.53202915400486 0.95686984850294 18.998 > 21 24 F 0.63798198005810 0.53202915400486 0.95686984850294 18.998 > 21 25 F 0.13798198005810 0.21797084599514 0.45686984850294 18.998 > 25 26 F 0.63798198005810 0.21797084599514 0.45686984850294 18.998 > 25 27 F 0.13798198005810 0.71797084599514 0.45686984850294 18.998 > 25 28 F 0.63798198005810 0.71797084599514 0.45686984850294 18.998 > 25 29 F 0.36201801994190 0.46797084599514 0.04313015149706 18.998 > 29 30 F 0.86201801994190 0.46797084599514 0.04313015149706 18.998 > 29 31 F 0.36201801994190 0.96797084599514 0.04313015149706 18.998 > 29 32 F 0.86201801994190 0.96797084599514 0.04313015149706 18.998 > 29 33 F 0.23856040366145 0.11268718810195 0.85876117055438 18.998 > 33 34 F 0.73856040366145 0.11268718810195 0.85876117055438 18.998 > 33 35 F 0.23856040366145 0.61268718810195 0.85876117055438 18.998 > 33 36 F 0.73856040366145 0.61268718810195 0.85876117055438 18.998 > 33 37 F 0.26143959633855 0.36268718810195 0.64123882944562 18.998 > 37 38 F 0.76143959633855 0.36268718810195 0.64123882944562 18.998 > 37 39 F 0.26143959633855 0.86268718810195 0.64123882944562 18.998 > 37 40 F 0.76143959633855 0.86268718810195 0.64123882944562 18.998 > 37 41 F 0.26143959633855 0.38731281189805 0.14123882944562 18.998 > 41 42 F 0.76143959633855 0.38731281189805 0.14123882944562 18.998 > 41 43 F 0.26143959633855 0.88731281189805 0.14123882944562 18.998 > 41 44 F 0.76143959633855 0.88731281189805 0.14123882944562 18.998 > 41 45 F 0.23856040366145 0.13731281189805 0.35876117055438 18.998 > 45 46 F 0.73856040366145 0.13731281189805 0.35876117055438 18.998 > 45 47 F 0.23856040366145 0.63731281189805 0.35876117055438 18.998 > 45 48 F 0.73856040366145 0.63731281189805 0.35876117055438 18.998 > 45 49 F 0.48987237543501 0.12327951429531 0.05138348070789 18.998 > 49 50 F 0.98987237543500 0.12327951429531 0.05138348070789 18.998 > 49 51 F 0.48987237543501 0.62327951429531 0.05138348070789 18.998 > 49 52 F 0.98987237543500 0.62327951429531 0.05138348070789 18.998 > 49 53 F 0.01012762456500 0.37327951429531 0.44861651929211 18.998 > 53 54 F 0.51012762456500 0.37327951429531 0.44861651929211 18.998 > 53 55 F 0.01012762456500 0.87327951429531 0.44861651929211 18.998 > 53 56 F 0.51012762456500 0.87327951429531 0.44861651929211 18.998 > 53 57 F 0.01012762456500 0.37672048570469 0.94861651929211 18.998 > 57 58 F 0.51012762456500 0.37672048570469 0.94861651929211 18.998 > 57 59 F 0.01012762456500 0.87672048570469 0.94861651929211 18.998 > 57 60 F 0.51012762456500 0.87672048570469 0.94861651929211 18.998 > 57 61 F 0.48987237543501 0.12672048570469 0.55138348070789 18.998 > 61 62 F 0.98987237543500 0.12672048570469 0.55138348070789 18.998 > 61 63 F 0.48987237543501 0.62672048570469 0.55138348070789 18.998 > 61 64 F 0.98987237543500 0.62672048570469 0.55138348070789 18.998 > 61 65 F 0.13803633590912 0.01981222786355 0.63629316329785 18.998 > 65 66 F 0.63803633590912 0.01981222786355 0.63629316329785 18.998 > 65 67 F 0.13803633590912 0.51981222786355 0.63629316329785 18.998 > 65 68 F 0.63803633590912 0.51981222786355 0.63629316329785 18.998 > 65 69 F 0.36196366409088 0.26981222786355 0.86370683670215 18.998 > 69 70 F 0.86196366409088 0.26981222786355 0.86370683670215 18.998 > 69 71 F 0.36196366409088 0.76981222786355 0.86370683670215 18.998 > 69 72 F 0.86196366409088 0.76981222786355 0.86370683670215 18.998 > 69 73 F 0.36196366409088 0.48018777213645 0.36370683670215 18.998 > 73 74 F 0.86196366409088 0.48018777213645 0.36370683670215 18.998 > 73 75 F 0.36196366409088 0.98018777213645 0.36370683670215 18.998 > 73 76 F 0.86196366409088 0.98018777213645 0.36370683670215 18.998 > 73 77 F 0.13803633590912 0.23018777213645 0.13629316329785 18.998 > 77 78 F 0.63803633590912 0.23018777213645 0.13629316329785 18.998 > 77 79 F 0.13803633590912 0.73018777213645 0.13629316329785 18.998 > 77 80 F 0.63803633590912 0.73018777213645 0.13629316329785 18.998 > 77 81 F 0.12706781539367 0.47346061152437 0.17662402482144 18.998 > 81 82 F 0.62706781539367 0.47346061152437 0.17662402482144 18.998 > 81 83 F 0.12706781539367 0.97346061152437 0.17662402482144 18.998 > 81 84 F 0.62706781539367 0.97346061152437 0.17662402482144 18.998 > 81 85 F 0.37293218460633 0.22346061152437 0.32337597517856 18.998 > 85 86 F 0.87293218460633 0.22346061152437 0.32337597517856 18.998 > 85 87 F 0.37293218460633 0.72346061152437 0.32337597517856 18.998 > 85 88 F 0.87293218460633 0.72346061152437 0.32337597517856 18.998 > 85 89 F 0.37293218460633 0.02653938847563 0.82337597517856 18.998 > 89 90 F 0.87293218460633 0.02653938847563 0.82337597517856 18.998 > 89 91 F 0.37293218460633 0.52653938847563 0.82337597517856 18.998 > 89 92 F 0.87293218460633 0.52653938847563 0.82337597517856 18.998 > 89 93 F 0.12706781539367 0.27653938847563 0.67662402482144 18.998 > 93 94 F 0.62706781539367 0.27653938847563 0.67662402482144 18.998 > 93 95 F 0.12706781539367 0.77653938847563 0.67662402482144 18.998 > 93 96 F 0.62706781539367 0.77653938847563 0.67662402482144 18.998 > 93 97 F 0.01612000536459 0.29454100416839 0.23245026124346 18.998 > 97 98 F 0.51612000536459 0.29454100416839 0.23245026124346 18.998 > 97 99 F 0.01612000536459 0.79454100416839 0.23245026124346 18.998 > 97 100 F 0.51612000536459 0.79454100416839 0.23245026124346 18.998 > 97 101 F 0.48387999463541 0.04454100416839 0.26754973875654 18.998 > 101 102 F 0.98387999463541 0.04454100416839 0.26754973875654 18.998 > 101 103 F 0.48387999463541 0.54454100416839 0.26754973875654 18.998 > 101 104 F 0.98387999463541 0.54454100416839 0.26754973875654 18.998 > 101 105 F 0.48387999463541 0.20545899583161 0.76754973875654 18.998 > 105 106 F 0.98387999463541 0.20545899583161 0.76754973875654 18.998 > 105 107 F 0.48387999463541 0.70545899583161 0.76754973875654 18.998 > 105 108 F 0.98387999463541 0.70545899583161 0.76754973875654 18.998 > 105 109 F 0.01612000536459 0.45545899583161 0.73245026124346 18.998 > 109 110 F 0.51612000536459 0.45545899583161 0.73245026124346 18.998 > 109 111 F 0.01612000536459 0.95545899583161 0.73245026124346 18.998 > 109 112 F 0.51612000536459 0.95545899583161 0.73245026124346 18.998 > 109 113 Er 0.09284913829466 0.11962507946314 0.76418820930878 167.259 > 113 114 Er 0.59284913829466 0.11962507946314 0.76418820930878 167.259 > 113 115 Er 0.09284913829466 0.61962507946314 0.76418820930878 167.259 > 113 116 Er 0.59284913829466 0.61962507946314 0.76418820930878 167.259 > 113 117 Er 0.40715086170534 0.36962507946314 0.73581179069122 167.259 > 117 118 Er 0.90715086170534 0.36962507946314 0.73581179069122 167.259 > 117 119 Er 0.40715086170534 0.86962507946314 0.73581179069122 167.259 > 117 120 Er 0.90715086170534 0.86962507946314 0.73581179069122 167.259 > 117 121 Er 0.40715086170534 0.38037492053686 0.23581179069122 167.259 > 121 122 Er 0.90715086170534 0.38037492053686 0.23581179069122 167.259 > 121 123 Er 0.40715086170534 0.88037492053686 0.23581179069122 167.259 > 121 124 Er 0.90715086170534 0.88037492053686 0.23581179069122 167.259 > 121 125 Er 0.09284913829466 0.13037492053686 0.26418820930878 167.259 > 125 126 Er 0.59284913829466 0.13037492053686 0.26418820930878 167.259 > 125 127 Er 0.09284913829466 0.63037492053686 0.26418820930878 167.259 > 125 128 Er 0.59284913829466 0.63037492053686 0.26418820930878 167.259 > 125 129 Pt 0.36420247351361 0.12105122923478 0.95754205776085 195.084 > 129 130 Pt 0.86420247351361 0.12105122923478 0.95754205776085 195.084 > 129 131 Pt 0.36420247351361 0.62105122923478 0.95754205776085 195.084 > 129 132 Pt 0.86420247351361 0.62105122923478 0.95754205776085 195.084 > 129 133 Pt 0.13579752648639 0.37105122923478 0.54245794223915 195.084 > 133 134 Pt 0.63579752648639 0.37105122923478 0.54245794223915 195.084 > 133 135 Pt 0.13579752648639 0.87105122923478 0.54245794223915 195.084 > 133 136 Pt 0.63579752648639 0.87105122923478 0.54245794223915 195.084 > 133 137 Pt 0.13579752648639 0.37894877076522 0.04245794223915 195.084 > 137 138 Pt 0.63579752648639 0.37894877076522 0.04245794223915 195.084 > 137 139 Pt 0.13579752648639 0.87894877076522 0.04245794223915 195.084 > 137 140 Pt 0.63579752648639 0.87894877076522 0.04245794223915 195.084 > 137 141 Pt 0.36420247351361 0.12894877076522 0.45754205776085 195.084 > 141 142 Pt 0.86420247351361 0.12894877076522 0.45754205776085 195.084 > 141 143 Pt 0.36420247351361 0.62894877076522 0.45754205776085 195.084 > 141 144 Pt 0.86420247351361 0.62894877076522 0.45754205776085 195.084 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8832725 0.0000000 0.0060327 0.0000000 2.8658612 0.0000000 0.0060334 0.0000000 2.8840202 -------------------------- Born effective charges -------------------------- 1 F -0.5440064 0.3826325 0.4330116 0.2433721 -1.1415360 -0.7492409 0.2954938 -0.8087371 -1.2389597 2 F -0.5440064 -0.3826325 0.4330116 -0.2433721 -1.1415360 0.7492409 0.2954938 0.8087371 -1.2389597 3 F -0.5440064 0.3826325 0.4330116 0.2433721 -1.1415360 -0.7492409 0.2954938 -0.8087371 -1.2389597 4 F -0.5440064 -0.3826325 0.4330116 -0.2433721 -1.1415360 0.7492409 0.2954938 0.8087371 -1.2389597 5 F -0.4544425 0.3357334 0.3081425 0.2923260 -1.3482918 -0.9612346 0.1952500 -0.7727039 -1.1899489 6 F -0.4544425 -0.3357334 0.3081425 -0.2923260 -1.3482918 0.9612346 0.1952500 0.7727039 -1.1899489 7 F -0.4544425 0.3357334 0.3081425 0.2923260 -1.3482918 -0.9612346 0.1952500 -0.7727039 -1.1899489 8 F -0.4544425 -0.3357334 0.3081425 -0.2923260 -1.3482918 0.9612346 0.1952500 0.7727039 -1.1899489 9 F -2.0657160 -0.0048909 -0.8965200 -0.0770928 -0.4148057 -0.0582323 -0.9612550 -0.0230991 -0.9604667 10 F -2.0657160 0.0048909 -0.8965200 0.0770928 -0.4148057 0.0582323 -0.9612550 0.0230991 -0.9604667 11 F -2.0657160 -0.0048909 -0.8965200 -0.0770928 -0.4148057 -0.0582323 -0.9612550 -0.0230991 -0.9604667 12 F -2.0657160 0.0048909 -0.8965200 0.0770928 -0.4148057 0.0582323 -0.9612550 0.0230991 -0.9604667 13 F -1.1816556 0.0186606 -0.8340951 -0.0493069 -0.3429542 -0.0531761 -0.6418084 -0.0109332 -1.1963167 14 F -1.1816556 -0.0186606 -0.8340951 0.0493069 -0.3429542 0.0531761 -0.6418084 0.0109332 -1.1963167 15 F -1.1816556 0.0186606 -0.8340951 -0.0493069 -0.3429542 -0.0531761 -0.6418084 -0.0109332 -1.1963167 16 F -1.1816556 -0.0186606 -0.8340951 0.0493069 -0.3429542 0.0531761 -0.6418084 0.0109332 -1.1963167 17 F -0.7680215 0.5034188 0.3654110 0.6450389 -1.3692689 -0.7920504 0.4533493 -0.6942685 -0.9489362 18 F -0.7680215 -0.5034188 0.3654110 -0.6450389 -1.3692689 0.7920504 0.4533493 0.6942685 -0.9489362 19 F -0.7680215 0.5034188 0.3654110 0.6450389 -1.3692689 -0.7920504 0.4533493 -0.6942685 -0.9489362 20 F -0.7680215 -0.5034188 0.3654110 -0.6450389 -1.3692689 0.7920504 0.4533493 0.6942685 -0.9489362 21 F -0.8857880 0.6671204 0.5525317 0.6339278 -1.2928800 -0.7296194 0.6509912 -0.8599692 -1.2010471 22 F -0.8857880 -0.6671204 0.5525317 -0.6339278 -1.2928800 0.7296194 0.6509912 0.8599692 -1.2010471 23 F -0.8857880 0.6671204 0.5525317 0.6339278 -1.2928800 -0.7296194 0.6509912 -0.8599692 -1.2010471 24 F -0.8857880 -0.6671204 0.5525317 -0.6339278 -1.2928800 0.7296194 0.6509912 0.8599692 -1.2010471 25 F -1.5030613 0.6891562 -0.0844293 0.7360946 -1.4237421 0.0433971 -0.0292535 0.0113161 -0.7786002 26 F -1.5030613 -0.6891562 -0.0844293 -0.7360946 -1.4237421 -0.0433971 -0.0292535 -0.0113161 -0.7786002 27 F -1.5030613 0.6891562 -0.0844293 0.7360946 -1.4237421 0.0433971 -0.0292535 0.0113161 -0.7786002 28 F -1.5030613 -0.6891562 -0.0844293 -0.7360946 -1.4237421 -0.0433971 -0.0292535 -0.0113161 -0.7786002 29 Er 4.3418629 0.1692493 0.1659693 -0.0729875 4.3005793 -0.0429635 -0.0166189 -0.0470133 4.4662936 30 Er 4.3418629 -0.1692493 0.1659693 0.0729875 4.3005793 0.0429635 -0.0166189 0.0470133 4.4662936 31 Er 4.3418629 0.1692493 0.1659693 -0.0729875 4.3005793 -0.0429635 -0.0166189 -0.0470133 4.4662936 32 Er 4.3418629 -0.1692493 0.1659693 0.0729875 4.3005793 0.0429635 -0.0166189 0.0470133 4.4662936 33 Pt 3.0608285 0.0124420 -0.0100217 -0.0557926 3.0328993 0.0827851 0.0538514 -0.0885553 3.0479819 34 Pt 3.0608285 -0.0124420 -0.0100217 0.0557926 3.0328993 -0.0827851 0.0538514 0.0885553 3.0479819 35 Pt 3.0608285 0.0124420 -0.0100217 -0.0557926 3.0328993 0.0827851 0.0538514 -0.0885553 3.0479819 36 Pt 3.0608285 -0.0124420 -0.0100217 0.0557926 3.0328993 -0.0827851 0.0538514 0.0885553 3.0479819 ---------------------------------------------------------------------------- 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Computing fc3[ 33, 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Computing fc3[ 113, 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Computing fc3[ 129, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (yx) 0.00000001 (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 04:29:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:29:51]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.693474741072251 0.000000000000000 0.000000000000000 b 0.000000000000000 5.406685320000000 0.000000000000000 c -5.446092844843275 0.000000000000000 10.405926807796673 Atomic positions (fractional): 1 F 0.29575082050270 0.56209294749684 0.91311300186078 18.998 2 F 0.70424917949730 0.06209294749684 0.58688699813922 18.998 3 F 0.70424917949730 0.43790705250316 0.08688699813922 18.998 4 F 0.29575082050270 0.93790705250316 0.41311300186077 18.998 5 F 0.72403603988380 0.56405830800971 0.54313015149706 18.998 6 F 0.27596396011620 0.06405830800971 0.95686984850294 18.998 7 F 0.27596396011620 0.43594169199029 0.45686984850294 18.998 8 F 0.72403603988380 0.93594169199029 0.04313015149706 18.998 9 F 0.47712080732290 0.22537437620389 0.85876117055438 18.998 10 F 0.52287919267710 0.72537437620389 0.64123882944562 18.998 11 F 0.52287919267710 0.77462562379611 0.14123882944562 18.998 12 F 0.47712080732290 0.27462562379611 0.35876117055438 18.998 13 F 0.97974475087001 0.24655902859063 0.05138348070789 18.998 14 F 0.02025524912999 0.74655902859063 0.44861651929211 18.998 15 F 0.02025524912999 0.75344097140937 0.94861651929211 18.998 16 F 0.97974475087001 0.25344097140937 0.55138348070789 18.998 17 F 0.27607267181824 0.03962445572710 0.63629316329785 18.998 18 F 0.72392732818176 0.53962445572711 0.86370683670215 18.998 19 F 0.72392732818176 0.96037554427289 0.36370683670215 18.998 20 F 0.27607267181824 0.46037554427290 0.13629316329785 18.998 21 F 0.25413563078733 0.94692122304875 0.17662402482144 18.998 22 F 0.74586436921267 0.44692122304875 0.32337597517856 18.998 23 F 0.74586436921267 0.05307877695125 0.82337597517856 18.998 24 F 0.25413563078733 0.55307877695125 0.67662402482144 18.998 25 F 0.03224001072919 0.58908200833677 0.23245026124346 18.998 26 F 0.96775998927081 0.08908200833677 0.26754973875654 18.998 27 F 0.96775998927081 0.41091799166323 0.76754973875654 18.998 28 F 0.03224001072919 0.91091799166323 0.73245026124346 18.998 29 Er 0.18569827658931 0.23925015892628 0.76418820930878 167.259 30 Er 0.81430172341069 0.73925015892628 0.73581179069122 167.259 31 Er 0.81430172341069 0.76074984107372 0.23581179069122 167.259 32 Er 0.18569827658931 0.26074984107372 0.26418820930878 167.259 33 Pt 0.72840494702723 0.24210245846956 0.95754205776085 195.084 34 Pt 0.27159505297277 0.74210245846956 0.54245794223915 195.084 35 Pt 0.27159505297277 0.75789754153044 0.04245794223915 195.084 36 Pt 0.72840494702723 0.25789754153044 0.45754205776085 195.084 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.386949482144502 0.000000000000000 0.000000000000000 b 0.000000000000000 10.813370640000000 0.000000000000000 c -5.446092844843275 0.000000000000000 10.405926807796673 Atomic positions (fractional): 1 F 0.14787541025135 0.28104647374842 0.91311300186078 18.998 > 1 2 F 0.64787541025135 0.28104647374842 0.91311300186078 18.998 > 1 3 F 0.14787541025135 0.78104647374842 0.91311300186078 18.998 > 1 4 F 0.64787541025135 0.78104647374842 0.91311300186078 18.998 > 1 5 F 0.35212458974865 0.03104647374842 0.58688699813922 18.998 > 5 6 F 0.85212458974865 0.03104647374842 0.58688699813922 18.998 > 5 7 F 0.35212458974865 0.53104647374842 0.58688699813922 18.998 > 5 8 F 0.85212458974865 0.53104647374842 0.58688699813922 18.998 > 5 9 F 0.35212458974865 0.21895352625158 0.08688699813922 18.998 > 9 10 F 0.85212458974865 0.21895352625158 0.08688699813922 18.998 > 9 11 F 0.35212458974865 0.71895352625158 0.08688699813922 18.998 > 9 12 F 0.85212458974865 0.71895352625158 0.08688699813922 18.998 > 9 13 F 0.14787541025135 0.46895352625158 0.41311300186077 18.998 > 13 14 F 0.64787541025135 0.46895352625158 0.41311300186077 18.998 > 13 15 F 0.14787541025135 0.96895352625158 0.41311300186077 18.998 > 13 16 F 0.64787541025135 0.96895352625158 0.41311300186077 18.998 > 13 17 F 0.36201801994190 0.28202915400486 0.54313015149706 18.998 > 17 18 F 0.86201801994190 0.28202915400486 0.54313015149706 18.998 > 17 19 F 0.36201801994190 0.78202915400486 0.54313015149706 18.998 > 17 20 F 0.86201801994190 0.78202915400486 0.54313015149706 18.998 > 17 21 F 0.13798198005810 0.03202915400486 0.95686984850294 18.998 > 21 22 F 0.63798198005810 0.03202915400486 0.95686984850294 18.998 > 21 23 F 0.13798198005810 0.53202915400486 0.95686984850294 18.998 > 21 24 F 0.63798198005810 0.53202915400486 0.95686984850294 18.998 > 21 25 F 0.13798198005810 0.21797084599514 0.45686984850294 18.998 > 25 26 F 0.63798198005810 0.21797084599514 0.45686984850294 18.998 > 25 27 F 0.13798198005810 0.71797084599514 0.45686984850294 18.998 > 25 28 F 0.63798198005810 0.71797084599514 0.45686984850294 18.998 > 25 29 F 0.36201801994190 0.46797084599514 0.04313015149706 18.998 > 29 30 F 0.86201801994190 0.46797084599514 0.04313015149706 18.998 > 29 31 F 0.36201801994190 0.96797084599514 0.04313015149706 18.998 > 29 32 F 0.86201801994190 0.96797084599514 0.04313015149706 18.998 > 29 33 F 0.23856040366145 0.11268718810195 0.85876117055438 18.998 > 33 34 F 0.73856040366145 0.11268718810195 0.85876117055438 18.998 > 33 35 F 0.23856040366145 0.61268718810195 0.85876117055438 18.998 > 33 36 F 0.73856040366145 0.61268718810195 0.85876117055438 18.998 > 33 37 F 0.26143959633855 0.36268718810195 0.64123882944562 18.998 > 37 38 F 0.76143959633855 0.36268718810195 0.64123882944562 18.998 > 37 39 F 0.26143959633855 0.86268718810195 0.64123882944562 18.998 > 37 40 F 0.76143959633855 0.86268718810195 0.64123882944562 18.998 > 37 41 F 0.26143959633855 0.38731281189805 0.14123882944562 18.998 > 41 42 F 0.76143959633855 0.38731281189805 0.14123882944562 18.998 > 41 43 F 0.26143959633855 0.88731281189805 0.14123882944562 18.998 > 41 44 F 0.76143959633855 0.88731281189805 0.14123882944562 18.998 > 41 45 F 0.23856040366145 0.13731281189805 0.35876117055438 18.998 > 45 46 F 0.73856040366145 0.13731281189805 0.35876117055438 18.998 > 45 47 F 0.23856040366145 0.63731281189805 0.35876117055438 18.998 > 45 48 F 0.73856040366145 0.63731281189805 0.35876117055438 18.998 > 45 49 F 0.48987237543501 0.12327951429531 0.05138348070789 18.998 > 49 50 F 0.98987237543500 0.12327951429531 0.05138348070789 18.998 > 49 51 F 0.48987237543501 0.62327951429531 0.05138348070789 18.998 > 49 52 F 0.98987237543500 0.62327951429531 0.05138348070789 18.998 > 49 53 F 0.01012762456500 0.37327951429531 0.44861651929211 18.998 > 53 54 F 0.51012762456500 0.37327951429531 0.44861651929211 18.998 > 53 55 F 0.01012762456500 0.87327951429531 0.44861651929211 18.998 > 53 56 F 0.51012762456500 0.87327951429531 0.44861651929211 18.998 > 53 57 F 0.01012762456500 0.37672048570469 0.94861651929211 18.998 > 57 58 F 0.51012762456500 0.37672048570469 0.94861651929211 18.998 > 57 59 F 0.01012762456500 0.87672048570469 0.94861651929211 18.998 > 57 60 F 0.51012762456500 0.87672048570469 0.94861651929211 18.998 > 57 61 F 0.48987237543501 0.12672048570469 0.55138348070789 18.998 > 61 62 F 0.98987237543500 0.12672048570469 0.55138348070789 18.998 > 61 63 F 0.48987237543501 0.62672048570469 0.55138348070789 18.998 > 61 64 F 0.98987237543500 0.62672048570469 0.55138348070789 18.998 > 61 65 F 0.13803633590912 0.01981222786355 0.63629316329785 18.998 > 65 66 F 0.63803633590912 0.01981222786355 0.63629316329785 18.998 > 65 67 F 0.13803633590912 0.51981222786355 0.63629316329785 18.998 > 65 68 F 0.63803633590912 0.51981222786355 0.63629316329785 18.998 > 65 69 F 0.36196366409088 0.26981222786355 0.86370683670215 18.998 > 69 70 F 0.86196366409088 0.26981222786355 0.86370683670215 18.998 > 69 71 F 0.36196366409088 0.76981222786355 0.86370683670215 18.998 > 69 72 F 0.86196366409088 0.76981222786355 0.86370683670215 18.998 > 69 73 F 0.36196366409088 0.48018777213645 0.36370683670215 18.998 > 73 74 F 0.86196366409088 0.48018777213645 0.36370683670215 18.998 > 73 75 F 0.36196366409088 0.98018777213645 0.36370683670215 18.998 > 73 76 F 0.86196366409088 0.98018777213645 0.36370683670215 18.998 > 73 77 F 0.13803633590912 0.23018777213645 0.13629316329785 18.998 > 77 78 F 0.63803633590912 0.23018777213645 0.13629316329785 18.998 > 77 79 F 0.13803633590912 0.73018777213645 0.13629316329785 18.998 > 77 80 F 0.63803633590912 0.73018777213645 0.13629316329785 18.998 > 77 81 F 0.12706781539367 0.47346061152437 0.17662402482144 18.998 > 81 82 F 0.62706781539367 0.47346061152437 0.17662402482144 18.998 > 81 83 F 0.12706781539367 0.97346061152437 0.17662402482144 18.998 > 81 84 F 0.62706781539367 0.97346061152437 0.17662402482144 18.998 > 81 85 F 0.37293218460633 0.22346061152437 0.32337597517856 18.998 > 85 86 F 0.87293218460633 0.22346061152437 0.32337597517856 18.998 > 85 87 F 0.37293218460633 0.72346061152437 0.32337597517856 18.998 > 85 88 F 0.87293218460633 0.72346061152437 0.32337597517856 18.998 > 85 89 F 0.37293218460633 0.02653938847563 0.82337597517856 18.998 > 89 90 F 0.87293218460633 0.02653938847563 0.82337597517856 18.998 > 89 91 F 0.37293218460633 0.52653938847563 0.82337597517856 18.998 > 89 92 F 0.87293218460633 0.52653938847563 0.82337597517856 18.998 > 89 93 F 0.12706781539367 0.27653938847563 0.67662402482144 18.998 > 93 94 F 0.62706781539367 0.27653938847563 0.67662402482144 18.998 > 93 95 F 0.12706781539367 0.77653938847563 0.67662402482144 18.998 > 93 96 F 0.62706781539367 0.77653938847563 0.67662402482144 18.998 > 93 97 F 0.01612000536459 0.29454100416839 0.23245026124346 18.998 > 97 98 F 0.51612000536459 0.29454100416839 0.23245026124346 18.998 > 97 99 F 0.01612000536459 0.79454100416839 0.23245026124346 18.998 > 97 100 F 0.51612000536459 0.79454100416839 0.23245026124346 18.998 > 97 101 F 0.48387999463541 0.04454100416839 0.26754973875654 18.998 > 101 102 F 0.98387999463541 0.04454100416839 0.26754973875654 18.998 > 101 103 F 0.48387999463541 0.54454100416839 0.26754973875654 18.998 > 101 104 F 0.98387999463541 0.54454100416839 0.26754973875654 18.998 > 101 105 F 0.48387999463541 0.20545899583161 0.76754973875654 18.998 > 105 106 F 0.98387999463541 0.20545899583161 0.76754973875654 18.998 > 105 107 F 0.48387999463541 0.70545899583161 0.76754973875654 18.998 > 105 108 F 0.98387999463541 0.70545899583161 0.76754973875654 18.998 > 105 109 F 0.01612000536459 0.45545899583161 0.73245026124346 18.998 > 109 110 F 0.51612000536459 0.45545899583161 0.73245026124346 18.998 > 109 111 F 0.01612000536459 0.95545899583161 0.73245026124346 18.998 > 109 112 F 0.51612000536459 0.95545899583161 0.73245026124346 18.998 > 109 113 Er 0.09284913829466 0.11962507946314 0.76418820930878 167.259 > 113 114 Er 0.59284913829466 0.11962507946314 0.76418820930878 167.259 > 113 115 Er 0.09284913829466 0.61962507946314 0.76418820930878 167.259 > 113 116 Er 0.59284913829466 0.61962507946314 0.76418820930878 167.259 > 113 117 Er 0.40715086170534 0.36962507946314 0.73581179069122 167.259 > 117 118 Er 0.90715086170534 0.36962507946314 0.73581179069122 167.259 > 117 119 Er 0.40715086170534 0.86962507946314 0.73581179069122 167.259 > 117 120 Er 0.90715086170534 0.86962507946314 0.73581179069122 167.259 > 117 121 Er 0.40715086170534 0.38037492053686 0.23581179069122 167.259 > 121 122 Er 0.90715086170534 0.38037492053686 0.23581179069122 167.259 > 121 123 Er 0.40715086170534 0.88037492053686 0.23581179069122 167.259 > 121 124 Er 0.90715086170534 0.88037492053686 0.23581179069122 167.259 > 121 125 Er 0.09284913829466 0.13037492053686 0.26418820930878 167.259 > 125 126 Er 0.59284913829466 0.13037492053686 0.26418820930878 167.259 > 125 127 Er 0.09284913829466 0.63037492053686 0.26418820930878 167.259 > 125 128 Er 0.59284913829466 0.63037492053686 0.26418820930878 167.259 > 125 129 Pt 0.36420247351361 0.12105122923478 0.95754205776085 195.084 > 129 130 Pt 0.86420247351361 0.12105122923478 0.95754205776085 195.084 > 129 131 Pt 0.36420247351361 0.62105122923478 0.95754205776085 195.084 > 129 132 Pt 0.86420247351361 0.62105122923478 0.95754205776085 195.084 > 129 133 Pt 0.13579752648639 0.37105122923478 0.54245794223915 195.084 > 133 134 Pt 0.63579752648639 0.37105122923478 0.54245794223915 195.084 > 133 135 Pt 0.13579752648639 0.87105122923478 0.54245794223915 195.084 > 133 136 Pt 0.63579752648639 0.87105122923478 0.54245794223915 195.084 > 133 137 Pt 0.13579752648639 0.37894877076522 0.04245794223915 195.084 > 137 138 Pt 0.63579752648639 0.37894877076522 0.04245794223915 195.084 > 137 139 Pt 0.13579752648639 0.87894877076522 0.04245794223915 195.084 > 137 140 Pt 0.63579752648639 0.87894877076522 0.04245794223915 195.084 > 137 141 Pt 0.36420247351361 0.12894877076522 0.45754205776085 195.084 > 141 142 Pt 0.86420247351361 0.12894877076522 0.45754205776085 195.084 > 141 143 Pt 0.36420247351361 0.62894877076522 0.45754205776085 195.084 > 141 144 Pt 0.86420247351361 0.62894877076522 0.45754205776085 195.084 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.8832725 0.0000000 0.0060327 0.0000000 2.8658612 0.0000000 0.0060334 0.0000000 2.8840202 -------------------------- Born effective charges -------------------------- 1 F -0.5440064 0.3826325 0.4330116 0.2433721 -1.1415360 -0.7492409 0.2954938 -0.8087371 -1.2389597 2 F -0.5440064 -0.3826325 0.4330116 -0.2433721 -1.1415360 0.7492409 0.2954938 0.8087371 -1.2389597 3 F -0.5440064 0.3826325 0.4330116 0.2433721 -1.1415360 -0.7492409 0.2954938 -0.8087371 -1.2389597 4 F -0.5440064 -0.3826325 0.4330116 -0.2433721 -1.1415360 0.7492409 0.2954938 0.8087371 -1.2389597 5 F -0.4544425 0.3357334 0.3081425 0.2923260 -1.3482918 -0.9612346 0.1952500 -0.7727039 -1.1899489 6 F -0.4544425 -0.3357334 0.3081425 -0.2923260 -1.3482918 0.9612346 0.1952500 0.7727039 -1.1899489 7 F -0.4544425 0.3357334 0.3081425 0.2923260 -1.3482918 -0.9612346 0.1952500 -0.7727039 -1.1899489 8 F -0.4544425 -0.3357334 0.3081425 -0.2923260 -1.3482918 0.9612346 0.1952500 0.7727039 -1.1899489 9 F -2.0657160 -0.0048909 -0.8965200 -0.0770928 -0.4148057 -0.0582323 -0.9612550 -0.0230991 -0.9604667 10 F -2.0657160 0.0048909 -0.8965200 0.0770928 -0.4148057 0.0582323 -0.9612550 0.0230991 -0.9604667 11 F -2.0657160 -0.0048909 -0.8965200 -0.0770928 -0.4148057 -0.0582323 -0.9612550 -0.0230991 -0.9604667 12 F -2.0657160 0.0048909 -0.8965200 0.0770928 -0.4148057 0.0582323 -0.9612550 0.0230991 -0.9604667 13 F -1.1816556 0.0186606 -0.8340951 -0.0493069 -0.3429542 -0.0531761 -0.6418084 -0.0109332 -1.1963167 14 F -1.1816556 -0.0186606 -0.8340951 0.0493069 -0.3429542 0.0531761 -0.6418084 0.0109332 -1.1963167 15 F -1.1816556 0.0186606 -0.8340951 -0.0493069 -0.3429542 -0.0531761 -0.6418084 -0.0109332 -1.1963167 16 F -1.1816556 -0.0186606 -0.8340951 0.0493069 -0.3429542 0.0531761 -0.6418084 0.0109332 -1.1963167 17 F -0.7680215 0.5034188 0.3654110 0.6450389 -1.3692689 -0.7920504 0.4533493 -0.6942685 -0.9489362 18 F -0.7680215 -0.5034188 0.3654110 -0.6450389 -1.3692689 0.7920504 0.4533493 0.6942685 -0.9489362 19 F -0.7680215 0.5034188 0.3654110 0.6450389 -1.3692689 -0.7920504 0.4533493 -0.6942685 -0.9489362 20 F -0.7680215 -0.5034188 0.3654110 -0.6450389 -1.3692689 0.7920504 0.4533493 0.6942685 -0.9489362 21 F -0.8857880 0.6671204 0.5525317 0.6339278 -1.2928800 -0.7296194 0.6509912 -0.8599692 -1.2010471 22 F -0.8857880 -0.6671204 0.5525317 -0.6339278 -1.2928800 0.7296194 0.6509912 0.8599692 -1.2010471 23 F -0.8857880 0.6671204 0.5525317 0.6339278 -1.2928800 -0.7296194 0.6509912 -0.8599692 -1.2010471 24 F -0.8857880 -0.6671204 0.5525317 -0.6339278 -1.2928800 0.7296194 0.6509912 0.8599692 -1.2010471 25 F -1.5030613 0.6891562 -0.0844293 0.7360946 -1.4237421 0.0433971 -0.0292535 0.0113161 -0.7786002 26 F -1.5030613 -0.6891562 -0.0844293 -0.7360946 -1.4237421 -0.0433971 -0.0292535 -0.0113161 -0.7786002 27 F -1.5030613 0.6891562 -0.0844293 0.7360946 -1.4237421 0.0433971 -0.0292535 0.0113161 -0.7786002 28 F -1.5030613 -0.6891562 -0.0844293 -0.7360946 -1.4237421 -0.0433971 -0.0292535 -0.0113161 -0.7786002 29 Er 4.3418629 0.1692493 0.1659693 -0.0729875 4.3005793 -0.0429635 -0.0166189 -0.0470133 4.4662936 30 Er 4.3418629 -0.1692493 0.1659693 0.0729875 4.3005793 0.0429635 -0.0166189 0.0470133 4.4662936 31 Er 4.3418629 0.1692493 0.1659693 -0.0729875 4.3005793 -0.0429635 -0.0166189 -0.0470133 4.4662936 32 Er 4.3418629 -0.1692493 0.1659693 0.0729875 4.3005793 0.0429635 -0.0166189 0.0470133 4.4662936 33 Pt 3.0608285 0.0124420 -0.0100217 -0.0557926 3.0328993 0.0827851 0.0538514 -0.0885553 3.0479819 34 Pt 3.0608285 -0.0124420 -0.0100217 0.0557926 3.0328993 -0.0827851 0.0538514 0.0885553 3.0479819 35 Pt 3.0608285 0.0124420 -0.0100217 -0.0557926 3.0328993 0.0827851 0.0538514 -0.0885553 3.0479819 36 Pt 3.0608285 -0.0124420 -0.0100217 0.0557926 3.0328993 -0.0827851 0.0538514 0.0885553 3.0479819 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 9 5 ] 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: 0.53, Number of G-points: 305, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/80) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.895 ( 0.000 0.000 0.000) 0.000 2.076 ( 0.000 0.000 0.000) 0.000 2.079 ( 0.000 0.000 0.000) 0.000 2.164 ( 0.000 0.000 0.000) 0.000 2.267 ( 0.000 0.000 0.000) 0.000 2.278 ( 0.000 0.000 0.000) 0.000 2.376 ( 0.000 0.000 0.000) 0.000 2.573 ( 0.000 0.000 0.000) 0.000 2.633 ( 0.000 0.000 0.000) 0.000 2.654 ( 0.000 0.000 0.000) 0.000 2.792 ( 0.000 0.000 0.000) 0.000 2.889 ( 0.000 0.000 0.000) 0.000 3.165 ( 0.000 0.000 0.000) 0.000 3.236 ( 0.000 0.000 0.000) 0.000 3.236 ( 0.000 0.000 0.000) 0.000 3.257 ( 0.000 0.000 0.000) 0.000 3.538 ( 0.000 0.000 0.000) 0.000 3.572 ( 0.000 0.000 0.000) 0.000 3.606 ( 0.000 0.000 0.000) 0.000 3.656 ( 0.000 0.000 0.000) 0.000 3.893 ( 0.000 0.000 0.000) 0.000 4.015 ( 0.000 0.000 0.000) 0.000 4.081 ( 0.000 0.000 0.000) 0.000 4.190 ( 0.000 0.000 0.000) 0.000 4.268 ( 0.000 0.000 0.000) 0.000 4.286 ( 0.000 0.000 0.000) 0.000 4.363 ( 0.000 0.000 0.000) 0.000 4.538 ( 0.000 0.000 0.000) 0.000 4.578 ( 0.000 0.000 0.000) 0.000 4.676 ( 0.000 0.000 0.000) 0.000 4.678 ( 0.000 0.000 0.000) 0.000 4.826 ( 0.000 0.000 0.000) 0.000 4.833 ( 0.000 0.000 0.000) 0.000 4.994 ( 0.000 0.000 0.000) 0.000 4.994 ( 0.000 0.000 0.000) 0.000 5.361 ( 0.000 0.000 0.000) 0.000 5.588 ( 0.000 0.000 0.000) 0.000 5.720 ( 0.000 0.000 0.000) 0.000 5.806 ( 0.000 0.000 0.000) 0.000 6.031 ( 0.000 0.000 0.000) 0.000 6.061 ( 0.000 0.000 0.000) 0.000 6.160 ( 0.000 0.000 0.000) 0.000 6.226 ( 0.000 0.000 0.000) 0.000 6.383 ( 0.000 0.000 0.000) 0.000 6.462 ( 0.000 0.000 0.000) 0.000 6.541 ( 0.000 0.000 0.000) 0.000 6.555 ( 0.000 0.000 0.000) 0.000 6.588 ( 0.000 0.000 0.000) 0.000 6.743 ( 0.000 0.000 0.000) 0.000 6.893 ( 0.000 0.000 0.000) 0.000 6.925 ( 0.000 0.000 0.000) 0.000 6.973 ( 0.000 0.000 0.000) 0.000 7.148 ( 0.000 0.000 0.000) 0.000 7.240 ( 0.000 0.000 0.000) 0.000 7.359 ( 0.000 0.000 0.000) 0.000 7.468 ( 0.000 0.000 0.000) 0.000 7.541 ( 0.000 0.000 0.000) 0.000 7.636 ( 0.000 0.000 0.000) 0.000 7.694 ( 0.000 0.000 0.000) 0.000 7.815 ( 0.000 0.000 0.000) 0.000 7.848 ( 0.000 0.000 0.000) 0.000 8.058 ( 0.000 0.000 0.000) 0.000 8.071 ( 0.000 0.000 0.000) 0.000 8.134 ( 0.000 0.000 0.000) 0.000 8.252 ( 0.000 0.000 0.000) 0.000 8.329 ( 0.000 0.000 0.000) 0.000 8.330 ( 0.000 0.000 0.000) 0.000 8.377 ( 0.000 0.000 0.000) 0.000 8.420 ( 0.000 0.000 0.000) 0.000 8.605 ( 0.000 0.000 0.000) 0.000 8.642 ( 0.000 0.000 0.000) 0.000 8.732 ( 0.000 0.000 0.000) 0.000 8.734 ( 0.000 0.000 0.000) 0.000 8.937 ( 0.000 0.000 0.000) 0.000 9.111 ( 0.000 0.000 0.000) 0.000 9.370 ( 0.000 0.000 0.000) 0.000 9.448 ( 0.000 0.000 0.000) 0.000 12.704 ( 0.000 0.000 0.000) 0.000 12.714 ( 0.000 0.000 0.000) 0.000 14.192 ( 0.000 0.000 0.000) 0.000 14.606 ( 0.000 0.000 0.000) 0.000 16.849 ( 0.000 0.000 0.000) 0.000 16.971 ( 0.000 0.000 0.000) 0.000 16.973 ( 0.000 0.000 0.000) 0.000 16.979 ( 0.000 0.000 0.000) 0.000 17.317 ( 0.000 0.000 0.000) 0.000 17.346 ( 0.000 0.000 0.000) 0.000 17.475 ( 0.000 0.000 0.000) 0.000 17.486 ( 0.000 0.000 0.000) 0.000 17.562 ( 0.000 0.000 0.000) 0.000 17.660 ( 0.000 0.000 0.000) 0.000 17.883 ( 0.000 0.000 0.000) 0.000 18.099 ( 0.000 0.000 0.000) 0.000 18.138 ( 0.000 0.000 0.000) 0.000 18.138 ( 0.000 0.000 0.000) 0.000 18.164 ( 0.000 0.000 0.000) 0.000 18.238 ( 0.000 0.000 0.000) 0.000 18.337 ( 0.000 0.000 0.000) 0.000 18.738 ( 0.000 0.000 0.000) 0.000 18.812 ( 0.000 0.000 0.000) 0.000 19.106 ( 0.000 0.000 0.000) 0.000 19.391 ( 0.000 0.000 0.000) 0.000 19.541 ( 0.000 0.000 0.000) 0.000 19.932 ( 0.000 0.000 0.000) 0.000 20.113 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/80) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.394 ( 20.431 0.000 1.288) 20.471 0.427 ( 20.094 0.000 3.099) 20.332 0.963 ( 38.149 0.000 21.849) 43.962 1.849 ( -3.817 0.000 -18.564) 18.952 1.927 ( 0.162 0.000 -3.266) 3.270 2.058 ( -10.676 0.000 -4.298) 11.508 2.157 ( 1.918 0.000 0.812) 2.082 2.281 ( 5.966 0.000 -2.811) 6.595 2.300 ( -5.661 0.000 1.694) 5.909 2.387 ( 0.178 0.000 1.927) 1.936 2.411 ( -1.007 0.000 -1.341) 1.677 2.578 ( 0.045 0.000 0.911) 0.912 2.787 ( -7.192 0.000 0.174) 7.194 2.792 ( 0.735 0.000 -0.809) 1.093 2.921 ( 9.845 0.000 5.329) 11.195 3.127 ( -3.529 0.000 -3.604) 5.044 3.250 ( 2.060 0.000 -5.102) 5.502 3.273 ( -2.460 0.000 5.160) 5.716 3.500 ( -2.120 0.000 0.809) 2.269 3.524 ( 2.113 0.000 7.515) 7.807 3.581 ( -3.777 0.000 -0.769) 3.855 3.590 ( 1.705 0.000 -4.448) 4.764 3.724 ( 4.101 0.000 -0.440) 4.124 3.873 ( -1.560 0.000 0.479) 1.631 3.985 ( 4.215 0.000 -1.345) 4.424 4.162 ( -0.484 0.000 -3.347) 3.382 4.216 ( -3.410 0.000 -2.727) 4.366 4.256 ( 3.642 0.000 6.590) 7.529 4.334 ( 0.502 0.000 3.967) 3.999 4.335 ( 0.131 0.000 -2.373) 2.377 4.494 ( -2.132 0.000 -0.878) 2.306 4.537 ( -2.964 0.000 1.914) 3.528 4.691 ( 0.632 0.000 -1.006) 1.188 4.708 ( -0.774 0.000 -7.176) 7.218 4.774 ( -2.241 0.000 -5.712) 6.136 4.886 ( 3.623 0.000 -8.182) 8.948 4.960 ( -4.145 0.000 3.289) 5.291 5.074 ( -0.084 0.000 10.884) 10.885 5.438 ( -0.990 0.000 -1.871) 2.117 5.656 ( -3.531 0.000 -4.589) 5.790 5.735 ( -4.813 0.000 1.492) 5.039 5.909 ( -7.992 0.000 -5.772) 9.858 6.027 ( -0.737 0.000 10.646) 10.671 6.079 ( 0.283 0.000 1.389) 1.418 6.159 ( -9.769 0.000 8.770) 13.128 6.282 ( 1.452 0.000 4.893) 5.104 6.421 ( -7.563 0.000 -1.023) 7.632 6.431 ( 2.935 0.000 -8.437) 8.933 6.512 ( 1.751 0.000 7.073) 7.287 6.566 ( -0.861 0.000 5.040) 5.113 6.628 ( -1.352 0.000 6.838) 6.971 6.756 ( 1.303 0.000 0.308) 1.339 6.939 ( 1.931 0.000 0.282) 1.952 6.941 ( 3.185 0.000 -2.784) 4.230 7.092 ( 3.933 0.000 8.905) 9.735 7.164 ( -0.241 0.000 2.932) 2.942 7.272 ( 0.213 0.000 1.818) 1.831 7.368 ( 0.833 0.000 0.150) 0.846 7.512 ( 0.995 0.000 -3.895) 4.020 7.550 ( 0.171 0.000 2.066) 2.073 7.621 ( -1.376 0.000 0.362) 1.423 7.714 ( 0.161 0.000 1.380) 1.389 7.764 ( -1.360 0.000 -1.646) 2.136 7.920 ( 2.976 0.000 2.393) 3.819 8.034 ( -1.070 0.000 -1.890) 2.172 8.074 ( 0.612 0.000 -0.171) 0.635 8.135 ( -1.124 0.000 -3.235) 3.424 8.244 ( -1.558 0.000 0.778) 1.741 8.314 ( -1.215 0.000 -0.177) 1.228 8.343 ( -1.702 0.000 -1.846) 2.511 8.410 ( -0.333 0.000 -1.165) 1.212 8.512 ( 1.679 0.000 -0.054) 1.680 8.555 ( -1.024 0.000 -4.634) 4.745 8.659 ( 1.046 0.000 0.739) 1.281 8.726 ( -1.227 0.000 1.140) 1.675 8.770 ( -0.246 0.000 4.227) 4.234 8.956 ( 2.268 0.000 -1.146) 2.541 9.068 ( -0.921 0.000 -4.135) 4.236 9.417 ( 2.141 0.000 2.846) 3.561 9.444 ( -1.240 0.000 0.994) 1.589 12.704 ( 0.051 0.000 -0.104) 0.116 12.717 ( 0.243 0.000 0.079) 0.255 14.219 ( 2.305 0.000 0.539) 2.367 14.986 ( 0.196 0.000 -16.981) 16.982 16.929 ( 6.131 0.000 3.303) 6.964 16.980 ( 1.152 0.000 -2.108) 2.403 16.992 ( 0.989 0.000 -0.926) 1.355 17.040 ( 5.306 0.000 2.465) 5.850 17.337 ( 1.850 0.000 -4.480) 4.847 17.374 ( 3.578 0.000 -5.537) 6.593 17.462 ( -0.920 0.000 -0.119) 0.928 17.504 ( 2.364 0.000 -1.192) 2.647 17.698 ( 0.858 0.000 4.520) 4.600 17.890 ( 0.447 0.000 0.443) 0.629 18.034 ( -5.073 0.000 -1.315) 5.240 18.107 ( -2.169 0.000 -1.492) 2.633 18.154 ( 0.308 0.000 0.763) 0.823 18.179 ( 1.250 0.000 0.809) 1.489 18.232 ( -1.193 0.000 0.848) 1.464 18.335 ( -0.272 0.000 0.120) 0.297 18.737 ( 2.435 0.000 -0.533) 2.492 18.823 ( 1.387 0.000 -0.773) 1.588 19.063 ( -4.225 0.000 0.213) 4.230 19.220 ( -9.093 0.000 15.291) 17.790 19.527 ( -0.114 0.000 -1.223) 1.229 19.856 ( 1.210 0.000 -1.171) 1.684 19.870 ( -3.388 0.000 -4.695) 5.790 20.080 ( -3.047 0.000 -0.321) 3.064 ======================= Grid point 2 (3/80) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( 19.594 0.000 4.002) 19.999 0.813 ( 16.095 0.000 2.727) 16.324 1.570 ( -2.068 0.000 -19.116) 19.228 1.672 ( -7.071 0.000 -3.681) 7.972 1.853 ( -7.608 0.000 -2.380) 7.971 1.935 ( 25.145 0.000 14.917) 29.237 2.025 ( -9.788 0.000 -5.153) 11.061 2.190 ( 2.007 0.000 -1.326) 2.405 2.368 ( 5.568 0.000 -5.272) 7.668 2.474 ( 4.362 0.000 9.335) 10.304 2.591 ( 0.068 0.000 1.571) 1.572 2.606 ( -2.907 0.000 5.407) 6.139 2.703 ( 8.438 0.000 6.857) 10.873 2.795 ( 2.433 0.000 -5.815) 6.304 3.020 ( -3.130 0.000 -3.362) 4.593 3.121 ( 5.101 0.000 -0.184) 5.104 3.126 ( -10.301 0.000 -0.603) 10.318 3.251 ( -3.793 0.000 6.571) 7.587 3.396 ( -12.732 0.000 -5.216) 13.759 3.510 ( 2.489 0.000 1.530) 2.922 3.534 ( -0.951 0.000 -6.431) 6.501 3.702 ( 8.296 0.000 2.485) 8.661 3.818 ( 2.437 0.000 5.622) 6.127 3.879 ( -0.746 0.000 0.833) 1.118 4.032 ( -3.216 0.000 -2.706) 4.203 4.070 ( -3.404 0.000 -4.814) 5.896 4.148 ( -1.177 0.000 -2.445) 2.714 4.204 ( 1.083 0.000 0.554) 1.217 4.389 ( 1.989 0.000 1.993) 2.816 4.438 ( 2.362 0.000 2.763) 3.635 4.446 ( -3.767 0.000 1.649) 4.112 4.519 ( -2.102 0.000 -0.771) 2.239 4.617 ( -0.712 0.000 -4.396) 4.453 4.662 ( 4.570 0.000 -7.463) 8.751 4.735 ( 0.132 0.000 -1.219) 1.226 4.848 ( -4.146 0.000 1.047) 4.276 4.961 ( -0.222 0.000 6.529) 6.533 5.175 ( -0.439 0.000 10.178) 10.187 5.376 ( -0.780 0.000 -6.685) 6.730 5.519 ( -5.059 0.000 -4.728) 6.925 5.670 ( -8.454 0.000 -6.601) 10.726 5.693 ( -1.086 0.000 1.292) 1.688 6.031 ( -8.931 0.000 9.130) 12.771 6.088 ( -0.905 0.000 1.911) 2.115 6.119 ( 3.308 0.000 -3.816) 5.050 6.274 ( -4.864 0.000 -2.293) 5.377 6.348 ( 1.129 0.000 3.151) 3.347 6.431 ( 3.116 0.000 -4.188) 5.220 6.564 ( 0.121 0.000 2.013) 2.017 6.592 ( -0.178 0.000 1.656) 1.665 6.763 ( 5.864 0.000 6.403) 8.682 6.790 ( 1.591 0.000 -0.036) 1.591 6.966 ( 0.925 0.000 -1.345) 1.633 7.014 ( 4.786 0.000 1.257) 4.948 7.180 ( -1.601 0.000 2.774) 3.203 7.236 ( 4.265 0.000 3.147) 5.300 7.248 ( -2.182 0.000 -1.138) 2.461 7.386 ( -0.055 0.000 0.977) 0.979 7.496 ( 1.321 0.000 -3.110) 3.379 7.578 ( -0.552 0.000 2.886) 2.938 7.600 ( -1.275 0.000 0.785) 1.497 7.703 ( -2.002 0.000 -0.386) 2.039 7.739 ( -0.235 0.000 -0.923) 0.953 7.977 ( 0.705 0.000 1.088) 1.296 8.003 ( 0.201 0.000 -1.675) 1.687 8.071 ( -2.625 0.000 -1.217) 2.893 8.099 ( 1.920 0.000 0.244) 1.936 8.209 ( -2.336 0.000 1.337) 2.692 8.302 ( -0.249 0.000 0.778) 0.817 8.303 ( -0.616 0.000 -1.214) 1.362 8.387 ( -0.321 0.000 -2.315) 2.337 8.504 ( -0.414 0.000 -2.513) 2.547 8.544 ( 0.805 0.000 1.282) 1.513 8.683 ( 0.853 0.000 0.112) 0.861 8.711 ( -1.333 0.000 0.886) 1.601 8.780 ( -1.430 0.000 1.403) 2.003 8.989 ( 2.117 0.000 -1.124) 2.397 9.030 ( 0.388 0.000 -2.111) 2.146 9.430 ( -0.907 0.000 0.485) 1.028 9.477 ( 1.359 0.000 1.813) 2.266 12.704 ( 0.059 0.000 -0.090) 0.107 12.723 ( 0.249 0.000 0.082) 0.262 14.275 ( 2.439 0.000 0.565) 2.504 14.812 ( -3.703 0.000 -7.934) 8.756 16.981 ( 0.619 0.000 -0.979) 1.159 17.002 ( 0.366 0.000 0.159) 0.399 17.115 ( 7.827 0.000 4.674) 9.117 17.189 ( 5.692 0.000 3.052) 6.458 17.331 ( 1.207 0.000 -2.601) 2.868 17.385 ( 1.792 0.000 -2.559) 3.124 17.439 ( -1.000 0.000 -0.975) 1.396 17.563 ( 5.045 0.000 -0.825) 5.112 17.752 ( 0.309 0.000 3.172) 3.187 17.905 ( 0.391 0.000 0.715) 0.815 17.909 ( -6.247 0.000 0.076) 6.247 18.016 ( -4.931 0.000 -3.043) 5.794 18.166 ( 0.333 0.000 0.565) 0.656 18.211 ( -1.419 0.000 0.422) 1.480 18.228 ( 2.536 0.000 1.254) 2.829 18.324 ( -1.026 0.000 -0.102) 1.031 18.807 ( 5.414 0.000 -0.071) 5.414 18.845 ( 2.017 0.000 -1.212) 2.353 18.969 ( -5.112 0.000 0.088) 5.113 19.137 ( -9.745 0.000 4.225) 10.622 19.543 ( 1.570 0.000 1.108) 1.921 19.747 ( -3.412 0.000 -4.354) 5.531 19.868 ( 0.228 0.000 0.568) 0.613 20.009 ( -3.168 0.000 -0.607) 3.226 ======================= Grid point 3 (4/80) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( 0.000 0.000 0.000) 0.000 1.131 ( 0.000 0.000 0.000) 0.000 1.400 ( 0.000 0.000 0.000) 0.000 1.446 ( 0.000 0.000 0.000) 0.000 1.735 ( 0.000 0.000 0.000) 0.000 1.861 ( 0.000 0.000 0.000) 0.000 2.245 ( 0.000 0.000 0.000) 0.000 2.333 ( 0.000 0.000 0.000) 0.000 2.481 ( 0.000 0.000 0.000) 0.000 2.538 ( 0.000 0.000 0.000) 0.000 2.610 ( 0.000 0.000 0.000) 0.000 2.745 ( 0.000 0.000 0.000) 0.000 2.784 ( 0.000 0.000 0.000) 0.000 2.824 ( -0.000 0.000 -0.000) 0.000 2.960 ( 0.000 0.000 0.000) 0.000 2.974 ( 0.000 0.000 0.000) 0.000 3.068 ( 0.000 0.000 -0.000) 0.000 3.162 ( 0.000 0.000 0.000) 0.000 3.296 ( 0.000 0.000 0.000) 0.000 3.474 ( 0.000 0.000 0.000) 0.000 3.594 ( 0.000 0.000 -0.000) 0.000 3.801 ( 0.000 0.000 0.000) 0.000 3.811 ( 0.000 0.000 0.000) 0.000 3.885 ( 0.000 0.000 0.000) 0.000 3.956 ( 0.000 0.000 0.000) 0.000 4.006 ( 0.000 0.000 -0.000) 0.000 4.108 ( 0.000 0.000 0.000) 0.000 4.311 ( -0.000 0.000 -0.000) 0.000 4.368 ( 0.000 0.000 0.000) 0.000 4.407 ( 0.000 0.000 -0.000) 0.000 4.427 ( -0.000 0.000 0.000) 0.000 4.537 ( 0.000 0.000 0.000) 0.000 4.604 ( 0.000 0.000 0.000) 0.000 4.710 ( 0.000 0.000 -0.000) 0.000 4.723 ( 0.000 0.000 0.000) 0.000 4.775 ( -0.000 0.000 0.000) 0.000 5.016 ( 0.000 0.000 0.000) 0.000 5.244 ( 0.000 0.000 0.000) 0.000 5.309 ( 0.000 0.000 0.000) 0.000 5.427 ( 0.000 0.000 0.000) 0.000 5.539 ( 0.000 0.000 0.000) 0.000 5.696 ( 0.000 0.000 0.000) 0.000 5.975 ( 0.000 0.000 0.000) 0.000 6.088 ( 0.000 0.000 0.000) 0.000 6.163 ( -0.000 0.000 -0.000) 0.000 6.187 ( 0.000 0.000 0.000) 0.000 6.380 ( -0.000 0.000 -0.000) 0.000 6.441 ( 0.000 0.000 0.000) 0.000 6.579 ( 0.000 0.000 0.000) 0.000 6.596 ( 0.000 0.000 0.000) 0.000 6.806 ( 0.000 0.000 0.000) 0.000 6.885 ( -0.000 0.000 -0.000) 0.000 6.946 ( 0.000 0.000 0.000) 0.000 7.104 ( 0.000 0.000 0.000) 0.000 7.147 ( 0.000 0.000 0.000) 0.000 7.219 ( 0.000 0.000 0.000) 0.000 7.302 ( 0.000 0.000 0.000) 0.000 7.382 ( 0.000 0.000 0.000) 0.000 7.498 ( 0.000 0.000 0.000) 0.000 7.583 ( 0.000 0.000 -0.000) 0.000 7.592 ( 0.000 0.000 0.000) 0.000 7.667 ( 0.000 0.000 -0.000) 0.000 7.730 ( 0.000 0.000 0.000) 0.000 7.983 ( 0.000 0.000 0.000) 0.000 8.004 ( 0.000 0.000 0.000) 0.000 8.031 ( -0.000 0.000 0.000) 0.000 8.126 ( 0.000 0.000 0.000) 0.000 8.197 ( 0.000 0.000 0.000) 0.000 8.293 ( 0.000 0.000 0.000) 0.000 8.311 ( 0.000 0.000 -0.000) 0.000 8.363 ( 0.000 0.000 0.000) 0.000 8.488 ( 0.000 0.000 0.000) 0.000 8.560 ( 0.000 0.000 0.000) 0.000 8.696 ( -0.000 0.000 0.000) 0.000 8.697 ( 0.000 0.000 -0.000) 0.000 8.768 ( 0.000 0.000 0.000) 0.000 9.005 ( 0.000 0.000 0.000) 0.000 9.027 ( 0.000 0.000 0.000) 0.000 9.423 ( 0.000 0.000 0.000) 0.000 9.500 ( 0.000 0.000 0.000) 0.000 12.704 ( 0.000 0.000 0.000) 0.000 12.726 ( 0.000 0.000 0.000) 0.000 14.304 ( 0.000 0.000 0.000) 0.000 14.730 ( 0.000 0.000 0.000) 0.000 16.983 ( 0.000 0.000 0.000) 0.000 17.006 ( 0.000 0.000 0.000) 0.000 17.247 ( -0.000 0.000 -0.000) 0.000 17.259 ( 0.000 0.000 0.000) 0.000 17.330 ( -0.000 0.000 0.000) 0.000 17.389 ( 0.000 0.000 0.000) 0.000 17.414 ( 0.000 0.000 0.000) 0.000 17.636 ( 0.000 0.000 0.000) 0.000 17.770 ( 0.000 0.000 0.000) 0.000 17.852 ( 0.000 0.000 0.000) 0.000 17.909 ( 0.000 0.000 0.000) 0.000 17.913 ( 0.000 0.000 0.000) 0.000 18.176 ( 0.000 0.000 0.000) 0.000 18.196 ( -0.000 0.000 0.000) 0.000 18.281 ( -0.000 0.000 -0.000) 0.000 18.295 ( 0.000 0.000 0.000) 0.000 18.878 ( 0.000 0.000 0.000) 0.000 18.895 ( -0.000 0.000 0.000) 0.000 18.915 ( 0.000 0.000 0.000) 0.000 19.000 ( 0.000 0.000 0.000) 0.000 19.571 ( 0.000 0.000 0.000) 0.000 19.688 ( 0.000 0.000 0.000) 0.000 19.873 ( 0.000 0.000 0.000) 0.000 19.971 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 7 (5/80) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.384 ( 0.000 19.760 0.000) 19.760 0.662 ( 0.000 31.818 0.000) 31.818 0.724 ( 0.000 34.473 0.000) 34.473 1.852 ( 0.000 -4.301 0.000) 4.301 2.073 ( 0.000 -1.350 0.000) 1.350 2.077 ( 0.000 1.111 0.000) 1.111 2.220 ( 0.000 4.105 0.000) 4.105 2.294 ( 0.000 5.318 0.000) 5.318 2.301 ( 0.000 2.955 0.000) 2.955 2.430 ( 0.000 -7.144 0.000) 7.144 2.556 ( 0.000 11.805 0.000) 11.805 2.710 ( 0.000 7.586 0.000) 7.586 2.778 ( 0.000 0.998 0.000) 0.998 2.856 ( 0.000 10.922 0.000) 10.922 2.881 ( 0.000 -0.480 0.000) 0.480 3.145 ( 0.000 -5.142 0.000) 5.142 3.181 ( 0.000 1.183 0.000) 1.183 3.279 ( 0.000 -3.019 0.000) 3.019 3.378 ( 0.000 -2.666 0.000) 2.666 3.408 ( 0.000 6.147 0.000) 6.147 3.525 ( 0.000 -6.732 0.000) 6.732 3.658 ( 0.000 5.516 0.000) 5.516 3.786 ( 0.000 6.003 0.000) 6.003 4.004 ( 0.000 -0.468 0.000) 0.468 4.048 ( 0.000 -0.677 0.000) 0.677 4.116 ( 0.000 -6.478 0.000) 6.478 4.233 ( 0.000 -2.736 0.000) 2.736 4.265 ( 0.000 -1.908 0.000) 1.908 4.376 ( 0.000 0.844 0.000) 0.844 4.407 ( 0.000 -2.358 0.000) 2.358 4.433 ( 0.000 -9.344 0.000) 9.344 4.534 ( 0.000 0.630 0.000) 0.630 4.676 ( 0.000 -1.046 0.000) 1.046 4.685 ( 0.000 -3.086 0.000) 3.086 4.830 ( 0.000 3.022 0.000) 3.022 4.908 ( 0.000 3.393 0.000) 3.393 5.024 ( 0.000 2.645 0.000) 2.645 5.190 ( 0.000 -0.747 0.000) 0.747 5.325 ( 0.000 -3.334 0.000) 3.334 5.554 ( 0.000 -2.721 0.000) 2.721 5.673 ( 0.000 -3.524 0.000) 3.524 5.855 ( 0.000 2.874 0.000) 2.874 5.979 ( 0.000 -4.277 0.000) 4.277 6.085 ( 0.000 -7.264 0.000) 7.264 6.141 ( 0.000 -2.890 0.000) 2.890 6.240 ( 0.000 -8.143 0.000) 8.143 6.250 ( 0.000 1.212 0.000) 1.212 6.509 ( 0.000 -4.150 0.000) 4.150 6.556 ( 0.000 1.609 0.000) 1.609 6.606 ( 0.000 7.319 0.000) 7.319 6.671 ( 0.000 6.403 0.000) 6.403 6.884 ( 0.000 -1.656 0.000) 1.656 6.907 ( 0.000 -4.007 0.000) 4.007 6.938 ( 0.000 1.990 0.000) 1.990 7.020 ( 0.000 0.001 0.000) 0.001 7.126 ( 0.000 -1.510 0.000) 1.510 7.270 ( 0.000 2.367 0.000) 2.367 7.392 ( 0.000 2.569 0.000) 2.569 7.446 ( 0.000 -1.348 0.000) 1.348 7.484 ( 0.000 -4.321 0.000) 4.321 7.673 ( 0.000 3.248 0.000) 3.248 7.682 ( 0.000 -1.084 0.000) 1.084 7.843 ( 0.000 0.932 0.000) 0.932 7.897 ( 0.000 3.915 0.000) 3.915 8.035 ( 0.000 -2.010 0.000) 2.010 8.037 ( 0.000 -2.769 0.000) 2.769 8.171 ( 0.000 1.943 0.000) 1.943 8.240 ( 0.000 -3.546 0.000) 3.546 8.321 ( 0.000 -3.088 0.000) 3.088 8.341 ( 0.000 0.899 0.000) 0.899 8.402 ( 0.000 1.292 0.000) 1.292 8.426 ( 0.000 0.810 0.000) 0.810 8.582 ( 0.000 -1.985 0.000) 1.985 8.643 ( 0.000 -0.551 0.000) 0.551 8.673 ( 0.000 -3.180 0.000) 3.180 8.775 ( 0.000 1.505 0.000) 1.505 8.988 ( 0.000 4.311 0.000) 4.311 9.129 ( 0.000 1.019 0.000) 1.019 9.359 ( 0.000 -1.073 0.000) 1.073 9.440 ( 0.000 -0.703 0.000) 0.703 12.788 ( 0.000 6.999 0.000) 6.999 13.302 ( 0.000 1.298 0.000) 1.298 14.168 ( 0.000 -2.338 0.000) 2.338 14.537 ( 0.000 -6.411 0.000) 6.411 16.963 ( 0.000 0.900 0.000) 0.900 16.990 ( 0.000 0.911 0.000) 0.911 17.023 ( 0.000 2.542 0.000) 2.542 17.065 ( 0.000 1.195 0.000) 1.195 17.324 ( 0.000 1.031 0.000) 1.031 17.362 ( 0.000 1.624 0.000) 1.624 17.467 ( 0.000 -0.832 0.000) 0.832 17.612 ( 0.000 3.695 0.000) 3.695 17.644 ( 0.000 -1.427 0.000) 1.427 17.855 ( 0.000 -2.717 0.000) 2.717 18.010 ( 0.000 0.995 0.000) 0.995 18.075 ( 0.000 -3.553 0.000) 3.553 18.131 ( 0.000 -1.001 0.000) 1.001 18.143 ( 0.000 -0.277 0.000) 0.277 18.221 ( 0.000 -1.512 0.000) 1.512 18.302 ( 0.000 -2.397 0.000) 2.397 18.758 ( 0.000 1.772 0.000) 1.772 18.794 ( 0.000 0.897 0.000) 0.897 19.074 ( 0.000 -2.721 0.000) 2.721 19.422 ( 0.000 2.683 0.000) 2.683 19.430 ( 0.000 -6.384 0.000) 6.384 19.644 ( 0.000 3.284 0.000) 3.284 19.875 ( 0.000 -5.310 0.000) 5.310 20.078 ( 0.000 -4.092 0.000) 4.092 ======================= Grid point 8 (6/80) ======================= q-point: ( 0.17 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( 6.798 20.921 10.887) 24.545 0.789 ( 15.206 23.669 0.187) 28.134 1.124 ( 30.801 16.975 13.990) 37.849 1.816 ( 0.296 -3.974 -11.749) 12.406 1.956 ( -3.402 3.170 -10.394) 11.386 2.095 ( -6.410 -0.060 -1.966) 6.705 2.139 ( -2.731 2.314 0.794) 3.667 2.230 ( -0.990 -1.285 -0.270) 1.644 2.338 ( 0.129 5.801 -4.133) 7.124 2.408 ( 3.449 0.267 1.167) 3.650 2.599 ( -8.174 9.741 3.115) 13.092 2.627 ( 3.834 6.190 -0.482) 7.297 2.727 ( -3.947 -2.524 0.555) 4.718 2.855 ( -1.826 4.243 -0.121) 4.621 2.950 ( 4.788 1.453 2.560) 5.621 3.120 ( -2.366 -0.178 -2.689) 3.586 3.180 ( 0.640 -0.875 1.042) 1.504 3.336 ( -1.154 -2.562 2.425) 3.712 3.420 ( 0.651 -0.143 1.321) 1.480 3.433 ( 2.469 -3.870 4.786) 6.632 3.492 ( -0.914 -4.242 -1.373) 4.551 3.694 ( 2.860 5.170 -0.585) 5.937 3.785 ( -1.727 7.880 1.749) 8.255 3.975 ( 1.445 1.538 -3.812) 4.358 4.070 ( -0.323 -5.851 -3.494) 6.823 4.115 ( -1.728 2.220 0.364) 2.837 4.186 ( -6.006 -1.552 -0.351) 6.213 4.223 ( 0.746 -2.373 0.722) 2.590 4.281 ( -2.483 -3.513 -2.223) 4.843 4.367 ( 2.971 0.396 0.517) 3.042 4.463 ( -0.206 -4.769 2.304) 5.301 4.501 ( -1.348 0.338 -1.822) 2.291 4.650 ( 0.390 -2.760 -1.016) 2.967 4.701 ( -1.140 0.380 -1.118) 1.641 4.795 ( -1.997 1.929 -3.442) 4.422 4.908 ( 0.374 1.642 -1.906) 2.544 5.055 ( -2.440 5.144 -3.072) 6.469 5.085 ( 0.392 1.357 7.378) 7.512 5.399 ( 0.841 -3.135 1.016) 3.401 5.633 ( 0.562 -3.304 -1.096) 3.526 5.680 ( -4.162 -3.136 -2.699) 5.869 5.852 ( 0.865 -4.668 7.026) 8.480 5.905 ( -7.299 -4.259 3.321) 9.080 6.106 ( -0.602 -4.006 -0.424) 4.073 6.122 ( 0.815 -1.897 -1.881) 2.793 6.259 ( -3.102 -1.501 1.923) 3.946 6.370 ( 5.552 -6.644 7.048) 11.164 6.419 ( -4.032 -1.039 0.923) 4.265 6.476 ( -2.480 1.945 -5.080) 5.978 6.623 ( -0.437 2.283 2.312) 3.279 6.695 ( 1.952 5.606 -1.740) 6.186 6.847 ( -2.244 2.952 -0.194) 3.713 6.918 ( 0.407 -2.388 2.497) 3.479 6.987 ( 1.326 3.419 -0.301) 3.679 7.029 ( 2.427 -3.861 4.561) 6.450 7.167 ( 1.529 0.357 4.051) 4.344 7.253 ( -0.539 -0.242 -0.432) 0.732 7.387 ( -0.460 0.496 0.603) 0.906 7.495 ( 2.856 -1.197 -3.096) 4.379 7.513 ( 2.261 -1.914 2.090) 3.626 7.636 ( -2.161 1.031 0.404) 2.428 7.713 ( 0.970 0.641 0.717) 1.366 7.809 ( -1.297 3.447 -0.763) 3.761 7.935 ( 1.769 0.782 0.460) 1.988 8.022 ( -0.790 -0.958 0.018) 1.242 8.049 ( 1.832 -1.908 -0.692) 2.735 8.155 ( -1.614 0.582 -1.082) 2.029 8.229 ( -1.128 -1.596 0.924) 2.161 8.285 ( -2.106 -1.690 -0.497) 2.746 8.315 ( -0.967 -1.501 -2.612) 3.164 8.411 ( -0.995 0.049 0.255) 1.029 8.488 ( 3.842 -0.381 0.070) 3.861 8.558 ( -0.606 -0.335 -2.629) 2.718 8.640 ( 0.692 -1.755 0.148) 1.893 8.689 ( -0.365 -2.499 1.790) 3.096 8.791 ( -0.481 1.070 3.309) 3.511 8.999 ( 1.782 3.784 -1.549) 4.460 9.082 ( -1.343 1.208 -3.961) 4.354 9.402 ( 1.919 -1.307 2.548) 3.447 9.436 ( -0.668 -0.716 0.655) 1.178 12.793 ( 0.214 7.174 0.262) 7.182 12.976 ( -11.625 15.937 -4.236) 20.176 14.197 ( 2.285 -2.275 0.555) 3.271 14.724 ( 6.630 -17.227 -5.951) 19.395 16.974 ( 1.177 1.658 1.101) 2.313 16.992 ( 0.343 1.011 -0.450) 1.158 17.012 ( 0.229 2.584 -1.159) 2.841 17.058 ( 3.510 1.193 1.003) 3.841 17.319 ( 1.180 -1.070 -4.747) 5.007 17.335 ( 1.947 -0.875 -2.797) 3.518 17.492 ( -0.108 0.159 2.093) 2.102 17.530 ( -0.190 3.149 -1.480) 3.484 17.726 ( 1.609 1.687 3.399) 4.121 17.856 ( -0.110 -3.127 -0.010) 3.128 18.035 ( -3.434 -0.144 -0.469) 3.469 18.076 ( 0.374 -3.302 0.405) 3.348 18.123 ( -0.856 -0.621 0.704) 1.271 18.141 ( 0.777 -2.649 0.621) 2.829 18.220 ( -0.573 -1.242 0.407) 1.427 18.300 ( -0.645 -2.635 0.473) 2.754 18.771 ( 2.118 2.388 -0.351) 3.211 18.818 ( 1.538 0.092 0.158) 1.549 19.036 ( -3.487 -2.206 0.014) 4.126 19.282 ( -8.625 2.095 6.752) 11.152 19.518 ( 2.398 -0.105 -0.477) 2.447 19.771 ( 4.634 -4.142 0.826) 6.270 19.825 ( -2.398 -4.255 -3.815) 6.197 20.050 ( -2.512 -3.317 -0.142) 4.163 ======================= Grid point 9 (7/80) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( 9.910 15.525 11.088) 21.498 1.098 ( 16.896 19.936 -2.540) 26.256 1.608 ( -1.493 3.262 -17.735) 18.094 1.760 ( -3.058 7.319 -4.051) 8.907 1.867 ( 0.455 2.964 -0.152) 3.003 1.942 ( 8.841 -2.013 4.507) 10.126 2.041 ( -6.516 1.553 -1.898) 6.962 2.130 ( 3.306 0.775 -0.565) 3.443 2.458 ( 6.944 -0.546 8.853) 11.265 2.461 ( -8.455 -3.032 4.571) 10.079 2.526 ( 7.681 4.266 -5.327) 10.275 2.688 ( -2.874 3.943 7.783) 9.186 2.747 ( 5.320 -0.078 -1.847) 5.631 2.853 ( 3.851 8.998 0.622) 9.807 2.984 ( -7.700 -5.237 1.323) 9.406 3.020 ( 0.120 -1.431 -0.743) 1.617 3.237 ( 0.213 0.811 -0.327) 0.900 3.290 ( -5.535 3.174 3.796) 7.424 3.340 ( -4.598 -0.802 -4.606) 6.557 3.467 ( 1.542 -0.536 0.306) 1.661 3.545 ( 1.247 -1.734 -4.168) 4.684 3.698 ( 0.086 1.458 0.291) 1.489 3.783 ( -1.237 0.176 2.531) 2.823 3.951 ( -3.174 0.427 -0.283) 3.215 4.038 ( 3.019 -0.279 -3.131) 4.358 4.070 ( -0.868 -1.856 -1.224) 2.387 4.114 ( -3.821 -0.351 -3.789) 5.392 4.203 ( 0.371 1.878 3.458) 3.952 4.313 ( 3.753 -7.848 0.056) 8.699 4.430 ( -4.213 -1.079 1.440) 4.581 4.450 ( -1.664 -4.046 0.332) 4.388 4.473 ( 1.945 0.621 0.784) 2.187 4.604 ( -1.447 -0.311 -2.748) 3.121 4.689 ( 4.185 1.823 -3.934) 6.026 4.762 ( -0.082 2.156 -0.959) 2.361 4.865 ( -3.637 1.965 -0.270) 4.142 5.022 ( -0.382 3.755 2.132) 4.335 5.185 ( 1.142 1.065 8.554) 8.696 5.399 ( -1.261 2.269 -1.912) 3.224 5.551 ( -3.529 0.665 -3.466) 4.991 5.592 ( -1.000 -3.254 -3.536) 4.908 5.753 ( -5.399 3.002 -3.513) 7.106 5.948 ( -2.005 -5.496 8.249) 10.113 6.078 ( -2.080 -4.489 1.603) 5.201 6.096 ( -0.224 -1.415 -4.030) 4.277 6.170 ( -3.050 -6.169 -0.738) 6.922 6.372 ( -2.782 -0.002 -2.394) 3.670 6.439 ( 1.992 1.076 0.537) 2.326 6.508 ( 0.930 -3.931 4.153) 5.793 6.670 ( 1.907 3.454 2.209) 4.521 6.732 ( 3.238 0.054 2.145) 3.884 6.836 ( 1.071 1.621 -0.787) 2.096 6.962 ( 0.115 -1.155 3.273) 3.472 7.030 ( 3.862 2.755 -1.861) 5.096 7.081 ( 0.213 -7.754 1.164) 7.844 7.171 ( -3.140 -2.954 -0.142) 4.313 7.291 ( 2.962 1.462 2.024) 3.874 7.404 ( 1.649 0.463 -0.065) 1.714 7.498 ( 0.550 0.249 -1.459) 1.579 7.562 ( 0.077 -0.646 1.524) 1.657 7.613 ( -1.031 0.950 1.262) 1.886 7.709 ( -1.072 0.544 -1.408) 1.852 7.782 ( -0.909 3.584 -0.617) 3.749 7.961 ( 1.631 -0.628 -0.769) 1.910 8.011 ( -1.026 0.228 0.689) 1.257 8.083 ( -0.603 -1.106 0.081) 1.263 8.108 ( 0.234 1.520 -0.239) 1.556 8.213 ( -1.358 0.412 0.529) 1.514 8.256 ( -0.419 -2.437 1.062) 2.691 8.283 ( -0.143 -1.476 -1.185) 1.899 8.382 ( -1.225 -0.705 -1.805) 2.292 8.498 ( -0.129 -0.329 -2.766) 2.788 8.565 ( 1.125 1.034 1.714) 2.296 8.658 ( -0.066 -2.167 1.281) 2.518 8.694 ( 0.104 -0.984 0.081) 0.993 8.805 ( -0.936 1.336 1.993) 2.575 9.016 ( 1.447 2.457 -1.845) 3.396 9.036 ( 0.086 0.702 -2.273) 2.380 9.420 ( -0.730 -0.922 0.483) 1.271 9.464 ( 1.284 -1.220 1.638) 2.412 12.792 ( -0.521 7.444 -0.246) 7.466 12.844 ( -1.891 11.013 -0.491) 11.185 14.251 ( 2.299 -2.435 0.568) 3.397 14.679 ( -1.750 -11.422 -5.507) 12.800 16.989 ( 0.530 0.471 -0.934) 1.173 17.010 ( 0.222 0.634 0.510) 0.843 17.083 ( 5.321 -2.706 2.312) 6.402 17.155 ( 4.048 -2.517 1.156) 4.905 17.312 ( 1.767 -1.264 -1.629) 2.715 17.358 ( 0.754 -0.995 1.917) 2.288 17.472 ( -1.513 1.457 -1.350) 2.496 17.572 ( 4.595 1.154 -1.271) 4.905 17.771 ( 0.216 0.353 1.579) 1.633 17.838 ( -2.042 -3.147 0.255) 3.760 17.965 ( -2.705 2.218 0.802) 3.589 18.009 ( -4.512 -0.775 -2.864) 5.401 18.140 ( 0.584 -1.811 1.481) 2.411 18.176 ( 1.679 -3.366 0.225) 3.768 18.209 ( -0.490 -0.919 0.659) 1.232 18.284 ( -1.298 -2.844 0.035) 3.127 18.835 ( 4.191 1.205 -0.460) 4.385 18.854 ( 3.022 1.255 0.028) 3.273 18.958 ( -4.207 -1.006 0.069) 4.326 19.159 ( -9.197 0.948 1.907) 9.440 19.572 ( 2.120 2.556 1.377) 3.595 19.724 ( -2.109 -2.007 -3.714) 4.719 19.818 ( -0.167 -4.418 0.339) 4.434 19.998 ( -2.242 -1.136 -0.092) 2.515 ======================= Grid point 10 (8/80) ======================= q-point: (-0.50 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( -0.000 13.134 0.000) 13.134 1.293 ( 0.000 14.352 0.000) 14.352 1.497 ( 0.000 4.668 0.000) 4.668 1.558 ( -0.000 14.438 -0.000) 14.438 1.779 ( 0.000 3.666 0.000) 3.666 1.892 ( -0.000 2.892 -0.000) 2.892 2.046 ( 0.000 -9.767 -0.000) 9.767 2.389 ( 0.000 -8.454 0.000) 8.454 2.433 ( 0.000 -5.702 0.000) 5.702 2.548 ( 0.000 10.777 0.000) 10.777 2.697 ( -0.000 1.205 0.000) 1.205 2.731 ( -0.000 -1.869 0.000) 1.869 2.794 ( -0.000 2.307 -0.000) 2.307 2.850 ( 0.000 4.746 0.000) 4.746 2.913 ( -0.000 -2.874 -0.000) 2.874 3.001 ( -0.000 3.524 -0.000) 3.524 3.141 ( 0.000 -1.921 0.000) 1.921 3.192 ( 0.000 7.928 0.000) 7.928 3.345 ( -0.000 4.468 0.000) 4.468 3.491 ( -0.000 0.874 -0.000) 0.874 3.506 ( -0.000 -4.234 -0.000) 4.234 3.638 ( 0.000 -7.589 -0.000) 7.589 3.881 ( -0.000 1.505 -0.000) 1.505 3.886 ( 0.000 0.594 -0.000) 0.594 4.002 ( 0.000 -1.812 0.000) 1.812 4.047 ( 0.000 -1.509 -0.000) 1.509 4.102 ( 0.000 6.006 -0.000) 6.006 4.268 ( -0.000 -3.332 0.000) 3.332 4.295 ( -0.000 -1.319 -0.000) 1.319 4.391 ( 0.000 -9.726 0.000) 9.726 4.405 ( -0.000 -0.460 0.000) 0.460 4.525 ( -0.000 0.822 -0.000) 0.822 4.597 ( -0.000 -1.006 0.000) 1.006 4.735 ( 0.000 2.045 0.000) 2.045 4.773 ( 0.000 0.620 -0.000) 0.620 4.779 ( -0.000 5.218 0.000) 5.218 5.037 ( -0.000 0.685 0.000) 0.685 5.276 ( -0.000 3.211 0.000) 3.211 5.340 ( -0.000 1.883 -0.000) 1.883 5.471 ( 0.000 3.611 0.000) 3.611 5.610 ( 0.000 6.467 0.000) 6.467 5.648 ( -0.000 -4.419 -0.000) 4.419 5.957 ( 0.000 -1.837 0.000) 1.837 6.058 ( -0.000 -3.004 -0.000) 3.004 6.114 ( 0.000 -4.653 0.000) 4.653 6.115 ( -0.000 -5.409 -0.000) 5.409 6.328 ( 0.000 -4.340 -0.000) 4.340 6.462 ( -0.000 0.222 0.000) 0.222 6.535 ( 0.000 -0.828 0.000) 0.828 6.696 ( -0.000 5.815 -0.000) 5.815 6.802 ( 0.000 -0.037 0.000) 0.037 6.850 ( 0.000 -3.623 -0.000) 3.623 6.966 ( -0.000 1.716 -0.000) 1.716 7.082 ( -0.000 -9.261 0.000) 9.261 7.088 ( 0.000 -0.258 -0.000) 0.258 7.116 ( -0.000 -3.516 0.000) 3.516 7.337 ( -0.000 2.576 0.000) 2.576 7.424 ( -0.000 0.117 -0.000) 0.117 7.495 ( 0.000 1.141 -0.000) 1.141 7.563 ( 0.000 -0.861 -0.000) 0.861 7.614 ( -0.000 1.154 0.000) 1.154 7.678 ( 0.000 0.627 0.000) 0.627 7.768 ( 0.000 3.372 -0.000) 3.372 7.982 ( 0.000 0.627 -0.000) 0.627 7.996 ( -0.000 -0.417 0.000) 0.417 8.057 ( 0.000 0.298 0.000) 0.298 8.133 ( 0.000 0.841 0.000) 0.841 8.196 ( -0.000 -0.132 0.000) 0.132 8.277 ( -0.000 -1.098 0.000) 1.098 8.277 ( 0.000 -1.254 -0.000) 1.254 8.346 ( -0.000 -1.841 -0.000) 1.841 8.480 ( 0.000 -0.626 0.000) 0.626 8.588 ( 0.000 1.614 0.000) 1.614 8.662 ( 0.000 -2.294 0.000) 2.294 8.696 ( 0.000 0.023 0.000) 0.023 8.803 ( 0.000 1.973 0.000) 1.973 9.018 ( 0.000 0.814 0.000) 0.814 9.031 ( 0.000 1.051 -0.000) 1.051 9.415 ( 0.000 -0.812 -0.000) 0.812 9.486 ( 0.000 -1.340 0.000) 1.340 12.782 ( 0.000 7.236 0.000) 7.236 12.832 ( 0.000 9.595 0.000) 9.595 14.279 ( -0.000 -2.646 -0.000) 2.646 14.626 ( 0.000 -9.284 0.000) 9.284 16.989 ( 0.000 0.345 0.000) 0.345 17.014 ( 0.000 0.588 0.000) 0.588 17.158 ( 0.000 -6.504 0.000) 6.504 17.200 ( 0.000 -4.129 0.000) 4.129 17.338 ( -0.000 0.025 -0.000) 0.025 17.397 ( 0.000 0.043 0.000) 0.043 17.422 ( 0.000 0.500 -0.000) 0.500 17.629 ( 0.000 -0.449 0.000) 0.449 17.778 ( -0.000 -0.953 0.000) 0.953 17.818 ( 0.000 -1.962 0.000) 1.962 17.916 ( -0.000 0.845 -0.000) 0.845 17.949 ( 0.000 2.145 0.000) 2.145 18.158 ( -0.000 -1.180 0.000) 1.180 18.179 ( -0.000 -1.691 0.000) 1.691 18.235 ( 0.000 -4.104 0.000) 4.104 18.257 ( -0.000 -1.730 -0.000) 1.730 18.884 ( 0.000 -0.951 -0.000) 0.951 18.888 ( -0.000 0.203 0.000) 0.203 18.962 ( 0.000 3.411 -0.000) 3.411 19.009 ( -0.000 0.695 0.000) 0.695 19.596 ( 0.000 1.134 0.000) 1.134 19.690 ( 0.000 1.330 -0.000) 1.330 19.812 ( 0.000 -5.410 0.000) 5.410 19.975 ( 0.000 0.053 0.000) 0.053 ======================= Grid point 14 (9/80) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( 0.000 22.183 0.000) 22.183 1.300 ( 0.000 30.032 0.000) 30.032 1.400 ( 0.000 30.792 0.000) 30.792 1.764 ( 0.000 -2.943 0.000) 2.943 2.044 ( 0.000 -1.345 0.000) 1.345 2.140 ( 0.000 4.524 0.000) 4.524 2.212 ( 0.000 -5.451 0.000) 5.451 2.335 ( 0.000 -2.452 0.000) 2.452 2.412 ( 0.000 7.256 0.000) 7.256 2.469 ( 0.000 10.504 0.000) 10.504 2.792 ( 0.000 10.075 0.000) 10.075 2.827 ( 0.000 4.957 0.000) 4.957 2.870 ( 0.000 0.629 0.000) 0.629 2.921 ( 0.000 7.257 0.000) 7.257 3.021 ( 0.000 -9.688 0.000) 9.688 3.043 ( 0.000 0.280 0.000) 0.280 3.116 ( 0.000 8.272 0.000) 8.272 3.241 ( 0.000 2.977 0.000) 2.977 3.341 ( 0.000 -10.302 0.000) 10.302 3.482 ( 0.000 4.094 0.000) 4.094 3.551 ( 0.000 6.752 0.000) 6.752 3.757 ( 0.000 2.701 0.000) 2.701 3.858 ( 0.000 3.124 0.000) 3.124 3.895 ( 0.000 -11.267 0.000) 11.267 4.027 ( 0.000 1.668 0.000) 1.668 4.069 ( 0.000 -1.064 0.000) 1.064 4.152 ( 0.000 -8.670 0.000) 8.670 4.158 ( 0.000 -3.327 0.000) 3.327 4.322 ( 0.000 -0.819 0.000) 0.819 4.325 ( 0.000 -3.477 0.000) 3.477 4.403 ( 0.000 0.780 0.000) 0.780 4.577 ( 0.000 -6.820 0.000) 6.820 4.577 ( 0.000 3.298 0.000) 3.298 4.626 ( 0.000 -3.820 0.000) 3.820 4.879 ( 0.000 0.820 0.000) 0.820 4.943 ( 0.000 -0.169 0.000) 0.169 5.092 ( 0.000 3.903 0.000) 3.903 5.190 ( 0.000 0.749 0.000) 0.749 5.240 ( 0.000 -4.406 0.000) 4.406 5.496 ( 0.000 -2.935 0.000) 2.935 5.593 ( 0.000 -4.512 0.000) 4.512 5.875 ( 0.000 -2.165 0.000) 2.165 5.879 ( 0.000 -5.345 0.000) 5.345 5.953 ( 0.000 -4.333 0.000) 4.333 6.016 ( 0.000 -8.554 0.000) 8.554 6.093 ( 0.000 -5.434 0.000) 5.434 6.238 ( 0.000 -2.811 0.000) 2.811 6.382 ( 0.000 -8.155 0.000) 8.155 6.602 ( 0.000 2.224 0.000) 2.224 6.697 ( 0.000 1.947 0.000) 1.947 6.796 ( 0.000 2.773 0.000) 2.773 6.876 ( 0.000 3.882 0.000) 3.882 6.877 ( 0.000 2.562 0.000) 2.562 6.981 ( 0.000 1.354 0.000) 1.354 7.038 ( 0.000 1.504 0.000) 1.504 7.124 ( 0.000 1.949 0.000) 1.949 7.319 ( 0.000 2.211 0.000) 2.211 7.393 ( 0.000 -4.059 0.000) 4.059 7.447 ( 0.000 1.230 0.000) 1.230 7.457 ( 0.000 3.670 0.000) 3.670 7.653 ( 0.000 -1.640 0.000) 1.640 7.743 ( 0.000 2.635 0.000) 2.635 7.868 ( 0.000 1.267 0.000) 1.267 7.925 ( 0.000 -2.698 0.000) 2.698 7.989 ( 0.000 -1.915 0.000) 1.915 8.015 ( 0.000 1.732 0.000) 1.732 8.141 ( 0.000 -5.427 0.000) 5.427 8.173 ( 0.000 -1.737 0.000) 1.737 8.256 ( 0.000 -2.943 0.000) 2.943 8.359 ( 0.000 1.033 0.000) 1.033 8.428 ( 0.000 1.158 0.000) 1.158 8.454 ( 0.000 1.399 0.000) 1.399 8.540 ( 0.000 -2.209 0.000) 2.209 8.608 ( 0.000 -3.050 0.000) 3.050 8.639 ( 0.000 0.721 0.000) 0.721 8.795 ( 0.000 0.529 0.000) 0.529 9.086 ( 0.000 4.669 0.000) 4.669 9.161 ( 0.000 2.052 0.000) 2.052 9.329 ( 0.000 -1.762 0.000) 1.762 9.419 ( 0.000 -1.374 0.000) 1.374 12.987 ( 0.000 11.868 0.000) 11.868 13.348 ( 0.000 3.316 0.000) 3.316 14.092 ( 0.000 -5.159 0.000) 5.159 14.358 ( 0.000 -10.599 0.000) 10.599 17.001 ( 0.000 2.132 0.000) 2.132 17.005 ( 0.000 0.227 0.000) 0.227 17.060 ( 0.000 1.564 0.000) 1.564 17.109 ( 0.000 3.344 0.000) 3.344 17.371 ( 0.000 3.363 0.000) 3.363 17.413 ( 0.000 3.201 0.000) 3.201 17.468 ( 0.000 0.947 0.000) 0.947 17.607 ( 0.000 -2.127 0.000) 2.127 17.690 ( 0.000 3.394 0.000) 3.394 17.770 ( 0.000 -5.463 0.000) 5.463 17.954 ( 0.000 -6.876 0.000) 6.876 18.023 ( 0.000 0.081 0.000) 0.081 18.126 ( 0.000 0.291 0.000) 0.291 18.146 ( 0.000 0.373 0.000) 0.373 18.176 ( 0.000 -2.165 0.000) 2.165 18.270 ( 0.000 -0.889 0.000) 0.889 18.799 ( 0.000 2.026 0.000) 2.026 18.807 ( 0.000 0.290 0.000) 0.290 19.010 ( 0.000 -3.212 0.000) 3.212 19.293 ( 0.000 -6.921 0.000) 6.921 19.490 ( 0.000 3.741 0.000) 3.741 19.679 ( 0.000 -0.233 0.000) 0.233 19.731 ( 0.000 -7.973 0.000) 7.973 19.965 ( 0.000 -6.289 0.000) 6.289 ======================= Grid point 15 (10/80) ======================= q-point: ( 0.17 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( 12.252 17.494 10.206) 23.671 1.329 ( 1.671 27.677 8.497) 29.000 1.572 ( 13.322 18.019 0.528) 22.415 1.744 ( 6.084 2.967 -8.568) 10.919 2.019 ( -4.334 2.073 -5.137) 7.034 2.105 ( -2.434 3.553 -4.533) 6.253 2.182 ( -2.237 -3.108 3.388) 5.113 2.248 ( -3.434 3.976 -4.963) 7.227 2.413 ( 3.299 -0.102 1.517) 3.633 2.509 ( -1.149 9.463 -0.570) 9.550 2.651 ( -5.376 3.189 0.828) 6.305 2.715 ( -12.549 1.219 -2.720) 12.899 2.863 ( -1.077 3.089 1.253) 3.503 2.915 ( 0.164 7.594 -1.576) 7.758 2.997 ( -4.712 -8.544 0.755) 9.787 3.074 ( 1.921 7.640 1.053) 7.948 3.143 ( 0.366 -1.350 4.079) 4.312 3.268 ( -1.161 -7.700 -0.909) 7.840 3.374 ( 9.878 3.638 -0.533) 10.540 3.476 ( -1.642 6.147 2.487) 6.831 3.596 ( -0.193 8.426 3.056) 8.965 3.758 ( 1.768 -0.019 -2.840) 3.345 3.887 ( 0.029 -9.804 -0.447) 9.814 3.912 ( -1.833 1.705 1.216) 2.783 3.991 ( 0.532 1.619 -2.515) 3.038 4.066 ( -1.471 -3.368 -0.750) 3.751 4.119 ( -2.273 -4.544 -1.077) 5.194 4.187 ( 0.399 -4.363 1.372) 4.591 4.231 ( 1.077 -1.447 -5.974) 6.240 4.295 ( -2.514 -1.482 4.449) 5.320 4.433 ( 0.548 -0.732 0.158) 0.928 4.522 ( -1.488 0.308 -4.758) 4.995 4.602 ( 0.953 -1.221 0.925) 1.805 4.691 ( 2.622 -2.015 2.988) 4.456 4.834 ( -2.857 1.252 -1.840) 3.621 4.920 ( -1.058 -0.636 -0.593) 1.370 5.105 ( 0.445 1.906 -1.906) 2.732 5.159 ( 1.047 3.990 0.375) 4.142 5.320 ( 3.474 -4.275 3.853) 6.722 5.572 ( 3.403 -2.389 2.076) 4.647 5.594 ( -3.389 -5.594 -4.535) 7.958 5.729 ( -2.450 -6.254 5.724) 8.825 5.849 ( -1.071 -2.986 -2.100) 3.804 5.992 ( -1.782 -5.859 -0.308) 6.132 6.047 ( -0.465 -3.709 -1.751) 4.128 6.224 ( 6.248 -6.988 11.494) 14.832 6.246 ( -3.528 -1.020 0.306) 3.685 6.365 ( -0.319 -4.687 5.728) 7.408 6.542 ( -0.934 1.193 -4.285) 4.545 6.603 ( -5.660 -0.443 -5.738) 8.072 6.798 ( 0.429 3.401 -1.600) 3.783 6.884 ( 0.797 1.506 0.217) 1.718 6.896 ( 1.469 2.384 -2.124) 3.515 6.975 ( -0.336 -2.117 -0.954) 2.347 7.046 ( 0.915 2.629 3.391) 4.387 7.177 ( 0.684 0.427 4.139) 4.217 7.299 ( -0.148 4.310 -3.607) 5.622 7.367 ( 0.041 -2.423 -1.100) 2.661 7.481 ( 1.285 1.137 2.092) 2.706 7.512 ( 4.352 0.708 -0.456) 4.433 7.640 ( -1.604 -0.577 0.951) 1.952 7.742 ( -0.004 1.291 -0.570) 1.411 7.877 ( -0.112 2.914 -0.010) 2.916 7.909 ( 0.123 -3.032 -0.379) 3.058 8.006 ( 1.735 -0.971 -0.849) 2.162 8.040 ( 0.993 1.104 1.542) 2.140 8.132 ( -2.693 -2.495 1.520) 3.973 8.170 ( 1.162 -3.474 1.174) 3.846 8.242 ( -0.142 -1.793 -2.470) 3.056 8.327 ( -2.063 1.780 -1.020) 2.910 8.412 ( -2.241 0.016 0.967) 2.441 8.493 ( 3.158 0.258 -0.180) 3.174 8.546 ( -0.377 -0.796 -0.280) 0.924 8.597 ( 1.114 -2.266 -1.663) 3.023 8.647 ( -0.200 -0.952 1.867) 2.105 8.804 ( -0.496 0.189 2.280) 2.341 9.086 ( 0.775 4.047 -1.657) 4.442 9.119 ( -1.421 2.554 -3.352) 4.447 9.367 ( 1.660 -2.065 2.135) 3.403 9.414 ( -0.432 -1.418 0.278) 1.508 12.995 ( 0.345 12.064 0.623) 12.085 13.225 ( -7.699 9.276 -2.676) 12.348 14.119 ( 2.097 -5.420 0.584) 5.841 14.405 ( 3.221 -13.980 -1.533) 14.428 16.998 ( 0.581 0.447 -1.729) 1.878 17.010 ( -0.299 0.878 1.593) 1.843 17.066 ( -0.935 1.878 -0.374) 2.131 17.083 ( -0.759 2.130 -0.051) 2.261 17.317 ( -1.644 0.833 -2.672) 3.246 17.349 ( -1.100 1.769 -2.376) 3.160 17.507 ( 0.441 1.291 1.673) 2.159 17.580 ( -0.362 1.612 0.475) 1.719 17.737 ( 0.176 -2.238 0.198) 2.254 17.777 ( 1.044 -3.421 0.294) 3.589 17.966 ( 0.752 -4.359 1.716) 4.745 18.056 ( 0.558 0.224 0.091) 0.608 18.101 ( -0.524 -0.547 -1.509) 1.688 18.130 ( -1.748 0.404 1.084) 2.096 18.182 ( 0.281 -1.855 0.482) 1.937 18.261 ( -1.013 -1.095 0.321) 1.526 18.807 ( 0.693 0.350 0.370) 0.860 18.829 ( 1.926 1.228 0.130) 2.288 18.982 ( -2.323 -2.837 -0.464) 3.696 19.248 ( -4.669 -4.549 1.354) 6.657 19.550 ( 3.699 2.410 1.301) 4.602 19.691 ( -0.151 -5.052 -1.375) 5.238 19.725 ( 0.734 -4.473 -0.760) 4.596 19.961 ( -0.221 -4.520 0.659) 4.573 ======================= Grid point 16 (11/80) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( 4.255 18.972 13.884) 23.892 1.525 ( 11.836 18.589 -2.410) 22.168 1.646 ( 3.369 -0.086 -7.749) 8.450 1.833 ( 0.580 3.786 -10.815) 11.473 1.978 ( -4.297 4.558 -5.692) 8.463 2.058 ( 9.600 12.764 3.079) 16.266 2.093 ( -4.521 2.739 -1.987) 5.647 2.150 ( -4.315 -0.224 -0.281) 4.330 2.364 ( -13.068 -2.285 1.867) 13.397 2.495 ( 1.993 2.947 8.248) 8.983 2.600 ( 8.021 2.951 2.031) 8.785 2.664 ( 0.143 -1.413 3.583) 3.854 2.822 ( -9.887 -4.576 3.994) 11.604 2.877 ( 1.290 0.817 -1.645) 2.245 2.973 ( 4.083 0.036 -0.198) 4.088 3.106 ( 0.043 7.783 -2.297) 8.115 3.154 ( 0.264 -0.061 3.977) 3.986 3.302 ( 0.973 0.364 -0.779) 1.298 3.449 ( -1.727 4.571 -1.175) 5.026 3.519 ( 1.812 2.792 -1.338) 3.588 3.590 ( 0.355 9.259 1.000) 9.319 3.684 ( -6.270 -3.094 -5.057) 8.629 3.806 ( -2.301 0.456 0.298) 2.365 3.912 ( 0.365 -4.824 2.878) 5.629 3.993 ( -3.158 -1.833 -1.944) 4.137 4.038 ( 0.128 1.537 -3.357) 3.695 4.077 ( 2.663 -4.868 -4.278) 7.006 4.141 ( -0.488 -6.790 1.381) 6.946 4.298 ( 2.579 3.781 4.032) 6.099 4.344 ( 0.066 -4.270 1.499) 4.526 4.419 ( -3.210 -0.760 0.217) 3.306 4.443 ( 0.766 -2.691 -3.439) 4.433 4.595 ( -1.601 -0.751 -1.956) 2.636 4.752 ( 3.106 3.276 -0.072) 4.515 4.790 ( -0.438 0.252 -0.704) 0.866 4.908 ( -1.282 1.287 2.110) 2.785 5.059 ( -0.526 0.909 -4.300) 4.426 5.249 ( 3.433 4.628 6.297) 8.536 5.416 ( -0.802 -1.807 0.744) 2.112 5.465 ( 0.837 -5.385 -0.955) 5.533 5.602 ( -0.712 0.656 -2.835) 2.996 5.806 ( -2.000 1.163 -1.959) 3.032 5.822 ( 1.880 -7.169 7.046) 10.227 5.940 ( -1.892 -6.144 0.297) 6.436 6.012 ( -0.694 -5.586 -1.694) 5.878 6.116 ( -5.420 0.330 -2.798) 6.108 6.378 ( -5.915 -0.777 -3.743) 7.043 6.418 ( 1.026 -3.715 9.196) 9.971 6.455 ( 1.307 1.099 -0.716) 1.852 6.616 ( 5.826 -5.934 6.957) 10.842 6.783 ( 0.326 2.295 -2.099) 3.127 6.865 ( -0.514 0.120 -4.742) 4.771 6.909 ( 0.589 -2.990 -1.730) 3.504 6.955 ( -0.751 -3.022 1.573) 3.489 7.104 ( -1.027 -0.627 2.745) 2.997 7.144 ( -1.247 3.964 -2.993) 5.121 7.330 ( 4.186 3.029 -0.115) 5.168 7.373 ( 1.390 -2.864 -1.397) 3.477 7.527 ( 0.564 2.316 2.991) 3.825 7.559 ( 0.758 0.017 -0.877) 1.159 7.625 ( -0.852 0.083 1.401) 1.642 7.713 ( -1.224 -0.373 -2.588) 2.887 7.858 ( -0.812 3.128 -0.538) 3.276 7.943 ( 2.411 -1.179 0.366) 2.709 8.021 ( -0.978 0.475 1.142) 1.577 8.031 ( -1.531 -3.028 0.236) 3.401 8.140 ( 2.423 2.281 -0.343) 3.345 8.216 ( 1.510 -0.932 1.241) 2.165 8.230 ( 0.458 -0.717 1.116) 1.404 8.276 ( -1.599 1.501 -1.699) 2.775 8.359 ( -3.320 -1.205 -0.651) 3.591 8.499 ( -0.728 0.576 -2.840) 2.988 8.565 ( 1.665 -1.286 2.124) 2.990 8.614 ( -0.061 -1.808 1.302) 2.229 8.674 ( 1.638 -0.888 0.486) 1.926 8.814 ( -0.730 -0.490 1.956) 2.144 9.063 ( -0.707 2.244 -2.375) 3.343 9.085 ( 0.697 3.777 -2.158) 4.406 9.393 ( -0.402 -1.765 0.514) 1.882 9.428 ( 1.004 -2.232 1.132) 2.696 12.996 ( -0.790 11.884 -0.192) 11.912 13.101 ( -2.784 12.969 -0.597) 13.278 14.165 ( 1.724 -6.335 0.283) 6.572 14.413 ( 0.160 -13.137 -2.035) 13.295 16.989 ( 0.250 -0.484 -1.544) 1.637 17.019 ( -0.410 -0.067 0.887) 0.980 17.031 ( 0.288 -1.931 -0.978) 2.184 17.107 ( 1.304 -2.167 -0.005) 2.529 17.306 ( 0.802 0.873 1.595) 1.987 17.348 ( -0.608 -0.040 4.598) 4.638 17.493 ( -1.414 0.888 -2.085) 2.671 17.603 ( 2.738 1.483 -1.827) 3.610 17.716 ( -1.120 -4.876 -0.742) 5.057 17.783 ( -0.216 -3.002 -0.341) 3.029 17.985 ( -0.796 0.203 0.149) 0.835 18.006 ( -3.854 0.723 0.118) 3.924 18.109 ( 1.609 -1.449 -0.213) 2.176 18.128 ( 0.656 -0.821 0.080) 1.054 18.191 ( 0.058 -0.478 0.398) 0.625 18.245 ( -1.123 -0.740 0.940) 1.641 18.830 ( 1.472 -1.215 -0.130) 1.913 18.875 ( 1.510 -0.632 0.526) 1.719 18.939 ( -0.241 -0.157 -0.051) 0.292 19.147 ( -6.491 -2.020 0.124) 6.799 19.581 ( 0.105 -3.474 -2.749) 4.432 19.694 ( -1.331 -6.088 -0.082) 6.233 19.726 ( 2.437 2.404 1.543) 3.755 19.972 ( 0.070 -1.043 0.828) 1.334 ======================= Grid point 17 (12/80) ======================= q-point: (-0.50 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( -0.000 16.475 -0.000) 16.475 1.589 ( -0.000 3.728 0.000) 3.728 1.655 ( 0.000 16.246 0.000) 16.246 1.818 ( 0.000 1.375 -0.000) 1.375 1.911 ( -0.000 13.962 -0.000) 13.962 1.970 ( 0.000 4.166 0.000) 4.166 1.976 ( 0.000 6.907 -0.000) 6.907 2.216 ( -0.000 -7.320 0.000) 7.320 2.265 ( 0.000 -8.157 0.000) 8.157 2.607 ( 0.000 -3.413 0.000) 3.413 2.711 ( -0.000 0.856 0.000) 0.856 2.739 ( 0.000 -1.051 -0.000) 1.051 2.793 ( 0.000 -4.809 -0.000) 4.809 2.867 ( 0.000 3.873 0.000) 3.873 3.032 ( -0.000 8.041 0.000) 8.041 3.092 ( -0.000 6.182 0.000) 6.182 3.139 ( 0.000 3.498 -0.000) 3.498 3.320 ( 0.000 -1.395 -0.000) 1.395 3.389 ( -0.000 6.852 -0.000) 6.852 3.464 ( -0.000 -1.384 0.000) 1.384 3.574 ( 0.000 -1.662 -0.000) 1.662 3.607 ( 0.000 11.815 0.000) 11.815 3.847 ( 0.000 -5.253 -0.000) 5.253 3.894 ( -0.000 0.356 0.000) 0.356 3.941 ( -0.000 -2.146 0.000) 2.146 4.011 ( 0.000 -0.542 -0.000) 0.542 4.132 ( -0.000 -10.772 0.000) 10.772 4.144 ( 0.000 -2.891 0.000) 2.891 4.305 ( -0.000 2.276 0.000) 2.276 4.338 ( 0.000 3.712 -0.000) 3.712 4.382 ( 0.000 -0.904 -0.000) 0.904 4.466 ( 0.000 -5.543 -0.000) 5.543 4.561 ( 0.000 -1.784 -0.000) 1.784 4.772 ( 0.000 0.769 0.000) 0.769 4.807 ( 0.000 2.156 -0.000) 2.156 4.900 ( -0.000 5.508 -0.000) 5.508 5.027 ( 0.000 -0.973 0.000) 0.973 5.358 ( -0.000 3.987 0.000) 3.987 5.362 ( -0.000 0.056 -0.000) 0.056 5.534 ( -0.000 -6.087 -0.000) 6.087 5.537 ( 0.000 1.708 0.000) 1.708 5.750 ( 0.000 5.416 -0.000) 5.416 5.887 ( 0.000 -5.443 0.000) 5.443 5.943 ( 0.000 -7.099 0.000) 7.099 5.996 ( 0.000 -5.670 0.000) 5.670 6.045 ( -0.000 -1.152 -0.000) 1.152 6.260 ( 0.000 -0.315 -0.000) 0.315 6.443 ( 0.000 -1.551 0.000) 1.551 6.529 ( -0.000 -0.572 -0.000) 0.572 6.747 ( 0.000 -5.814 0.000) 5.814 6.775 ( -0.000 1.644 -0.000) 1.644 6.820 ( -0.000 1.622 -0.000) 1.622 6.870 ( 0.000 -10.255 0.000) 10.255 6.985 ( -0.000 -0.170 -0.000) 0.170 7.045 ( 0.000 -3.853 -0.000) 3.853 7.155 ( -0.000 6.642 0.000) 6.642 7.368 ( 0.000 -3.934 0.000) 3.934 7.395 ( -0.000 3.335 0.000) 3.335 7.541 ( 0.000 -0.509 -0.000) 0.509 7.556 ( 0.000 2.196 -0.000) 2.196 7.631 ( -0.000 0.720 -0.000) 0.720 7.677 ( 0.000 -0.558 0.000) 0.558 7.845 ( 0.000 3.452 0.000) 3.452 7.976 ( 0.000 -3.288 -0.000) 3.288 8.000 ( -0.000 0.748 0.000) 0.748 8.028 ( -0.000 -0.283 0.000) 0.283 8.173 ( -0.000 3.326 0.000) 3.326 8.222 ( 0.000 2.446 0.000) 2.446 8.261 ( -0.000 -0.439 -0.000) 0.439 8.276 ( 0.000 0.334 0.000) 0.334 8.287 ( -0.000 -3.498 -0.000) 3.498 8.473 ( -0.000 0.228 0.000) 0.228 8.596 ( 0.000 -1.098 0.000) 1.098 8.619 ( 0.000 -1.801 -0.000) 1.801 8.697 ( 0.000 0.031 0.000) 0.031 8.817 ( 0.000 -0.955 -0.000) 0.955 9.043 ( 0.000 2.280 0.000) 2.280 9.079 ( 0.000 3.247 0.000) 3.247 9.390 ( 0.000 -1.666 0.000) 1.666 9.446 ( 0.000 -2.510 0.000) 2.510 12.981 ( 0.000 11.501 0.000) 11.501 13.080 ( 0.000 13.727 0.000) 13.727 14.182 ( 0.000 -7.242 0.000) 7.242 14.401 ( 0.000 -11.312 0.000) 11.312 16.983 ( 0.000 -1.014 -0.000) 1.014 17.018 ( 0.000 -1.180 0.000) 1.180 17.036 ( -0.000 -4.214 0.000) 4.214 17.117 ( 0.000 -3.999 0.000) 3.999 17.339 ( -0.000 0.561 -0.000) 0.561 17.394 ( 0.000 -0.093 0.000) 0.093 17.435 ( -0.000 0.974 -0.000) 0.974 17.623 ( 0.000 -0.244 0.000) 0.244 17.699 ( -0.000 -5.396 -0.000) 5.396 17.781 ( 0.000 -1.907 0.000) 1.907 17.946 ( 0.000 1.694 -0.000) 1.694 17.980 ( -0.000 0.654 0.000) 0.654 18.132 ( -0.000 -2.284 0.000) 2.284 18.135 ( 0.000 -1.409 -0.000) 1.409 18.193 ( 0.000 0.562 -0.000) 0.562 18.239 ( -0.000 0.170 -0.000) 0.170 18.856 ( 0.000 -1.842 0.000) 1.842 18.864 ( -0.000 -2.583 0.000) 2.583 19.014 ( 0.000 1.209 0.000) 1.209 19.020 ( -0.000 0.245 -0.000) 0.245 19.562 ( 0.000 -3.853 0.000) 3.853 19.667 ( 0.000 -8.264 -0.000) 8.264 19.778 ( -0.000 5.916 -0.000) 5.916 19.974 ( 0.000 0.022 0.000) 0.022 ======================= Grid point 21 (13/80) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( 0.000 22.206 0.000) 22.206 1.736 ( 0.000 3.521 0.000) 3.521 1.891 ( 0.000 8.681 0.000) 8.681 1.909 ( 0.000 25.931 0.000) 25.931 2.075 ( 0.000 0.577 0.000) 0.577 2.117 ( 0.000 8.577 0.000) 8.577 2.240 ( 0.000 4.297 0.000) 4.297 2.260 ( 0.000 -4.305 0.000) 4.305 2.549 ( 0.000 5.325 0.000) 5.325 2.603 ( 0.000 -8.348 0.000) 8.348 2.751 ( 0.000 5.664 0.000) 5.664 2.861 ( 0.000 -1.226 0.000) 1.226 2.941 ( 0.000 -1.354 0.000) 1.354 3.018 ( 0.000 1.016 0.000) 1.016 3.024 ( 0.000 8.820 0.000) 8.820 3.131 ( 0.000 -5.008 0.000) 5.008 3.166 ( 0.000 4.021 0.000) 4.021 3.316 ( 0.000 6.991 0.000) 6.991 3.338 ( 0.000 7.673 0.000) 7.673 3.476 ( 0.000 -0.087 0.000) 0.087 3.593 ( 0.000 -3.235 0.000) 3.235 3.620 ( 0.000 -12.127 0.000) 12.127 3.807 ( 0.000 -0.629 0.000) 0.629 3.919 ( 0.000 -8.958 0.000) 8.958 3.978 ( 0.000 3.889 0.000) 3.889 4.029 ( 0.000 -0.130 0.000) 0.130 4.096 ( 0.000 2.247 0.000) 2.247 4.155 ( 0.000 2.916 0.000) 2.916 4.302 ( 0.000 -2.033 0.000) 2.033 4.319 ( 0.000 -0.379 0.000) 0.379 4.381 ( 0.000 -1.166 0.000) 1.166 4.437 ( 0.000 -5.561 0.000) 5.561 4.549 ( 0.000 -2.414 0.000) 2.414 4.661 ( 0.000 4.596 0.000) 4.596 4.845 ( 0.000 -4.153 0.000) 4.153 4.909 ( 0.000 -2.780 0.000) 2.780 5.166 ( 0.000 -2.474 0.000) 2.474 5.191 ( 0.000 5.922 0.000) 5.922 5.206 ( 0.000 0.278 0.000) 0.278 5.429 ( 0.000 -3.428 0.000) 3.428 5.489 ( 0.000 -5.192 0.000) 5.192 5.733 ( 0.000 -9.217 0.000) 9.217 5.813 ( 0.000 -1.970 0.000) 1.970 5.864 ( 0.000 -4.881 0.000) 4.881 5.880 ( 0.000 -3.103 0.000) 3.103 6.031 ( 0.000 -1.264 0.000) 1.264 6.140 ( 0.000 -6.358 0.000) 6.358 6.202 ( 0.000 -8.304 0.000) 8.304 6.647 ( 0.000 2.314 0.000) 2.314 6.718 ( 0.000 0.651 0.000) 0.651 6.832 ( 0.000 2.349 0.000) 2.349 6.963 ( 0.000 2.470 0.000) 2.470 6.992 ( 0.000 4.211 0.000) 4.211 6.994 ( 0.000 1.848 0.000) 1.848 7.073 ( 0.000 2.904 0.000) 2.904 7.199 ( 0.000 4.721 0.000) 4.721 7.316 ( 0.000 -3.351 0.000) 3.351 7.361 ( 0.000 1.678 0.000) 1.678 7.493 ( 0.000 3.047 0.000) 3.047 7.529 ( 0.000 2.821 0.000) 2.821 7.617 ( 0.000 -1.849 0.000) 1.849 7.748 ( 0.000 -2.284 0.000) 2.284 7.861 ( 0.000 -2.367 0.000) 2.367 7.890 ( 0.000 0.902 0.000) 0.902 7.967 ( 0.000 -0.805 0.000) 0.805 8.034 ( 0.000 -0.453 0.000) 0.453 8.043 ( 0.000 -3.635 0.000) 3.635 8.113 ( 0.000 -3.720 0.000) 3.720 8.223 ( 0.000 0.534 0.000) 0.534 8.390 ( 0.000 1.795 0.000) 1.795 8.443 ( 0.000 0.284 0.000) 0.284 8.457 ( 0.000 -1.526 0.000) 1.526 8.507 ( 0.000 -0.673 0.000) 0.673 8.556 ( 0.000 -1.793 0.000) 1.793 8.674 ( 0.000 2.465 0.000) 2.465 8.796 ( 0.000 -0.504 0.000) 0.504 9.165 ( 0.000 2.874 0.000) 2.874 9.215 ( 0.000 3.203 0.000) 3.203 9.290 ( 0.000 -1.975 0.000) 1.975 9.385 ( 0.000 -1.938 0.000) 1.938 13.258 ( 0.000 14.155 0.000) 14.155 13.443 ( 0.000 5.945 0.000) 5.945 13.956 ( 0.000 -7.995 0.000) 7.995 14.117 ( 0.000 -12.578 0.000) 12.578 17.001 ( 0.000 -0.394 0.000) 0.394 17.013 ( 0.000 -0.599 0.000) 0.599 17.131 ( 0.000 5.283 0.000) 5.283 17.201 ( 0.000 5.441 0.000) 5.441 17.437 ( 0.000 2.611 0.000) 2.611 17.474 ( 0.000 1.536 0.000) 1.536 17.499 ( 0.000 1.422 0.000) 1.422 17.561 ( 0.000 -2.155 0.000) 2.155 17.650 ( 0.000 -5.129 0.000) 5.129 17.705 ( 0.000 -3.188 0.000) 3.188 17.865 ( 0.000 0.108 0.000) 0.108 18.009 ( 0.000 -1.398 0.000) 1.398 18.133 ( 0.000 0.244 0.000) 0.244 18.148 ( 0.000 -0.720 0.000) 0.720 18.161 ( 0.000 1.240 0.000) 1.240 18.254 ( 0.000 -0.854 0.000) 0.854 18.810 ( 0.000 0.196 0.000) 0.196 18.836 ( 0.000 1.546 0.000) 1.546 18.949 ( 0.000 -2.534 0.000) 2.534 19.150 ( 0.000 -6.907 0.000) 6.907 19.537 ( 0.000 -2.780 0.000) 2.780 19.613 ( 0.000 0.793 0.000) 0.793 19.620 ( 0.000 -5.272 0.000) 5.272 19.852 ( 0.000 -4.247 0.000) 4.247 ======================= Grid point 22 (14/80) ======================= q-point: ( 0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( 9.061 18.631 8.488) 22.389 1.616 ( -4.005 -0.437 -6.394) 7.557 1.868 ( -4.930 21.671 10.674) 24.655 2.021 ( 2.019 2.770 0.892) 3.542 2.049 ( -2.661 -0.451 1.175) 2.944 2.143 ( 0.906 7.165 -7.500) 10.412 2.267 ( 2.516 4.491 -2.419) 5.688 2.284 ( 3.945 9.623 3.445) 10.956 2.412 ( -0.791 1.167 -6.345) 6.500 2.641 ( -0.731 -1.889 2.047) 2.880 2.695 ( -10.467 -2.733 -1.646) 10.942 2.737 ( -4.038 2.800 -0.950) 5.004 2.881 ( -9.306 5.201 -1.496) 10.765 2.889 ( -3.954 -3.815 -5.627) 7.864 2.968 ( -2.486 1.440 1.180) 3.106 3.146 ( -4.363 4.010 1.368) 6.082 3.182 ( 4.078 -1.615 2.733) 5.168 3.330 ( 6.862 9.121 0.623) 11.431 3.472 ( 1.013 1.241 3.940) 4.253 3.496 ( 0.755 1.487 1.954) 2.569 3.640 ( 0.230 -9.433 2.522) 9.767 3.679 ( 8.086 -2.782 -1.479) 8.678 3.805 ( 3.272 -0.110 -5.429) 6.340 3.910 ( -6.001 -1.392 0.799) 6.212 3.983 ( -0.141 -0.618 2.698) 2.771 4.017 ( -0.616 1.760 -0.199) 1.876 4.076 ( 1.087 -1.258 -0.866) 1.874 4.155 ( 0.402 4.274 -3.292) 5.410 4.242 ( 0.225 0.738 -2.683) 2.791 4.290 ( -4.956 -0.395 1.921) 5.330 4.360 ( 0.024 -6.981 -1.994) 7.260 4.480 ( 2.935 -2.983 -4.157) 5.899 4.597 ( 1.533 -2.131 1.160) 2.870 4.675 ( 2.591 3.529 2.332) 4.961 4.823 ( -1.730 -2.768 -0.582) 3.316 4.895 ( -0.736 -1.349 0.414) 1.592 5.152 ( 0.163 2.323 -4.145) 4.754 5.223 ( 3.762 1.249 0.487) 3.994 5.244 ( 2.335 -1.977 3.076) 4.339 5.452 ( -2.030 -6.500 -4.286) 8.046 5.530 ( 3.432 -3.128 6.459) 7.955 5.613 ( -2.378 -4.814 -0.847) 5.436 5.768 ( -0.443 -3.158 -2.797) 4.242 5.911 ( -0.854 -2.264 5.001) 5.556 5.987 ( -1.283 -2.242 -3.511) 4.359 6.098 ( 5.614 -5.060 12.432) 14.549 6.192 ( -0.707 -4.203 2.189) 4.791 6.222 ( 2.940 -7.715 9.574) 12.643 6.531 ( -4.268 1.711 -8.380) 9.558 6.686 ( -3.100 3.951 -5.678) 7.580 6.817 ( -1.519 -0.463 0.041) 1.589 6.921 ( -3.206 -2.570 -0.916) 4.209 6.941 ( 0.792 3.205 -3.987) 5.176 6.989 ( -0.420 5.963 -4.828) 7.684 7.090 ( -0.419 0.568 2.390) 2.492 7.208 ( -0.753 3.354 3.342) 4.794 7.297 ( -0.576 -3.184 -0.238) 3.245 7.390 ( 3.518 2.529 -5.110) 6.700 7.523 ( 1.993 0.689 -1.942) 2.867 7.535 ( 1.661 3.316 3.575) 5.151 7.621 ( -0.386 -1.273 0.242) 1.352 7.739 ( -0.858 -1.431 -0.406) 1.717 7.853 ( -0.087 -1.838 1.840) 2.603 7.927 ( 1.136 2.039 0.335) 2.358 7.978 ( 0.358 -2.567 0.854) 2.729 8.028 ( -2.001 -2.135 1.190) 3.159 8.084 ( 3.358 -1.674 1.169) 3.931 8.126 ( 2.408 -0.745 1.798) 3.096 8.229 ( 1.272 1.094 -1.995) 2.607 8.369 ( -2.152 2.018 0.206) 2.958 8.411 ( -2.525 -0.131 -0.783) 2.647 8.473 ( 0.995 -2.362 0.888) 2.713 8.531 ( 1.252 -0.817 0.789) 1.690 8.554 ( 0.503 -1.532 -0.789) 1.795 8.663 ( -0.745 2.189 -0.155) 2.317 8.798 ( -0.619 -0.818 1.264) 1.628 9.151 ( -0.588 2.688 -1.488) 3.128 9.191 ( -0.330 3.860 -2.438) 4.577 9.320 ( 1.210 -2.476 1.777) 3.279 9.378 ( -0.426 -2.075 -0.223) 2.130 13.269 ( 0.362 14.109 0.526) 14.123 13.400 ( -2.884 8.467 -0.856) 8.986 13.972 ( 1.150 -8.785 0.153) 8.862 14.133 ( 1.441 -12.819 -0.088) 12.900 16.994 ( -0.187 -0.409 -0.874) 0.983 17.012 ( -0.185 -0.653 0.139) 0.693 17.116 ( -2.246 3.472 0.337) 4.149 17.148 ( -5.494 3.646 -2.281) 6.977 17.340 ( -3.438 0.914 0.293) 3.569 17.380 ( -4.156 0.765 -0.864) 4.313 17.537 ( 0.134 1.279 -0.012) 1.286 17.594 ( 0.221 -1.014 2.786) 2.973 17.649 ( 0.926 -3.228 -2.127) 3.975 17.703 ( 0.593 -4.291 -1.148) 4.481 17.941 ( 4.253 1.548 2.648) 5.244 18.051 ( 2.527 -0.728 -0.275) 2.644 18.106 ( -2.227 0.769 -1.630) 2.865 18.139 ( -1.449 0.349 0.399) 1.543 18.160 ( 0.690 -0.245 1.054) 1.283 18.242 ( -0.621 -0.983 -0.370) 1.220 18.798 ( -0.968 -0.709 0.518) 1.307 18.849 ( 0.514 0.110 -0.288) 0.600 18.933 ( -0.539 -1.388 -0.566) 1.593 19.135 ( -1.776 -5.861 0.414) 6.138 19.519 ( -0.392 -4.929 -3.117) 5.845 19.606 ( -1.695 -6.176 -0.320) 6.412 19.677 ( 4.745 3.189 2.754) 6.346 19.888 ( 2.566 -2.697 1.901) 4.180 ======================= Grid point 23 (15/80) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( 1.019 -3.799 -4.839) 6.236 1.684 ( 3.552 15.738 13.332) 20.930 1.879 ( -4.038 -3.325 4.583) 6.954 1.971 ( -1.272 5.746 -10.975) 12.453 2.014 ( -3.638 3.272 4.043) 6.347 2.060 ( 4.776 11.352 -4.772) 13.208 2.186 ( -4.420 2.739 -5.935) 7.891 2.291 ( -8.764 1.060 -3.637) 9.548 2.473 ( 2.979 12.921 1.451) 13.339 2.547 ( -0.008 2.805 4.077) 4.949 2.653 ( -4.252 -6.173 2.166) 7.802 2.678 ( -1.632 5.905 0.491) 6.146 2.755 ( -2.953 3.211 0.937) 4.462 2.829 ( 5.430 -0.008 2.310) 5.901 2.976 ( 1.952 0.934 2.143) 3.045 3.145 ( 2.198 -3.203 2.899) 4.848 3.233 ( 0.475 1.805 0.051) 1.867 3.423 ( -0.120 7.577 -4.701) 8.917 3.457 ( -1.151 -7.484 5.543) 9.384 3.540 ( 0.004 6.257 -3.440) 7.140 3.640 ( -2.820 -4.724 -0.290) 5.509 3.748 ( -6.543 0.301 -0.074) 6.551 3.807 ( 3.715 4.309 3.350) 6.602 3.833 ( 5.364 -1.901 -6.670) 8.768 3.973 ( -2.669 -2.398 3.089) 4.734 3.992 ( -1.042 2.880 -1.855) 3.581 4.077 ( -1.766 2.866 -5.060) 6.077 4.125 ( 0.558 4.261 -0.606) 4.340 4.245 ( -0.131 -5.566 1.192) 5.694 4.283 ( 3.566 -4.005 0.953) 5.447 4.347 ( 0.979 -5.946 -1.649) 6.247 4.436 ( -2.732 -0.670 -3.492) 4.484 4.602 ( -0.088 1.483 -1.148) 1.877 4.764 ( 0.907 -1.710 -0.275) 1.955 4.800 ( 1.776 0.899 1.168) 2.308 4.916 ( 0.407 0.222 4.620) 4.644 5.097 ( -0.605 2.575 -5.969) 6.529 5.317 ( 3.986 -1.365 1.112) 4.358 5.344 ( 4.058 -1.376 3.495) 5.529 5.369 ( -0.216 -4.054 -2.363) 4.698 5.573 ( -2.170 -3.851 -1.533) 4.678 5.664 ( 2.260 -7.254 4.964) 9.076 5.768 ( 1.747 -1.576 0.780) 2.478 5.883 ( -3.728 -2.350 0.316) 4.418 5.950 ( -1.024 0.674 0.675) 1.400 6.156 ( -3.966 3.418 -0.893) 5.311 6.275 ( 0.215 -6.644 11.672) 13.432 6.396 ( -1.220 -0.067 -2.098) 2.428 6.448 ( 4.988 -4.273 7.933) 10.299 6.567 ( 1.093 2.920 -5.068) 5.951 6.748 ( -3.052 -4.856 -5.564) 7.991 6.841 ( -2.674 0.095 -3.316) 4.261 6.904 ( -1.931 -0.641 -2.004) 2.856 6.950 ( 0.563 2.509 -1.497) 2.975 7.058 ( -3.279 -2.220 -2.419) 4.640 7.226 ( 1.041 1.643 2.416) 3.102 7.321 ( 0.840 -0.825 -0.296) 1.214 7.407 ( 3.737 2.959 -2.341) 5.311 7.536 ( -0.161 -0.842 -1.283) 1.543 7.586 ( 1.052 0.900 0.265) 1.409 7.630 ( 0.540 1.600 2.724) 3.205 7.708 ( -1.505 0.460 -0.780) 1.757 7.881 ( 0.302 -1.270 1.109) 1.712 7.917 ( -1.404 -1.312 -0.683) 2.039 7.987 ( 0.763 -0.704 1.264) 1.636 8.025 ( 0.778 -0.373 0.011) 0.863 8.175 ( 4.003 -0.378 1.094) 4.167 8.212 ( 2.884 1.372 2.455) 4.028 8.232 ( 1.130 2.070 -1.150) 2.624 8.320 ( -2.898 2.217 0.122) 3.651 8.340 ( -3.351 -0.563 -1.316) 3.644 8.513 ( 1.480 -2.871 0.811) 3.331 8.519 ( -1.331 0.504 0.361) 1.468 8.583 ( 1.187 -1.470 0.068) 1.891 8.665 ( 1.205 0.341 0.590) 1.385 8.791 ( -1.424 -1.698 0.972) 2.420 9.123 ( -0.503 3.498 -1.393) 3.799 9.165 ( 0.010 3.883 -2.071) 4.401 9.347 ( -0.007 -2.668 0.648) 2.746 9.375 ( 0.382 -2.917 0.260) 2.953 13.254 ( -1.538 12.606 -0.857) 12.728 13.368 ( -0.213 13.279 0.754) 13.302 13.984 ( 0.235 -10.894 -0.702) 10.919 14.165 ( 1.483 -11.298 0.486) 11.405 16.977 ( -0.236 -0.514 -1.977) 2.056 16.998 ( -4.180 -0.991 -1.687) 4.615 17.013 ( -0.695 -0.702 -0.484) 1.100 17.062 ( -2.613 -2.181 -0.781) 3.492 17.338 ( -0.530 1.761 4.418) 4.785 17.358 ( -1.540 0.870 5.934) 6.192 17.513 ( -0.730 0.980 -3.021) 3.259 17.595 ( -1.527 -3.053 0.703) 3.485 17.653 ( 2.388 0.220 -4.290) 4.915 17.717 ( 1.372 -2.902 0.060) 3.210 18.000 ( -0.178 1.014 -0.567) 1.176 18.015 ( -3.617 0.141 -0.318) 3.634 18.091 ( 1.500 -0.271 -1.495) 2.134 18.115 ( -0.513 -0.734 -0.468) 1.011 18.201 ( 1.696 1.226 1.463) 2.553 18.243 ( 0.145 0.202 1.300) 1.324 18.792 ( -0.079 -2.186 0.378) 2.220 18.832 ( -1.420 -2.767 -0.430) 3.140 18.951 ( 2.488 0.856 0.228) 2.641 19.088 ( -3.306 -3.370 0.057) 4.721 19.479 ( 0.374 -5.114 -3.660) 6.300 19.546 ( -3.345 -6.967 -0.682) 7.759 19.814 ( 4.951 4.417 3.537) 7.518 19.957 ( 1.887 -0.590 1.523) 2.495 ======================= Grid point 24 (16/80) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( 0.000 -5.238 0.000) 5.238 1.773 ( -0.000 3.126 0.000) 3.126 1.855 ( 0.000 -3.645 -0.000) 3.645 1.888 ( 0.000 8.697 0.000) 8.697 1.986 ( -0.000 5.479 0.000) 5.479 2.066 ( -0.000 -0.688 -0.000) 0.688 2.167 ( -0.000 2.835 0.000) 2.835 2.172 ( 0.000 16.204 -0.000) 16.204 2.431 ( 0.000 18.956 -0.000) 18.956 2.564 ( 0.000 1.049 0.000) 1.049 2.619 ( -0.000 -8.061 0.000) 8.061 2.708 ( 0.000 -1.955 0.000) 1.955 2.740 ( 0.000 0.341 -0.000) 0.341 2.911 ( 0.000 0.309 -0.000) 0.309 3.169 ( 0.000 4.822 0.000) 4.822 3.222 ( -0.000 0.338 0.000) 0.338 3.231 ( 0.000 -5.242 0.000) 5.242 3.259 ( -0.000 8.606 -0.000) 8.606 3.477 ( -0.000 -0.714 -0.000) 0.714 3.505 ( 0.000 0.120 -0.000) 0.120 3.537 ( 0.000 1.851 0.000) 1.851 3.729 ( 0.000 -2.733 -0.000) 2.733 3.849 ( -0.000 -5.053 0.000) 5.053 3.872 ( 0.000 11.360 -0.000) 11.360 3.967 ( -0.000 -1.527 0.000) 1.527 3.970 ( 0.000 0.539 -0.000) 0.539 4.004 ( -0.000 3.940 -0.000) 3.940 4.127 ( 0.000 1.191 0.000) 1.191 4.286 ( -0.000 -4.891 -0.000) 4.891 4.333 ( 0.000 -5.671 -0.000) 5.671 4.352 ( 0.000 -5.740 0.000) 5.740 4.354 ( -0.000 0.462 -0.000) 0.462 4.594 ( 0.000 4.137 -0.000) 4.137 4.752 ( 0.000 -2.794 0.000) 2.794 4.843 ( -0.000 1.241 0.000) 1.241 4.973 ( 0.000 1.220 -0.000) 1.220 5.033 ( 0.000 2.348 0.000) 2.348 5.339 ( -0.000 -2.270 0.000) 2.270 5.387 ( -0.000 -3.525 -0.000) 3.525 5.456 ( -0.000 1.387 -0.000) 1.387 5.499 ( 0.000 -5.440 0.000) 5.440 5.703 ( 0.000 -7.856 0.000) 7.856 5.818 ( -0.000 -4.489 -0.000) 4.489 5.834 ( 0.000 -1.496 0.000) 1.496 5.952 ( 0.000 3.605 0.000) 3.605 6.068 ( 0.000 3.547 -0.000) 3.547 6.339 ( 0.000 6.216 -0.000) 6.216 6.384 ( 0.000 -4.594 -0.000) 4.594 6.514 ( -0.000 -0.425 -0.000) 0.425 6.611 ( 0.000 -7.855 0.000) 7.855 6.700 ( 0.000 -5.045 0.000) 5.045 6.795 ( -0.000 0.063 -0.000) 0.063 6.834 ( 0.000 -0.283 0.000) 0.283 6.958 ( 0.000 -4.375 0.000) 4.375 6.992 ( -0.000 1.794 -0.000) 1.794 7.280 ( -0.000 -4.576 -0.000) 4.576 7.293 ( 0.000 5.730 0.000) 5.730 7.472 ( 0.000 3.395 0.000) 3.395 7.496 ( -0.000 -2.897 -0.000) 2.897 7.599 ( 0.000 0.658 -0.000) 0.658 7.658 ( 0.000 2.278 -0.000) 2.278 7.681 ( 0.000 1.750 0.000) 1.750 7.886 ( 0.000 0.161 -0.000) 0.161 7.896 ( 0.000 -3.265 0.000) 3.265 8.014 ( 0.000 0.343 0.000) 0.343 8.033 ( -0.000 0.014 0.000) 0.014 8.224 ( 0.000 -1.500 0.000) 1.500 8.260 ( -0.000 2.517 0.000) 2.517 8.267 ( 0.000 0.955 -0.000) 0.955 8.270 ( 0.000 3.075 0.000) 3.075 8.279 ( -0.000 0.527 -0.000) 0.527 8.494 ( -0.000 1.595 0.000) 1.595 8.547 ( 0.000 -3.287 0.000) 3.287 8.589 ( 0.000 -1.144 -0.000) 1.144 8.695 ( 0.000 -0.255 0.000) 0.255 8.774 ( 0.000 -2.784 -0.000) 2.784 9.111 ( 0.000 4.031 0.000) 4.031 9.153 ( 0.000 3.754 0.000) 3.754 9.347 ( 0.000 -2.510 0.000) 2.510 9.384 ( 0.000 -3.482 0.000) 3.482 13.230 ( 0.000 12.326 0.000) 12.326 13.375 ( 0.000 14.700 0.000) 14.700 13.979 ( 0.000 -11.787 0.000) 11.787 14.185 ( 0.000 -10.261 0.000) 10.261 16.943 ( 0.000 -3.212 -0.000) 3.212 16.958 ( -0.000 -1.229 0.000) 1.229 17.010 ( -0.000 -0.975 0.000) 0.975 17.033 ( 0.000 -3.853 -0.000) 3.853 17.363 ( -0.000 1.414 -0.000) 1.414 17.397 ( 0.000 0.347 0.000) 0.347 17.468 ( -0.000 2.232 -0.000) 2.232 17.580 ( -0.000 -3.131 0.000) 3.131 17.651 ( 0.000 0.519 0.000) 0.519 17.737 ( 0.000 -2.219 0.000) 2.219 17.972 ( 0.000 0.602 -0.000) 0.602 17.978 ( -0.000 -0.565 0.000) 0.565 18.103 ( -0.000 -0.559 0.000) 0.559 18.108 ( 0.000 -0.973 -0.000) 0.973 18.228 ( 0.000 2.063 -0.000) 2.063 18.254 ( 0.000 1.046 0.000) 1.046 18.798 ( 0.000 -3.276 -0.000) 3.276 18.810 ( -0.000 -2.551 0.000) 2.551 19.016 ( -0.000 -0.617 -0.000) 0.617 19.017 ( 0.000 -0.539 0.000) 0.539 19.469 ( 0.000 -4.614 0.000) 4.614 19.499 ( 0.000 -7.346 -0.000) 7.346 19.891 ( -0.000 4.614 -0.000) 4.614 19.979 ( 0.000 0.354 0.000) 0.354 ======================= Grid point 28 (17/80) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( 0.000 16.702 0.000) 16.702 1.839 ( 0.000 7.266 0.000) 7.266 1.899 ( 0.000 -3.984 0.000) 3.984 1.996 ( 0.000 -3.753 0.000) 3.753 2.113 ( 0.000 -4.925 0.000) 4.925 2.197 ( 0.000 -8.555 0.000) 8.555 2.402 ( 0.000 18.249 0.000) 18.249 2.525 ( 0.000 7.776 0.000) 7.776 2.550 ( 0.000 18.028 0.000) 18.028 2.607 ( 0.000 -1.598 0.000) 1.598 2.763 ( 0.000 -5.638 0.000) 5.638 2.808 ( 0.000 -1.478 0.000) 1.478 2.924 ( 0.000 -11.417 0.000) 11.417 2.973 ( 0.000 1.149 0.000) 1.149 2.998 ( 0.000 -5.105 0.000) 5.105 3.150 ( 0.000 -1.502 0.000) 1.502 3.184 ( 0.000 5.191 0.000) 5.191 3.301 ( 0.000 -7.586 0.000) 7.586 3.492 ( 0.000 6.907 0.000) 6.907 3.553 ( 0.000 5.700 0.000) 5.700 3.567 ( 0.000 3.093 0.000) 3.093 3.689 ( 0.000 16.433 0.000) 16.433 3.730 ( 0.000 -2.939 0.000) 2.939 3.732 ( 0.000 -8.939 0.000) 8.939 3.860 ( 0.000 -10.908 0.000) 10.908 4.013 ( 0.000 -11.446 0.000) 11.446 4.158 ( 0.000 2.849 0.000) 2.849 4.215 ( 0.000 2.497 0.000) 2.497 4.280 ( 0.000 3.903 0.000) 3.903 4.313 ( 0.000 1.680 0.000) 1.680 4.363 ( 0.000 -2.111 0.000) 2.111 4.408 ( 0.000 -1.566 0.000) 1.566 4.562 ( 0.000 5.413 0.000) 5.413 4.718 ( 0.000 -7.816 0.000) 7.816 4.757 ( 0.000 4.558 0.000) 4.558 4.842 ( 0.000 -3.664 0.000) 3.664 5.143 ( 0.000 0.447 0.000) 0.447 5.180 ( 0.000 -2.380 0.000) 2.380 5.342 ( 0.000 8.550 0.000) 8.550 5.380 ( 0.000 -0.745 0.000) 0.745 5.403 ( 0.000 -2.810 0.000) 2.810 5.533 ( 0.000 -9.753 0.000) 9.753 5.792 ( 0.000 -0.613 0.000) 0.613 5.801 ( 0.000 -1.645 0.000) 1.645 5.877 ( 0.000 3.604 0.000) 3.604 5.996 ( 0.000 -7.072 0.000) 7.072 6.023 ( 0.000 0.591 0.000) 0.591 6.070 ( 0.000 -4.312 0.000) 4.312 6.693 ( 0.000 2.045 0.000) 2.045 6.722 ( 0.000 -0.571 0.000) 0.571 6.889 ( 0.000 2.919 0.000) 2.919 6.944 ( 0.000 -2.211 0.000) 2.211 7.034 ( 0.000 1.208 0.000) 1.208 7.045 ( 0.000 0.794 0.000) 0.794 7.166 ( 0.000 4.758 0.000) 4.758 7.248 ( 0.000 -3.230 0.000) 3.230 7.305 ( 0.000 4.745 0.000) 4.745 7.371 ( 0.000 -1.204 0.000) 1.204 7.561 ( 0.000 0.625 0.000) 0.625 7.565 ( 0.000 2.886 0.000) 2.886 7.586 ( 0.000 0.135 0.000) 0.135 7.669 ( 0.000 -4.726 0.000) 4.726 7.848 ( 0.000 1.218 0.000) 1.218 7.895 ( 0.000 -1.891 0.000) 1.891 7.950 ( 0.000 1.199 0.000) 1.199 8.004 ( 0.000 -2.436 0.000) 2.436 8.007 ( 0.000 0.098 0.000) 0.098 8.037 ( 0.000 -2.998 0.000) 2.998 8.284 ( 0.000 4.703 0.000) 4.703 8.383 ( 0.000 -4.089 0.000) 4.089 8.433 ( 0.000 0.881 0.000) 0.881 8.445 ( 0.000 -0.144 0.000) 0.144 8.509 ( 0.000 0.696 0.000) 0.696 8.529 ( 0.000 -1.095 0.000) 1.095 8.729 ( 0.000 2.587 0.000) 2.587 8.774 ( 0.000 -1.684 0.000) 1.684 9.212 ( 0.000 1.932 0.000) 1.932 9.250 ( 0.000 -1.877 0.000) 1.877 9.282 ( 0.000 3.104 0.000) 3.104 9.339 ( 0.000 -2.484 0.000) 2.484 13.555 ( 0.000 14.484 0.000) 14.484 13.591 ( 0.000 8.332 0.000) 8.332 13.775 ( 0.000 -9.274 0.000) 9.274 13.847 ( 0.000 -13.733 0.000) 13.733 16.995 ( 0.000 -0.100 0.000) 0.100 16.999 ( 0.000 -0.528 0.000) 0.528 17.258 ( 0.000 6.671 0.000) 6.671 17.321 ( 0.000 5.155 0.000) 5.155 17.418 ( 0.000 -4.949 0.000) 4.949 17.463 ( 0.000 -3.641 0.000) 3.641 17.488 ( 0.000 0.901 0.000) 0.901 17.526 ( 0.000 -1.887 0.000) 1.887 17.614 ( 0.000 1.076 0.000) 1.076 17.640 ( 0.000 -1.574 0.000) 1.574 17.912 ( 0.000 3.001 0.000) 3.001 17.969 ( 0.000 -2.452 0.000) 2.452 18.136 ( 0.000 0.078 0.000) 0.078 18.139 ( 0.000 -0.240 0.000) 0.240 18.195 ( 0.000 1.894 0.000) 1.894 18.230 ( 0.000 -1.444 0.000) 1.444 18.823 ( 0.000 1.119 0.000) 1.119 18.850 ( 0.000 -0.851 0.000) 0.851 18.932 ( 0.000 1.909 0.000) 1.909 19.017 ( 0.000 -5.709 0.000) 5.709 19.471 ( 0.000 -1.098 0.000) 1.098 19.508 ( 0.000 -4.398 0.000) 4.398 19.691 ( 0.000 4.424 0.000) 4.424 19.775 ( 0.000 -3.732 0.000) 3.732 ======================= Grid point 29 (18/80) ======================= q-point: ( 0.17 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( -8.423 5.699 -0.878) 10.208 1.772 ( -0.612 6.000 4.334) 7.427 1.870 ( -5.824 -0.176 5.568) 8.059 2.029 ( 2.534 -3.064 2.240) 4.564 2.216 ( 4.881 0.421 1.942) 5.270 2.253 ( -0.252 1.718 -2.858) 3.344 2.283 ( -3.608 4.697 1.000) 6.006 2.410 ( -7.378 0.610 -4.163) 8.493 2.576 ( -4.259 2.039 -4.619) 6.606 2.605 ( -0.178 2.993 -2.998) 4.240 2.711 ( -2.114 4.834 -7.767) 9.389 2.734 ( 5.710 8.861 6.318) 12.290 2.878 ( -0.846 -2.194 0.716) 2.458 2.977 ( -4.864 0.602 0.081) 4.901 3.073 ( -5.142 -2.609 0.909) 5.837 3.082 ( -3.701 6.348 -0.835) 7.395 3.160 ( 3.254 -10.205 6.305) 12.429 3.218 ( -4.370 -6.998 -3.239) 8.863 3.517 ( 1.420 2.379 2.992) 4.078 3.541 ( -0.257 1.399 -2.776) 3.119 3.647 ( 3.554 0.032 0.182) 3.559 3.688 ( 0.938 0.425 0.107) 1.035 3.769 ( 1.720 8.098 5.961) 10.202 3.833 ( 7.701 1.008 -2.922) 8.298 3.947 ( 7.606 -6.700 1.862) 10.306 4.043 ( 2.076 -8.827 0.770) 9.100 4.129 ( -5.156 3.803 -1.691) 6.626 4.181 ( 1.822 1.419 -4.554) 5.106 4.245 ( -5.419 -0.004 -3.409) 6.402 4.282 ( -1.238 0.162 -0.259) 1.275 4.295 ( -2.049 3.513 -1.375) 4.294 4.407 ( 0.831 -4.828 -3.029) 5.760 4.593 ( 2.583 3.552 -0.953) 4.495 4.718 ( 0.313 -6.765 -1.135) 6.867 4.779 ( 1.303 5.126 2.686) 5.932 4.861 ( 0.830 -2.566 1.998) 3.357 5.174 ( 2.605 0.521 -0.093) 2.658 5.203 ( 1.345 -1.537 -0.153) 2.048 5.275 ( -0.305 3.176 -1.685) 3.609 5.347 ( -2.383 -3.775 -3.762) 5.838 5.474 ( 2.762 -0.940 3.492) 4.550 5.516 ( 0.058 -4.410 -0.620) 4.454 5.781 ( 1.005 3.780 -1.183) 4.087 5.863 ( 0.831 -3.166 3.357) 4.689 5.962 ( -0.504 0.305 2.903) 2.962 6.009 ( 0.904 -3.838 9.503) 10.289 6.100 ( 4.140 -2.287 6.321) 7.894 6.116 ( 3.304 -3.189 7.183) 8.526 6.602 ( -3.338 4.439 -8.987) 10.565 6.689 ( -1.639 -3.287 -6.622) 7.572 6.836 ( -4.423 2.085 -0.208) 4.894 6.875 ( -4.876 -1.885 0.996) 5.321 7.008 ( 0.067 3.276 -4.811) 5.821 7.068 ( 0.033 -2.221 -1.656) 2.770 7.114 ( -2.468 5.676 -4.024) 7.382 7.215 ( -2.509 -3.965 -1.477) 4.919 7.312 ( 0.803 4.890 2.697) 5.642 7.391 ( 2.389 -2.232 -0.789) 3.363 7.536 ( 1.595 0.961 -4.212) 4.605 7.570 ( 0.065 -1.957 -2.260) 2.990 7.627 ( 2.036 3.674 3.283) 5.331 7.698 ( 0.784 -2.709 2.147) 3.545 7.844 ( -1.001 1.268 2.808) 3.239 7.902 ( -2.267 -3.893 2.843) 5.327 7.966 ( 1.009 1.679 0.133) 1.963 7.994 ( 0.396 -1.215 -0.601) 1.412 8.069 ( 4.688 0.447 1.700) 5.007 8.099 ( 4.844 -1.961 2.329) 5.722 8.296 ( 1.056 4.765 -0.306) 4.891 8.391 ( -0.407 -2.784 -0.363) 2.837 8.403 ( -1.849 0.107 -1.579) 2.434 8.415 ( -1.191 -1.009 0.209) 1.575 8.520 ( 0.743 0.163 0.569) 0.950 8.533 ( -0.171 -0.831 0.662) 1.076 8.718 ( -0.908 2.823 -0.220) 2.974 8.769 ( -0.782 -1.991 0.411) 2.178 9.206 ( -0.111 2.694 -0.541) 2.750 9.254 ( 0.846 -0.057 -1.707) 1.906 9.277 ( -0.614 0.658 0.883) 1.261 9.330 ( -0.514 -2.641 -0.741) 2.791 13.549 ( -1.268 12.088 -1.055) 12.200 13.598 ( 1.280 11.764 1.428) 11.919 13.771 ( -0.393 -10.335 -0.732) 10.368 13.867 ( 1.777 -13.236 1.079) 13.398 16.989 ( -0.400 0.034 -0.205) 0.450 16.997 ( -0.325 -0.649 0.101) 0.732 17.193 ( -6.505 3.417 -2.927) 7.909 17.215 ( -9.572 1.983 -5.718) 11.325 17.343 ( -2.272 -0.098 4.904) 5.405 17.369 ( -4.342 -1.800 2.441) 5.296 17.540 ( -0.280 -0.730 1.079) 1.332 17.545 ( 0.283 -1.653 1.669) 2.366 17.637 ( 2.782 0.493 -1.790) 3.345 17.650 ( 2.260 -0.877 -2.632) 3.578 17.986 ( 4.161 2.330 1.638) 5.042 18.027 ( 3.417 -1.571 0.534) 3.799 18.123 ( -1.826 0.755 -1.023) 2.225 18.136 ( -1.224 -0.529 -0.226) 1.352 18.178 ( 0.342 1.741 0.100) 1.778 18.216 ( -0.115 -1.647 -0.645) 1.773 18.794 ( -2.094 0.615 -0.149) 2.188 18.824 ( -1.998 -1.982 -0.888) 2.951 18.945 ( 1.199 2.415 0.129) 2.699 19.022 ( 0.112 -4.857 0.302) 4.867 19.450 ( -0.755 -0.937 -2.378) 2.665 19.487 ( -1.445 -4.344 -1.418) 4.793 19.759 ( 4.671 4.033 3.255) 6.977 19.833 ( 3.893 -3.036 2.711) 5.632 ======================= Grid point 30 (19/80) ======================= q-point: ( 0.33 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( -4.903 3.137 -0.420) 5.836 1.660 ( -9.992 -10.623 4.152) 15.164 1.951 ( -1.400 8.883 8.026) 12.053 2.027 ( -4.706 -0.261 -1.221) 4.869 2.118 ( -0.765 4.655 -5.659) 7.368 2.193 ( -3.881 0.417 -6.425) 7.518 2.245 ( -0.419 0.789 -0.598) 1.075 2.383 ( 2.132 0.742 4.205) 4.773 2.493 ( -1.672 2.499 0.365) 3.029 2.583 ( 2.794 -0.561 1.024) 3.028 2.725 ( 4.174 8.385 -5.129) 10.678 2.813 ( -2.054 5.151 -0.303) 5.553 2.826 ( -4.915 3.495 -5.034) 7.856 2.939 ( 0.211 6.931 2.112) 7.249 3.008 ( 1.964 -9.027 0.294) 9.243 3.069 ( 2.426 8.287 7.401) 11.373 3.141 ( -4.590 -8.517 5.444) 11.102 3.284 ( 1.683 -9.189 8.738) 12.791 3.486 ( 0.237 1.471 -7.096) 7.251 3.562 ( 0.383 -3.107 -2.507) 4.011 3.641 ( -2.835 0.778 -1.635) 3.364 3.704 ( -1.825 -4.041 0.610) 4.475 3.851 ( 2.869 8.068 -2.773) 9.001 3.900 ( 1.344 6.302 -0.478) 6.462 4.042 ( -0.507 5.333 2.592) 5.952 4.070 ( -0.167 -2.187 -2.321) 3.193 4.096 ( 1.181 -6.502 -2.157) 6.951 4.134 ( 5.386 -1.166 1.430) 5.693 4.197 ( -0.695 -0.855 1.150) 1.593 4.234 ( -3.988 -2.351 0.796) 4.698 4.244 ( 0.731 5.714 -5.250) 7.794 4.375 ( -0.060 -4.982 -4.848) 6.952 4.624 ( 2.283 1.583 -1.747) 3.282 4.697 ( -0.793 -4.613 -1.614) 4.951 4.849 ( 1.797 3.777 2.945) 5.115 4.911 ( 1.010 -1.486 4.074) 4.453 5.162 ( -0.493 3.855 -3.931) 5.528 5.242 ( 2.050 -3.599 0.299) 4.152 5.304 ( 1.580 -1.369 -1.298) 2.461 5.326 ( 3.220 -2.462 0.996) 4.174 5.509 ( -0.173 -0.850 -0.469) 0.986 5.543 ( 1.788 -4.046 1.458) 4.658 5.787 ( -0.217 2.148 -0.949) 2.359 5.832 ( -2.535 -2.241 -1.937) 3.899 6.007 ( -1.170 4.616 9.150) 10.315 6.131 ( 0.429 -6.854 13.599) 15.235 6.243 ( 1.813 4.428 4.977) 6.904 6.339 ( 6.282 -4.892 9.372) 12.298 6.442 ( -0.601 3.915 -7.909) 8.846 6.547 ( -1.260 -5.304 -11.429) 12.662 6.742 ( -4.674 3.801 -1.550) 6.220 6.813 ( -4.223 -2.710 2.579) 5.642 6.909 ( -2.764 1.660 -6.887) 7.604 6.961 ( -3.020 -2.449 -8.008) 8.902 7.078 ( -0.546 4.575 -0.947) 4.704 7.180 ( -0.487 -4.539 0.191) 4.569 7.366 ( 1.285 3.427 1.953) 4.149 7.419 ( 1.370 -1.412 -0.280) 1.988 7.531 ( 0.380 0.583 -1.906) 2.029 7.562 ( 1.533 -2.078 -1.589) 3.032 7.694 ( 1.447 3.237 2.591) 4.392 7.727 ( 0.341 0.377 1.513) 1.596 7.852 ( -0.716 -0.583 1.067) 1.411 7.874 ( -1.435 -2.375 0.072) 2.776 7.993 ( 1.771 0.792 0.181) 1.948 8.011 ( 1.439 -0.832 -0.153) 1.669 8.185 ( 3.788 1.309 2.355) 4.648 8.210 ( 3.070 -0.814 2.442) 4.006 8.300 ( -0.861 2.624 -0.085) 2.763 8.331 ( -2.326 -0.631 -2.401) 3.402 8.366 ( -0.586 2.758 0.181) 2.826 8.438 ( 0.814 -3.784 1.784) 4.262 8.533 ( 0.077 0.527 0.330) 0.626 8.551 ( 1.717 -1.393 0.037) 2.211 8.695 ( -1.021 2.386 -0.004) 2.595 8.748 ( -1.781 -2.438 0.146) 3.022 9.201 ( 0.100 3.954 -0.415) 3.977 9.240 ( -0.001 3.289 -1.832) 3.765 9.283 ( -0.012 -3.385 0.801) 3.479 9.312 ( -0.381 -3.182 -0.693) 3.279 13.504 ( -1.594 11.765 -1.256) 11.939 13.649 ( 1.648 13.847 1.675) 14.045 13.745 ( -0.867 -11.819 -1.244) 11.916 13.924 ( 2.074 -12.551 1.480) 12.807 16.974 ( -1.222 0.260 -1.361) 1.847 16.983 ( -3.006 -0.558 -1.478) 3.396 17.003 ( -4.048 0.055 -1.918) 4.480 17.021 ( -5.619 -1.631 -2.222) 6.259 17.365 ( -1.323 0.838 5.938) 6.141 17.372 ( -1.514 0.253 6.380) 6.562 17.531 ( -0.183 0.777 -1.403) 1.614 17.549 ( -0.750 -1.217 0.343) 1.470 17.664 ( 2.502 0.458 -3.542) 4.361 17.677 ( 2.373 -1.025 -1.062) 2.794 18.015 ( -2.012 0.320 -2.288) 3.064 18.017 ( -2.888 0.107 -1.550) 3.280 18.091 ( 0.910 0.221 -1.029) 1.392 18.100 ( -0.125 -0.634 -0.795) 1.024 18.228 ( 2.285 1.191 1.819) 3.154 18.244 ( 1.557 -0.280 1.646) 2.283 18.761 ( -1.137 -0.449 0.047) 1.223 18.779 ( -1.507 -2.047 -0.534) 2.598 18.974 ( 1.481 1.567 0.250) 2.171 19.021 ( -0.595 -2.951 0.227) 3.019 19.408 ( -0.553 -1.283 -2.619) 2.968 19.433 ( -2.236 -3.622 -1.426) 4.489 19.892 ( 4.528 3.054 3.257) 6.359 19.938 ( 3.331 -1.492 2.371) 4.352 ======================= Grid point 31 (20/80) ======================= q-point: (-0.50 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( 0.000 0.198 0.000) 0.198 1.566 ( 0.000 -9.319 0.000) 9.319 1.943 ( 0.000 1.413 -0.000) 1.413 1.972 ( 0.000 -1.118 0.000) 1.118 2.073 ( 0.000 4.764 0.000) 4.764 2.096 ( 0.000 2.802 0.000) 2.802 2.288 ( 0.000 7.166 0.000) 7.166 2.427 ( 0.000 -3.115 0.000) 3.115 2.513 ( 0.000 7.242 0.000) 7.242 2.653 ( 0.000 -3.751 0.000) 3.751 2.669 ( -0.000 6.851 -0.000) 6.851 2.726 ( 0.000 2.335 -0.000) 2.335 2.810 ( 0.000 11.867 0.000) 11.867 2.927 ( 0.000 3.224 0.000) 3.224 3.076 ( 0.000 -11.029 0.000) 11.029 3.096 ( -0.000 -8.214 0.000) 8.214 3.246 ( 0.000 4.186 0.000) 4.186 3.374 ( 0.000 -3.195 -0.000) 3.195 3.440 ( 0.000 0.416 0.000) 0.416 3.476 ( -0.000 -2.775 -0.000) 2.775 3.563 ( 0.000 4.317 -0.000) 4.317 3.676 ( 0.000 -5.089 0.000) 5.089 3.839 ( 0.000 5.326 0.000) 5.326 3.945 ( 0.000 -1.126 0.000) 1.126 4.028 ( -0.000 5.772 -0.000) 5.772 4.086 ( -0.000 4.455 0.000) 4.455 4.118 ( 0.000 4.093 -0.000) 4.093 4.156 ( -0.000 0.247 0.000) 0.247 4.196 ( 0.000 -5.458 0.000) 5.458 4.215 ( 0.000 -5.122 -0.000) 5.122 4.239 ( 0.000 2.095 0.000) 2.095 4.338 ( 0.000 -3.120 0.000) 3.120 4.643 ( 0.000 0.539 -0.000) 0.539 4.675 ( 0.000 -3.532 0.000) 3.532 4.881 ( -0.000 2.984 0.000) 2.984 4.950 ( 0.000 -2.969 0.000) 2.969 5.131 ( 0.000 6.664 0.000) 6.664 5.266 ( 0.000 -5.209 0.000) 5.209 5.325 ( 0.000 -1.021 -0.000) 1.021 5.367 ( 0.000 -5.392 0.000) 5.392 5.506 ( 0.000 2.540 0.000) 2.540 5.571 ( 0.000 -4.471 0.000) 4.471 5.769 ( 0.000 -0.366 -0.000) 0.366 5.789 ( 0.000 -1.951 0.000) 1.951 6.085 ( 0.000 7.671 -0.000) 7.671 6.178 ( 0.000 5.298 0.000) 5.298 6.265 ( -0.000 -5.201 -0.000) 5.201 6.361 ( 0.000 -6.688 0.000) 6.688 6.517 ( 0.000 0.516 0.000) 0.516 6.519 ( -0.000 0.499 -0.000) 0.499 6.667 ( 0.000 2.054 0.000) 2.054 6.748 ( -0.000 -4.140 0.000) 4.140 6.839 ( 0.000 0.939 -0.000) 0.939 6.879 ( 0.000 -3.002 0.000) 3.002 7.067 ( -0.000 5.002 0.000) 5.002 7.177 ( 0.000 -5.404 0.000) 5.404 7.385 ( -0.000 3.328 0.000) 3.328 7.440 ( 0.000 -2.458 0.000) 2.458 7.520 ( 0.000 2.044 0.000) 2.044 7.573 ( 0.000 -2.618 0.000) 2.618 7.722 ( 0.000 3.198 -0.000) 3.198 7.739 ( 0.000 2.286 0.000) 2.286 7.851 ( 0.000 -1.288 0.000) 1.288 7.857 ( 0.000 -2.088 0.000) 2.088 8.018 ( 0.000 0.300 0.000) 0.300 8.027 ( 0.000 -0.464 0.000) 0.464 8.231 ( 0.000 1.549 0.000) 1.549 8.259 ( 0.000 -0.943 0.000) 0.943 8.276 ( 0.000 0.823 0.000) 0.823 8.292 ( 0.000 -0.233 -0.000) 0.233 8.369 ( 0.000 4.610 0.000) 4.610 8.458 ( 0.000 -4.190 0.000) 4.190 8.541 ( 0.000 1.769 0.000) 1.769 8.569 ( 0.000 -0.942 -0.000) 0.942 8.692 ( 0.000 0.319 0.000) 0.319 8.718 ( 0.000 -2.228 -0.000) 2.228 9.201 ( 0.000 4.503 0.000) 4.503 9.230 ( 0.000 3.643 0.000) 3.643 9.286 ( 0.000 -3.525 0.000) 3.525 9.306 ( -0.000 -3.899 0.000) 3.899 13.480 ( 0.000 12.026 0.000) 12.026 13.676 ( 0.000 14.376 -0.000) 14.376 13.728 ( 0.000 -12.231 0.000) 12.231 13.954 ( 0.000 -12.437 0.000) 12.437 16.905 ( 0.000 -0.364 0.000) 0.364 16.925 ( 0.000 -1.920 0.000) 1.920 16.984 ( 0.000 -0.621 0.000) 0.621 16.990 ( 0.000 -0.827 0.000) 0.827 17.388 ( -0.000 0.963 -0.000) 0.963 17.401 ( 0.000 -0.190 0.000) 0.190 17.514 ( 0.000 1.851 -0.000) 1.851 17.541 ( 0.000 -1.071 0.000) 1.071 17.670 ( 0.000 1.128 0.000) 1.128 17.697 ( 0.000 -1.605 -0.000) 1.605 17.967 ( 0.000 -0.265 -0.000) 0.265 17.971 ( -0.000 -0.436 0.000) 0.436 18.098 ( -0.000 -0.131 0.000) 0.131 18.098 ( 0.000 -0.095 -0.000) 0.095 18.263 ( 0.000 1.153 0.000) 1.153 18.271 ( 0.000 0.342 0.000) 0.342 18.751 ( 0.000 -0.954 0.000) 0.954 18.761 ( -0.000 -1.795 0.000) 1.795 19.002 ( -0.000 -0.454 -0.000) 0.454 19.004 ( 0.000 -0.540 0.000) 0.540 19.394 ( 0.968 -2.434 -0.558) 2.678 19.394 ( -0.968 -2.331 0.558) 2.585 19.960 ( 0.000 2.101 0.000) 2.101 19.982 ( 0.000 -0.255 0.000) 0.255 ======================= Grid point 63 (21/80) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.407 ( 9.603 0.000 21.881) 23.895 0.546 ( -12.312 0.000 28.178) 30.750 0.768 ( -2.965 0.000 38.892) 39.005 1.781 ( -6.461 0.000 -19.913) 20.935 1.942 ( -3.044 0.000 1.613) 3.445 2.013 ( 8.318 0.000 -18.732) 20.496 2.157 ( -1.938 0.000 3.648) 4.131 2.249 ( -4.908 0.000 4.816) 6.877 2.366 ( 1.284 0.000 7.126) 7.241 2.370 ( -0.513 0.000 -2.270) 2.327 2.499 ( -9.259 0.000 -7.747) 12.072 2.553 ( 1.447 0.000 -2.506) 2.894 2.774 ( 9.561 0.000 3.541) 10.196 2.857 ( -0.996 0.000 5.206) 5.301 2.918 ( -3.256 0.000 2.887) 4.352 3.074 ( 2.143 0.000 -10.738) 10.950 3.170 ( -1.977 0.000 -3.040) 3.627 3.276 ( 3.611 0.000 -0.975) 3.740 3.383 ( 6.813 0.000 7.096) 9.837 3.480 ( 5.336 0.000 -3.580) 6.426 3.484 ( -1.406 0.000 -4.811) 5.013 3.682 ( -2.171 0.000 4.802) 5.270 3.713 ( -1.582 0.000 5.250) 5.483 3.899 ( 2.669 0.000 1.462) 3.043 3.987 ( -5.238 0.000 1.064) 5.345 4.115 ( 2.928 0.000 -7.217) 7.788 4.202 ( 6.709 0.000 5.520) 8.687 4.249 ( -2.256 0.000 -0.985) 2.462 4.313 ( 3.961 0.000 2.089) 4.478 4.322 ( -1.838 0.000 -4.284) 4.661 4.560 ( -2.924 0.000 1.549) 3.309 4.564 ( 1.788 0.000 -2.531) 3.099 4.604 ( 0.521 0.000 -6.977) 6.996 4.677 ( 1.804 0.000 1.034) 2.079 4.785 ( -5.018 0.000 -1.345) 5.195 4.844 ( -2.003 0.000 -2.179) 2.960 5.106 ( -4.109 0.000 7.748) 8.770 5.146 ( 3.158 0.000 9.893) 10.385 5.432 ( -1.552 0.000 -5.165) 5.393 5.667 ( -2.649 0.000 -5.319) 5.942 5.814 ( -1.534 0.000 -0.018) 1.534 5.981 ( 0.812 0.000 3.763) 3.849 5.983 ( -3.884 0.000 -5.940) 7.097 6.056 ( 3.740 0.000 1.967) 4.226 6.242 ( 3.226 0.000 -3.243) 4.575 6.310 ( 2.029 0.000 0.886) 2.214 6.361 ( -1.131 0.000 0.758) 1.361 6.441 ( 5.582 0.000 6.047) 8.230 6.558 ( 0.179 0.000 -2.487) 2.494 6.638 ( -0.822 0.000 2.846) 2.963 6.754 ( -1.998 0.000 1.032) 2.249 6.820 ( 2.790 0.000 -5.297) 5.987 6.911 ( 0.344 0.000 -1.265) 1.311 6.955 ( 1.949 0.000 -2.215) 2.950 7.184 ( 1.408 0.000 3.273) 3.563 7.283 ( 1.882 0.000 3.891) 4.322 7.294 ( 4.201 0.000 -1.664) 4.518 7.395 ( 4.067 0.000 0.834) 4.152 7.539 ( 1.970 0.000 0.151) 1.976 7.596 ( -15.808 0.000 2.836) 16.060 7.659 ( -1.379 0.000 3.176) 3.462 7.718 ( 0.813 0.000 1.889) 2.057 7.772 ( -1.468 0.000 -2.747) 3.114 7.867 ( 3.497 0.000 0.386) 3.518 8.043 ( -2.728 0.000 -1.218) 2.987 8.062 ( 0.456 0.000 -0.928) 1.034 8.157 ( -7.580 0.000 -0.847) 7.627 8.256 ( 0.382 0.000 0.328) 0.503 8.301 ( 1.055 0.000 -2.460) 2.677 8.326 ( 3.631 0.000 -2.086) 4.187 8.404 ( 1.798 0.000 1.521) 2.355 8.438 ( -1.396 0.000 1.319) 1.921 8.546 ( -2.925 0.000 -4.021) 4.972 8.606 ( 2.783 0.000 -2.687) 3.868 8.774 ( -1.191 0.000 2.986) 3.215 8.785 ( 2.797 0.000 3.296) 4.323 8.935 ( 0.497 0.000 0.030) 0.498 9.065 ( -2.902 0.000 -3.874) 4.840 9.403 ( 1.894 0.000 2.645) 3.253 9.490 ( -0.881 0.000 -0.214) 0.907 12.704 ( -0.139 0.000 0.037) 0.144 12.712 ( 0.165 0.000 -0.153) 0.225 14.223 ( -0.976 0.000 3.170) 3.317 14.558 ( 4.873 0.000 -5.019) 6.995 16.886 ( 1.410 0.000 3.706) 3.965 17.007 ( 0.635 0.000 3.415) 3.474 17.022 ( -2.064 0.000 4.296) 4.766 17.060 ( -5.664 0.000 2.901) 6.364 17.252 ( -3.662 0.000 -6.565) 7.517 17.343 ( -6.597 0.000 -3.476) 7.457 17.414 ( 3.292 0.000 -5.520) 6.427 17.433 ( 1.477 0.000 -5.375) 5.574 17.759 ( 1.528 0.000 8.734) 8.867 17.906 ( -0.455 0.000 2.299) 2.344 18.078 ( -0.705 0.000 -1.779) 1.914 18.131 ( -1.773 0.000 -0.846) 1.964 18.170 ( 0.556 0.000 1.228) 1.348 18.179 ( -0.737 0.000 2.856) 2.949 18.231 ( 1.612 0.000 -0.314) 1.642 18.330 ( 0.443 0.000 -0.729) 0.853 18.723 ( -0.760 0.000 0.344) 0.834 18.793 ( 0.401 0.000 -1.706) 1.752 19.138 ( -1.711 0.000 3.155) 3.589 19.355 ( 18.699 0.000 -0.248) 18.701 19.511 ( -4.928 0.000 -1.025) 5.033 19.821 ( -1.811 0.000 5.375) 5.672 19.866 ( -1.730 0.000 -6.336) 6.568 20.094 ( 0.628 0.000 -2.073) 2.166 ======================= Grid point 64 (22/80) ======================= q-point: ( 0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.726 ( 2.390 0.000 22.557) 22.683 0.737 ( 3.991 0.000 25.569) 25.879 1.417 ( -4.679 0.000 -23.893) 24.347 1.443 ( 27.080 0.000 26.395) 37.815 1.924 ( -0.861 0.000 1.341) 1.593 2.007 ( 6.991 0.000 -15.682) 17.170 2.089 ( -10.660 0.000 2.109) 10.867 2.158 ( -4.667 0.000 0.278) 4.675 2.237 ( -8.794 0.000 -6.296) 10.816 2.399 ( 6.139 0.000 -1.384) 6.293 2.534 ( 9.381 0.000 10.173) 13.838 2.566 ( 2.796 0.000 -3.088) 4.166 2.813 ( -7.659 0.000 1.144) 7.744 2.854 ( -4.309 0.000 4.447) 6.192 2.982 ( 8.398 0.000 1.638) 8.556 2.984 ( 0.213 0.000 -9.098) 9.100 3.190 ( 2.349 0.000 -1.673) 2.884 3.290 ( 1.918 0.000 -7.609) 7.847 3.454 ( -0.318 0.000 0.860) 0.917 3.513 ( -0.354 0.000 -2.776) 2.798 3.533 ( 1.008 0.000 -0.237) 1.036 3.654 ( -3.176 0.000 1.753) 3.628 3.773 ( 2.909 0.000 5.022) 5.804 3.867 ( -1.460 0.000 -1.074) 1.812 4.036 ( 2.582 0.000 3.923) 4.696 4.110 ( -1.653 0.000 -1.942) 2.550 4.143 ( -1.567 0.000 -4.361) 4.634 4.224 ( -1.521 0.000 -3.764) 4.060 4.363 ( 0.370 0.000 -0.077) 0.378 4.386 ( 4.976 0.000 3.139) 5.884 4.489 ( -0.299 0.000 -5.535) 5.543 4.542 ( -1.929 0.000 -7.284) 7.535 4.591 ( -0.745 0.000 3.134) 3.222 4.608 ( -3.580 0.000 0.595) 3.629 4.759 ( -0.383 0.000 2.219) 2.252 4.876 ( 2.306 0.000 0.549) 2.370 5.079 ( -4.870 0.000 6.956) 8.491 5.280 ( 0.034 0.000 9.869) 9.869 5.366 ( -1.778 0.000 -2.484) 3.054 5.536 ( -3.490 0.000 -7.433) 8.211 5.748 ( -3.669 0.000 -0.188) 3.674 5.800 ( -8.677 0.000 -4.365) 9.713 6.025 ( 3.138 0.000 0.573) 3.190 6.131 ( 0.031 0.000 3.456) 3.456 6.260 ( -4.289 0.000 -1.050) 4.416 6.294 ( 5.861 0.000 -4.502) 7.391 6.366 ( -0.334 0.000 3.181) 3.199 6.455 ( -8.501 0.000 0.421) 8.511 6.623 ( 0.954 0.000 6.557) 6.626 6.625 ( -2.500 0.000 0.430) 2.537 6.741 ( 1.847 0.000 -1.943) 2.681 6.833 ( -11.854 0.000 5.694) 13.150 6.865 ( 5.150 0.000 -3.275) 6.103 6.932 ( 3.442 0.000 -0.715) 3.515 7.184 ( -1.033 0.000 -0.257) 1.065 7.229 ( -0.406 0.000 3.306) 3.331 7.297 ( -2.952 0.000 0.516) 2.996 7.348 ( 1.692 0.000 0.485) 1.760 7.515 ( -1.611 0.000 1.272) 2.052 7.613 ( 1.311 0.000 3.989) 4.199 7.659 ( -2.555 0.000 3.664) 4.467 7.731 ( -0.780 0.000 -0.042) 0.781 7.731 ( -0.464 0.000 -1.597) 1.663 7.941 ( 3.608 0.000 -0.421) 3.633 7.997 ( -0.911 0.000 -1.436) 1.701 8.072 ( 1.084 0.000 0.025) 1.084 8.115 ( -2.062 0.000 1.225) 2.398 8.252 ( -0.946 0.000 -1.284) 1.595 8.295 ( 1.031 0.000 -0.146) 1.042 8.309 ( -0.828 0.000 -1.398) 1.625 8.405 ( -3.009 0.000 0.365) 3.031 8.479 ( -0.155 0.000 -2.869) 2.874 8.484 ( 4.230 0.000 -1.764) 4.583 8.638 ( 2.764 0.000 -2.126) 3.487 8.759 ( -2.461 0.000 1.341) 2.803 8.831 ( -1.245 0.000 1.972) 2.332 8.964 ( 1.396 0.000 2.032) 2.465 8.993 ( 0.245 0.000 -3.225) 3.234 9.456 ( -1.619 0.000 -0.178) 1.628 9.465 ( 1.662 0.000 1.950) 2.562 12.703 ( -0.013 0.000 0.011) 0.017 12.717 ( 0.367 0.000 -0.106) 0.382 14.263 ( 1.122 0.000 4.079) 4.231 14.656 ( 7.929 0.000 -13.684) 15.815 17.015 ( -2.574 0.000 4.685) 5.346 17.017 ( 6.605 0.000 5.565) 8.637 17.036 ( -1.725 0.000 4.611) 4.923 17.111 ( 5.224 0.000 4.469) 6.875 17.202 ( 4.275 0.000 -7.840) 8.930 17.295 ( 2.493 0.000 -4.626) 5.255 17.406 ( 1.353 0.000 -5.426) 5.592 17.439 ( 5.091 0.000 -4.360) 6.703 17.837 ( -2.457 0.000 7.854) 8.229 17.928 ( -0.123 0.000 3.733) 3.735 18.002 ( -4.545 0.000 -2.107) 5.010 18.067 ( -3.175 0.000 -3.140) 4.466 18.191 ( -0.740 0.000 2.183) 2.305 18.199 ( 1.542 0.000 1.206) 1.958 18.241 ( -0.723 0.000 0.559) 0.914 18.330 ( 0.152 0.000 -0.902) 0.915 18.738 ( 2.001 0.000 0.425) 2.045 18.798 ( 1.633 0.000 -1.539) 2.244 19.083 ( -6.032 0.000 1.504) 6.217 19.359 ( -8.680 0.000 -1.120) 8.752 19.532 ( 2.918 0.000 4.513) 5.374 19.747 ( -2.411 0.000 -7.296) 7.684 19.876 ( 0.357 0.000 3.153) 3.173 20.051 ( -2.178 0.000 -2.598) 3.391 ======================= Grid point 65 (23/80) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( 5.251 0.000 15.692) 16.547 1.108 ( 7.983 0.000 23.447) 24.769 1.256 ( 9.202 0.000 -11.824) 14.983 1.681 ( -17.343 0.000 5.557) 18.212 1.863 ( -8.703 0.000 3.037) 9.218 2.000 ( -9.646 0.000 2.972) 10.094 2.075 ( 11.164 0.000 -13.818) 17.764 2.146 ( 5.766 0.000 -4.437) 7.276 2.266 ( 22.061 0.000 7.339) 23.249 2.588 ( 5.822 0.000 -5.370) 7.920 2.608 ( 11.963 0.000 8.444) 14.643 2.670 ( -7.884 0.000 2.243) 8.197 2.780 ( -6.269 0.000 2.623) 6.795 2.867 ( 11.299 0.000 6.807) 13.191 2.901 ( -2.396 0.000 -8.297) 8.636 3.063 ( -1.129 0.000 -4.905) 5.033 3.135 ( -6.765 0.000 1.069) 6.849 3.231 ( 2.093 0.000 -8.012) 8.281 3.276 ( -14.511 0.000 -6.280) 15.812 3.461 ( -0.759 0.000 3.764) 3.840 3.552 ( 3.697 0.000 0.850) 3.793 3.689 ( 5.718 0.000 -2.623) 6.291 3.840 ( 2.294 0.000 -4.869) 5.383 3.873 ( -0.737 0.000 -1.868) 2.008 3.955 ( -6.000 0.000 -4.937) 7.770 4.059 ( -2.468 0.000 4.363) 5.013 4.124 ( -0.040 0.000 -0.089) 0.098 4.282 ( 3.922 0.000 6.890) 7.929 4.330 ( 0.199 0.000 -5.559) 5.562 4.413 ( -1.926 0.000 -6.982) 7.243 4.473 ( 3.088 0.000 -0.076) 3.089 4.498 ( 1.947 0.000 1.222) 2.299 4.587 ( -1.070 0.000 0.280) 1.106 4.607 ( 1.362 0.000 1.152) 1.784 4.770 ( -0.554 0.000 3.993) 4.031 4.890 ( -3.080 0.000 2.904) 4.233 5.062 ( -3.769 0.000 2.108) 4.319 5.253 ( -4.208 0.000 -3.563) 5.514 5.394 ( -1.308 0.000 10.505) 10.586 5.430 ( -0.703 0.000 -3.099) 3.178 5.605 ( -7.119 0.000 -0.068) 7.119 5.697 ( -1.071 0.000 -0.654) 1.255 6.087 ( 0.290 0.000 1.679) 1.704 6.128 ( -2.777 0.000 2.169) 3.524 6.184 ( -2.472 0.000 2.198) 3.308 6.239 ( -11.307 0.000 0.878) 11.341 6.338 ( 2.756 0.000 -3.530) 4.479 6.423 ( 2.372 0.000 2.481) 3.432 6.580 ( 0.024 0.000 -2.934) 2.934 6.614 ( -3.150 0.000 3.460) 4.680 6.768 ( 2.415 0.000 -1.796) 3.009 6.853 ( 4.559 0.000 0.740) 4.618 6.901 ( 1.075 0.000 -3.806) 3.955 7.022 ( 5.633 0.000 0.053) 5.633 7.206 ( -4.648 0.000 -1.360) 4.843 7.226 ( 4.732 0.000 -2.640) 5.418 7.245 ( -1.265 0.000 1.459) 1.931 7.377 ( 0.493 0.000 -1.692) 1.763 7.509 ( 0.265 0.000 2.333) 2.348 7.618 ( -2.618 0.000 0.653) 2.698 7.635 ( -2.929 0.000 2.405) 3.790 7.701 ( -2.133 0.000 1.237) 2.465 7.718 ( 0.469 0.000 -0.904) 1.018 7.969 ( 0.803 0.000 -1.934) 2.094 7.987 ( 0.695 0.000 0.296) 0.756 8.082 ( -2.981 0.000 2.032) 3.608 8.103 ( 1.692 0.000 0.083) 1.694 8.220 ( -0.970 0.000 -0.449) 1.069 8.298 ( -0.032 0.000 0.522) 0.523 8.320 ( -2.059 0.000 0.471) 2.112 8.367 ( 1.251 0.000 1.049) 1.633 8.465 ( 0.628 0.000 -1.211) 1.365 8.516 ( 2.122 0.000 -3.628) 4.203 8.666 ( 1.873 0.000 -1.245) 2.249 8.719 ( -1.983 0.000 -0.194) 1.992 8.800 ( -2.320 0.000 0.761) 2.441 9.003 ( 1.951 0.000 -0.926) 2.160 9.019 ( 0.853 0.000 3.681) 3.779 9.426 ( -0.806 0.000 -0.963) 1.256 9.496 ( 0.404 0.000 0.090) 0.414 12.704 ( 0.052 0.000 0.088) 0.102 12.722 ( 0.302 0.000 -0.155) 0.339 14.328 ( 0.181 0.000 5.011) 5.015 14.642 ( 4.522 0.000 -8.518) 9.644 17.023 ( -1.808 0.000 4.755) 5.087 17.046 ( -1.969 0.000 4.279) 4.710 17.198 ( 5.571 0.000 2.971) 6.314 17.225 ( 5.548 0.000 -6.766) 8.749 17.231 ( 3.030 0.000 0.870) 3.152 17.318 ( 4.380 0.000 -4.333) 6.161 17.380 ( 1.514 0.000 -4.562) 4.806 17.551 ( 7.894 0.000 1.102) 7.970 17.836 ( -3.456 0.000 4.246) 5.475 17.886 ( -4.508 0.000 -3.735) 5.854 17.943 ( -4.560 0.000 -3.758) 5.909 17.953 ( -1.810 0.000 4.125) 4.505 18.197 ( -0.540 0.000 1.455) 1.552 18.222 ( -1.994 0.000 1.403) 2.438 18.251 ( 2.346 0.000 0.953) 2.533 18.312 ( -0.907 0.000 -1.304) 1.589 18.813 ( 5.252 0.000 0.569) 5.283 18.823 ( 2.447 0.000 -0.927) 2.616 18.972 ( -5.277 0.000 0.133) 5.278 19.159 ( -10.354 0.000 -1.708) 10.494 19.606 ( -0.797 0.000 5.318) 5.377 19.665 ( 0.244 0.000 -3.785) 3.793 19.890 ( -1.035 0.000 1.599) 1.905 19.984 ( -1.774 0.000 -1.860) 2.570 ======================= Grid point 66 (24/80) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( -9.808 0.000 11.779) 15.328 1.282 ( -20.153 0.000 14.374) 24.754 1.521 ( 18.294 0.000 6.804) 19.518 1.587 ( 6.892 0.000 16.758) 18.120 1.784 ( -0.264 0.000 6.328) 6.334 1.980 ( 0.726 0.000 10.649) 10.673 2.147 ( 10.771 0.000 -14.958) 18.432 2.240 ( 3.622 0.000 -1.159) 3.803 2.351 ( -17.732 0.000 -11.965) 21.391 2.510 ( -10.761 0.000 -12.375) 16.400 2.556 ( -4.255 0.000 0.824) 4.334 2.651 ( 1.545 0.000 -0.795) 1.738 2.788 ( 7.535 0.000 2.562) 7.959 2.821 ( -10.215 0.000 -9.536) 13.974 3.002 ( -3.482 0.000 -5.011) 6.102 3.036 ( 4.921 0.000 11.029) 12.078 3.044 ( 4.818 0.000 -6.753) 8.296 3.191 ( 10.612 0.000 7.249) 12.851 3.221 ( 0.289 0.000 -3.150) 3.163 3.498 ( -1.889 0.000 1.170) 2.222 3.625 ( -3.730 0.000 0.986) 3.858 3.703 ( -1.050 0.000 -8.687) 8.750 3.758 ( 7.357 0.000 -2.946) 7.925 3.834 ( 2.925 0.000 -3.582) 4.625 3.989 ( 4.479 0.000 2.884) 5.327 4.034 ( -1.273 0.000 2.404) 2.720 4.177 ( 1.420 0.000 4.296) 4.525 4.286 ( -5.984 0.000 -1.937) 6.290 4.299 ( 2.131 0.000 -5.102) 5.529 4.412 ( 2.876 0.000 2.720) 3.958 4.498 ( -3.235 0.000 3.251) 4.587 4.501 ( 0.404 0.000 -4.048) 4.068 4.594 ( 2.572 0.000 3.081) 4.013 4.707 ( 7.616 0.000 -2.550) 8.032 4.809 ( -2.710 0.000 4.472) 5.229 4.835 ( -5.586 0.000 6.441) 8.526 4.954 ( -3.725 0.000 -3.933) 5.417 5.119 ( -3.590 0.000 -7.277) 8.114 5.442 ( 3.620 0.000 1.166) 3.803 5.464 ( -2.232 0.000 9.069) 9.339 5.625 ( 4.178 0.000 8.141) 9.151 5.683 ( 0.248 0.000 -0.396) 0.467 5.996 ( -8.455 0.000 0.081) 8.456 6.083 ( -2.106 0.000 -0.975) 2.321 6.174 ( 1.651 0.000 4.070) 4.392 6.229 ( 2.668 0.000 3.347) 4.280 6.327 ( 0.010 0.000 -4.954) 4.954 6.472 ( 1.627 0.000 1.022) 1.921 6.583 ( 0.294 0.000 1.181) 1.217 6.588 ( -2.744 0.000 0.641) 2.818 6.786 ( 1.107 0.000 -1.852) 2.157 6.815 ( -4.215 0.000 -5.981) 7.317 6.925 ( 3.370 0.000 -2.289) 4.074 7.071 ( -4.471 0.000 -6.091) 7.556 7.117 ( 3.424 0.000 -0.964) 3.557 7.245 ( -0.433 0.000 2.202) 2.244 7.253 ( -0.290 0.000 -4.128) 4.138 7.345 ( 0.769 0.000 -2.868) 2.969 7.570 ( -1.656 0.000 -0.695) 1.796 7.571 ( 0.834 0.000 4.919) 4.989 7.608 ( -1.788 0.000 1.847) 2.571 7.690 ( -0.846 0.000 2.321) 2.470 7.728 ( 1.096 0.000 -0.476) 1.195 7.960 ( 0.656 0.000 -2.483) 2.568 8.030 ( 1.859 0.000 2.456) 3.080 8.050 ( -1.668 0.000 1.912) 2.537 8.121 ( 0.075 0.000 0.004) 0.075 8.187 ( -1.695 0.000 -1.018) 1.977 8.277 ( 0.174 0.000 -1.905) 1.913 8.309 ( 0.197 0.000 1.344) 1.359 8.419 ( -0.198 0.000 3.882) 3.887 8.485 ( 2.553 0.000 -0.088) 2.554 8.505 ( 1.239 0.000 -4.402) 4.573 8.672 ( -0.042 0.000 -2.619) 2.619 8.696 ( 0.344 0.000 0.255) 0.428 8.773 ( -1.158 0.000 -0.087) 1.162 9.036 ( 1.457 0.000 1.244) 1.916 9.054 ( -1.523 0.000 3.872) 4.160 9.411 ( 0.380 0.000 -1.045) 1.112 9.482 ( -0.893 0.000 -1.727) 1.945 12.706 ( -0.001 0.000 0.180) 0.180 12.724 ( 0.037 0.000 -0.251) 0.254 14.348 ( -3.246 0.000 4.422) 5.485 14.704 ( 8.140 0.000 -3.038) 8.688 17.037 ( -1.801 0.000 4.978) 5.294 17.046 ( -2.341 0.000 3.889) 4.539 17.197 ( -3.775 0.000 -3.696) 5.283 17.244 ( -1.960 0.000 -2.039) 2.828 17.274 ( 5.128 0.000 -3.867) 6.423 17.365 ( 3.526 0.000 -2.250) 4.183 17.397 ( 2.481 0.000 -1.994) 3.183 17.642 ( -3.392 0.000 -1.672) 3.782 17.778 ( 4.352 0.000 -4.031) 5.932 17.796 ( -3.721 0.000 1.556) 4.033 17.943 ( -2.557 0.000 2.692) 3.713 17.944 ( 4.526 0.000 2.281) 5.068 18.196 ( -0.849 0.000 0.330) 0.911 18.204 ( -1.388 0.000 2.261) 2.653 18.264 ( -2.166 0.000 -1.503) 2.636 18.299 ( 1.671 0.000 0.171) 1.680 18.877 ( 2.989 0.000 0.071) 2.990 18.906 ( -1.783 0.000 1.000) 2.044 18.920 ( 0.186 0.000 0.459) 0.495 18.973 ( -1.643 0.000 -2.464) 2.962 19.598 ( -3.793 0.000 2.498) 4.542 19.691 ( 4.339 0.000 0.132) 4.341 19.880 ( -1.057 0.000 0.772) 1.309 19.964 ( 1.177 0.000 -0.774) 1.409 ======================= Grid point 67 (25/80) ======================= q-point: (-0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( -21.661 0.000 13.226) 25.380 0.979 ( -25.390 0.000 17.722) 30.963 1.542 ( -36.792 0.000 -13.159) 39.074 1.929 ( 6.222 0.000 15.919) 17.092 1.957 ( 8.116 0.000 8.233) 11.561 1.957 ( 8.163 0.000 12.039) 14.545 2.150 ( 2.368 0.000 5.047) 5.575 2.186 ( 5.043 0.000 -16.200) 16.967 2.237 ( -0.215 0.000 5.201) 5.206 2.342 ( 1.300 0.000 -6.222) 6.357 2.436 ( -6.154 0.000 -9.761) 11.539 2.631 ( -3.236 0.000 1.217) 3.457 2.678 ( 4.110 0.000 2.599) 4.863 2.860 ( -1.223 0.000 -0.737) 1.428 3.049 ( 7.411 0.000 -0.441) 7.424 3.063 ( 0.326 0.000 -7.138) 7.145 3.097 ( -1.940 0.000 -6.194) 6.491 3.182 ( 6.508 0.000 5.278) 8.379 3.423 ( 0.485 0.000 -4.584) 4.610 3.470 ( 4.749 0.000 1.655) 5.029 3.540 ( -1.264 0.000 -8.519) 8.612 3.625 ( -0.135 0.000 0.565) 0.581 3.781 ( -5.110 0.000 0.051) 5.110 3.839 ( 2.148 0.000 -3.403) 4.024 4.100 ( -1.931 0.000 4.289) 4.703 4.130 ( 6.669 0.000 1.126) 6.763 4.211 ( 1.703 0.000 -1.078) 2.016 4.215 ( -0.220 0.000 1.398) 1.415 4.271 ( -0.234 0.000 -5.137) 5.142 4.371 ( -3.551 0.000 -3.473) 4.967 4.485 ( 1.203 0.000 -0.745) 1.415 4.507 ( -0.159 0.000 5.027) 5.029 4.690 ( -1.466 0.000 -3.881) 4.149 4.732 ( -1.199 0.000 -0.072) 1.202 4.782 ( 3.789 0.000 7.201) 8.137 4.906 ( 5.844 0.000 -1.815) 6.119 4.926 ( -0.250 0.000 4.169) 4.176 5.017 ( 0.178 0.000 0.696) 0.718 5.458 ( -2.985 0.000 -0.172) 2.989 5.588 ( 7.441 0.000 2.614) 7.887 5.719 ( -1.788 0.000 6.203) 6.456 5.827 ( 5.873 0.000 7.696) 9.681 5.847 ( -1.604 0.000 -6.637) 6.828 6.058 ( 1.589 0.000 -0.904) 1.828 6.225 ( -1.562 0.000 1.762) 2.355 6.252 ( -1.251 0.000 -6.066) 6.193 6.390 ( 4.609 0.000 14.439) 15.157 6.497 ( -2.895 0.000 -5.832) 6.511 6.503 ( -0.184 0.000 -1.200) 1.214 6.582 ( -2.664 0.000 4.735) 5.433 6.676 ( -5.290 0.000 -1.267) 5.439 6.765 ( -0.592 0.000 -2.539) 2.607 6.940 ( 1.959 0.000 -4.330) 4.752 6.952 ( -0.940 0.000 -5.245) 5.328 7.133 ( 0.336 0.000 -1.321) 1.363 7.134 ( -5.895 0.000 -5.783) 8.258 7.267 ( 0.150 0.000 0.524) 0.545 7.345 ( 0.809 0.000 -2.047) 2.201 7.539 ( -0.917 0.000 -0.669) 1.135 7.600 ( 0.107 0.000 1.233) 1.238 7.621 ( -2.130 0.000 6.934) 7.254 7.701 ( 0.202 0.000 -0.011) 0.202 7.746 ( 1.326 0.000 -0.216) 1.343 7.930 ( -0.905 0.000 -3.655) 3.765 8.043 ( -0.367 0.000 2.429) 2.457 8.096 ( -1.706 0.000 -0.365) 1.745 8.122 ( 3.281 0.000 3.637) 4.899 8.194 ( 2.606 0.000 0.077) 2.607 8.276 ( 1.326 0.000 -1.981) 2.384 8.332 ( 0.935 0.000 0.907) 1.303 8.436 ( -0.803 0.000 2.384) 2.516 8.483 ( 0.792 0.000 -3.881) 3.962 8.558 ( 3.103 0.000 3.138) 4.413 8.635 ( 0.254 0.000 -4.406) 4.414 8.717 ( 0.582 0.000 1.619) 1.720 8.737 ( -1.148 0.000 -3.103) 3.309 9.033 ( -3.512 0.000 1.883) 3.985 9.087 ( 1.191 0.000 3.448) 3.648 9.422 ( 1.111 0.000 0.178) 1.126 9.430 ( -1.947 0.000 -2.838) 3.441 12.707 ( -0.096 0.000 0.222) 0.242 12.719 ( -0.157 0.000 -0.284) 0.325 14.301 ( -5.033 0.000 3.018) 5.868 14.869 ( 11.028 0.000 -3.770) 11.654 17.035 ( -2.458 0.000 3.528) 4.300 17.039 ( -7.575 0.000 -2.808) 8.079 17.058 ( -1.444 0.000 5.383) 5.574 17.140 ( -6.100 0.000 -1.497) 6.281 17.353 ( 4.593 0.000 2.203) 5.094 17.393 ( 0.785 0.000 -1.108) 1.358 17.409 ( 2.292 0.000 -3.975) 4.589 17.524 ( -1.993 0.000 -5.432) 5.786 17.730 ( -3.316 0.000 -0.412) 3.341 17.911 ( 7.903 0.000 0.623) 7.927 17.917 ( -2.065 0.000 1.155) 2.366 18.068 ( 4.531 0.000 2.398) 5.127 18.182 ( -1.494 0.000 1.632) 2.213 18.203 ( -0.095 0.000 -0.015) 0.097 18.205 ( -2.276 0.000 -1.089) 2.524 18.325 ( 0.909 0.000 -0.003) 0.909 18.818 ( -4.930 0.000 0.903) 5.012 18.861 ( -2.196 0.000 0.195) 2.205 18.979 ( 4.957 0.000 1.448) 5.164 19.025 ( 3.508 0.000 -5.792) 6.771 19.548 ( -2.226 0.000 1.167) 2.513 19.812 ( 6.040 0.000 1.876) 6.325 19.869 ( -0.637 0.000 0.710) 0.954 20.005 ( 3.595 0.000 -1.021) 3.738 ======================= Grid point 68 (26/80) ======================= q-point: (-0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( -32.025 0.000 -2.670) 32.136 0.653 ( -23.067 0.000 21.253) 31.365 0.803 ( -30.080 0.000 22.664) 37.663 1.986 ( -6.665 0.000 3.608) 7.579 2.019 ( -2.999 0.000 -7.872) 8.424 2.075 ( 3.710 0.000 -17.040) 17.440 2.193 ( 5.021 0.000 5.916) 7.759 2.202 ( -0.027 0.000 10.536) 10.536 2.274 ( -1.520 0.000 0.437) 1.581 2.373 ( 2.428 0.000 -0.818) 2.562 2.501 ( 11.136 0.000 3.964) 11.820 2.573 ( -1.668 0.000 -1.643) 2.342 2.790 ( -9.573 0.000 -2.875) 9.995 2.851 ( -1.754 0.000 3.025) 3.497 2.852 ( 3.328 0.000 2.791) 4.344 3.095 ( 2.095 0.000 -7.506) 7.793 3.196 ( 7.451 0.000 -2.766) 7.948 3.300 ( -6.218 0.000 -4.290) 7.554 3.336 ( 3.473 0.000 -1.431) 3.756 3.426 ( 3.963 0.000 -4.241) 5.805 3.579 ( -1.980 0.000 -5.245) 5.606 3.647 ( 1.574 0.000 5.671) 5.885 3.713 ( -1.778 0.000 0.159) 1.785 3.843 ( 2.620 0.000 -2.102) 3.359 4.082 ( -1.505 0.000 5.247) 5.458 4.112 ( -5.280 0.000 -4.774) 7.118 4.166 ( 1.938 0.000 -10.437) 10.615 4.228 ( 1.018 0.000 0.753) 1.266 4.262 ( 1.060 0.000 2.049) 2.307 4.366 ( 0.198 0.000 -0.044) 0.203 4.543 ( 2.896 0.000 1.572) 3.295 4.553 ( 0.147 0.000 2.899) 2.902 4.624 ( 2.390 0.000 -5.879) 6.346 4.678 ( -1.708 0.000 -6.020) 6.257 4.859 ( -2.762 0.000 3.564) 4.509 4.968 ( 3.921 0.000 2.595) 4.702 5.038 ( 2.466 0.000 8.807) 9.146 5.096 ( -0.466 0.000 -13.161) 13.169 5.476 ( 5.909 0.000 10.855) 12.360 5.620 ( -1.968 0.000 4.672) 5.069 5.707 ( 1.918 0.000 0.658) 2.028 5.876 ( -1.761 0.000 8.183) 8.370 5.944 ( 5.727 0.000 -2.655) 6.312 6.095 ( -1.974 0.000 0.330) 2.001 6.207 ( -0.176 0.000 4.796) 4.799 6.209 ( 1.854 0.000 -0.372) 1.890 6.377 ( -1.188 0.000 -5.374) 5.504 6.419 ( -1.918 0.000 -6.597) 6.870 6.595 ( -2.555 0.000 -0.187) 2.562 6.613 ( -1.003 0.000 5.978) 6.061 6.714 ( 9.957 0.000 22.449) 24.558 6.755 ( -0.060 0.000 2.033) 2.034 6.916 ( 0.546 0.000 -2.127) 2.196 6.916 ( 0.261 0.000 -5.455) 5.461 6.975 ( -3.182 0.000 0.500) 3.222 7.136 ( 1.035 0.000 0.152) 1.046 7.248 ( -0.957 0.000 -0.189) 0.975 7.334 ( 0.450 0.000 -1.861) 1.915 7.528 ( 0.270 0.000 -0.573) 0.633 7.621 ( 0.237 0.000 2.061) 2.075 7.654 ( -1.409 0.000 6.320) 6.476 7.698 ( -0.167 0.000 0.286) 0.331 7.784 ( 2.509 0.000 -0.023) 2.509 7.860 ( -2.003 0.000 -3.296) 3.857 8.062 ( -0.083 0.000 1.126) 1.129 8.071 ( -0.355 0.000 -0.888) 0.956 8.216 ( 2.307 0.000 3.948) 4.573 8.239 ( 1.165 0.000 0.496) 1.266 8.289 ( 2.332 0.000 -2.346) 3.308 8.361 ( 1.399 0.000 -0.762) 1.593 8.439 ( -1.498 0.000 -5.753) 5.945 8.442 ( -0.683 0.000 1.586) 1.727 8.604 ( 1.198 0.000 -4.027) 4.201 8.630 ( -1.710 0.000 1.068) 2.016 8.695 ( 2.882 0.000 -1.254) 3.142 8.749 ( 0.269 0.000 2.957) 2.969 8.969 ( -3.287 0.000 -0.680) 3.357 9.125 ( -0.636 0.000 0.938) 1.133 9.375 ( -0.802 0.000 -0.792) 1.127 9.453 ( 1.298 0.000 1.937) 2.332 12.706 ( -0.166 0.000 0.156) 0.228 12.714 ( -0.095 0.000 -0.227) 0.246 14.240 ( -3.730 0.000 2.622) 4.560 14.906 ( -1.235 0.000 -21.685) 21.720 16.900 ( -4.826 0.000 0.434) 4.845 17.024 ( -2.447 0.000 3.845) 4.558 17.025 ( -4.604 0.000 0.997) 4.711 17.086 ( -0.453 0.000 2.983) 3.018 17.357 ( -2.163 0.000 -3.147) 3.819 17.411 ( 2.751 0.000 -5.094) 5.789 17.463 ( 0.773 0.000 -5.325) 5.380 17.533 ( 6.578 0.000 9.491) 11.548 17.670 ( -2.424 0.000 -3.276) 4.075 17.890 ( -0.802 0.000 -0.104) 0.809 18.045 ( 5.250 0.000 -0.474) 5.272 18.144 ( 0.317 0.000 2.481) 2.501 18.162 ( -1.503 0.000 0.079) 1.505 18.173 ( -1.442 0.000 2.477) 2.866 18.204 ( 1.699 0.000 -2.054) 2.666 18.335 ( 0.207 0.000 -0.378) 0.431 18.763 ( -2.342 0.000 0.212) 2.351 18.819 ( -1.410 0.000 -1.206) 1.855 18.990 ( 1.189 0.000 1.348) 1.798 19.088 ( 3.365 0.000 2.874) 4.425 19.542 ( -0.060 0.000 0.618) 0.621 19.866 ( -1.065 0.000 0.058) 1.066 19.905 ( 2.274 0.000 -1.341) 2.640 20.066 ( 3.738 0.000 -1.565) 4.052 ======================= Grid point 69 (27/80) ======================= q-point: ( 0.00 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.627 ( 14.419 15.054 18.194) 27.669 0.688 ( -1.921 18.506 13.339) 22.893 1.125 ( -10.120 26.435 28.301) 40.027 1.715 ( -1.350 -4.895 -15.550) 16.358 1.949 ( -4.219 2.816 -6.563) 8.294 2.091 ( 0.104 3.757 -10.428) 11.085 2.224 ( -0.090 4.211 5.508) 6.934 2.264 ( 0.182 0.484 -1.891) 1.960 2.290 ( -5.945 0.895 2.817) 6.639 2.463 ( -4.676 1.987 1.433) 5.279 2.554 ( 3.698 7.441 2.829) 8.778 2.657 ( 0.126 7.806 -5.706) 9.670 2.799 ( 0.552 2.644 0.038) 2.702 2.905 ( 1.986 4.999 3.379) 6.352 2.935 ( -2.537 1.440 4.845) 5.655 3.061 ( 1.306 -0.003 -8.145) 8.249 3.164 ( -0.504 0.198 -1.913) 1.988 3.300 ( 1.558 -6.228 -0.495) 6.439 3.363 ( 3.728 -0.948 -2.297) 4.481 3.399 ( 6.998 2.436 1.357) 7.533 3.554 ( -4.773 0.643 0.435) 4.836 3.657 ( 1.137 -0.268 3.498) 3.688 3.783 ( 1.041 5.348 -0.049) 5.448 3.973 ( 0.710 -0.949 0.484) 1.280 4.014 ( -0.703 -3.946 -6.931) 8.007 4.081 ( 2.056 2.167 -3.927) 4.933 4.196 ( 1.927 -0.098 -2.875) 3.462 4.255 ( -2.366 -0.198 0.465) 2.419 4.290 ( 5.674 -1.704 1.909) 6.224 4.320 ( -2.967 -0.446 -3.712) 4.773 4.487 ( -0.481 -4.358 0.716) 4.442 4.538 ( -2.513 -1.684 1.052) 3.203 4.632 ( -0.119 -0.410 -4.965) 4.983 4.684 ( 1.874 0.927 -1.316) 2.470 4.829 ( -4.624 3.393 -1.366) 5.896 4.879 ( 0.232 2.844 0.291) 2.869 5.120 ( 1.182 -1.340 8.092) 8.287 5.137 ( -1.821 1.215 3.591) 4.206 5.397 ( -0.481 -3.006 -1.481) 3.386 5.620 ( -0.212 -4.276 -1.509) 4.539 5.722 ( -1.423 -6.362 0.924) 6.584 5.874 ( -1.352 -1.763 0.669) 2.320 6.009 ( 6.948 -3.921 -1.933) 8.209 6.102 ( -2.806 -4.066 4.367) 6.593 6.142 ( -2.256 -6.777 2.389) 7.531 6.285 ( 2.400 2.217 1.077) 3.440 6.319 ( 4.775 -4.794 7.170) 9.859 6.486 ( 0.418 2.824 -1.120) 3.067 6.514 ( -4.848 -4.359 -2.608) 7.021 6.645 ( 3.124 0.657 0.372) 3.214 6.680 ( -4.162 0.606 1.676) 4.528 6.809 ( 3.178 -1.055 -4.201) 5.372 6.914 ( 0.102 1.242 -0.660) 1.410 7.006 ( 1.556 -0.124 1.190) 1.963 7.111 ( -1.202 -10.707 6.363) 12.513 7.173 ( 2.663 -1.272 5.190) 5.970 7.223 ( 2.938 -1.268 -2.757) 4.224 7.367 ( -0.541 2.805 -0.877) 2.988 7.493 ( 1.747 -3.418 1.402) 4.087 7.530 ( -5.517 -2.129 4.864) 7.657 7.692 ( -1.703 3.023 2.318) 4.173 7.702 ( 0.304 -1.038 1.429) 1.792 7.814 ( -0.303 2.537 -2.135) 3.330 7.896 ( 1.933 2.222 -0.587) 3.003 8.013 ( 0.187 -2.637 -0.824) 2.769 8.048 ( -1.061 -0.837 -0.176) 1.363 8.158 ( -0.709 0.518 -0.923) 1.274 8.235 ( 0.673 -3.015 -0.324) 3.106 8.306 ( -1.727 0.882 -2.081) 2.845 8.322 ( -0.029 -1.395 -0.559) 1.503 8.408 ( 2.421 0.663 0.280) 2.526 8.444 ( -1.120 0.597 1.265) 1.792 8.544 ( -1.456 -0.586 -3.093) 3.468 8.593 ( 1.997 -1.280 -2.227) 3.254 8.742 ( -1.265 -2.147 3.827) 4.567 8.800 ( 2.232 0.501 1.821) 2.924 8.973 ( -0.020 3.749 -0.881) 3.851 9.084 ( -2.641 1.511 -3.748) 4.827 9.390 ( 1.744 -1.193 2.543) 3.306 9.457 ( -0.473 -1.608 0.910) 1.907 12.793 ( 0.149 7.471 0.522) 7.490 13.048 ( 0.040 15.632 -14.483) 21.310 14.197 ( -0.876 -2.531 2.931) 3.970 14.495 ( 2.494 -5.880 -4.258) 7.676 16.970 ( 1.562 3.386 1.212) 3.921 16.991 ( 0.719 1.465 0.449) 1.693 17.049 ( -2.858 1.511 5.027) 5.977 17.103 ( -3.603 2.639 4.488) 6.332 17.269 ( -1.619 1.065 -6.339) 6.629 17.293 ( -5.203 -0.410 -4.186) 6.690 17.461 ( 2.306 2.708 -3.239) 4.811 17.525 ( -1.412 5.376 -7.061) 8.986 17.750 ( 2.711 -1.004 8.091) 8.592 17.885 ( -1.324 -2.248 2.469) 3.592 18.025 ( 2.925 -5.326 0.676) 6.114 18.088 ( -0.921 -3.607 1.527) 4.023 18.138 ( -0.849 -2.037 1.039) 2.439 18.142 ( 0.893 -0.209 0.471) 1.031 18.210 ( 1.433 -1.572 -1.230) 2.457 18.307 ( -0.010 -2.161 -0.567) 2.234 18.753 ( -0.263 2.180 -0.099) 2.198 18.793 ( 0.583 0.384 -0.773) 1.041 19.104 ( -1.824 -2.969 2.976) 4.583 19.352 ( 11.687 -2.104 -3.540) 12.392 19.487 ( -4.168 -0.527 2.610) 4.946 19.759 ( -1.560 -2.069 7.414) 7.853 19.824 ( -1.794 -4.245 -4.539) 6.468 20.057 ( 0.748 -3.763 -2.118) 4.382 ======================= Grid point 70 (28/80) ======================= q-point: ( 0.17 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( 7.730 16.853 12.077) 22.127 1.024 ( 2.705 19.616 22.006) 29.604 1.456 ( -2.674 3.972 -19.316) 19.900 1.541 ( 20.099 9.263 22.144) 31.306 1.796 ( 3.080 -5.982 -10.561) 12.522 2.032 ( -6.017 -1.447 -4.574) 7.695 2.121 ( -7.276 3.769 1.540) 8.337 2.219 ( -6.448 4.621 0.029) 7.933 2.331 ( 5.424 6.119 -0.180) 8.179 2.434 ( -0.136 5.176 3.127) 6.049 2.581 ( 1.037 4.854 -2.677) 5.639 2.662 ( 3.908 6.344 2.697) 7.925 2.797 ( -1.070 -0.971 0.941) 1.725 2.872 ( -6.696 1.755 4.237) 8.116 2.967 ( 0.961 0.926 -2.870) 3.165 3.041 ( 4.795 1.979 -2.969) 5.977 3.180 ( 2.191 1.846 -1.172) 3.095 3.295 ( 1.786 -2.369 -6.855) 7.469 3.411 ( 1.460 -3.074 -2.952) 4.505 3.439 ( -4.407 -5.642 0.259) 7.164 3.531 ( 0.162 2.564 4.087) 4.828 3.697 ( -0.153 1.411 -1.405) 1.997 3.818 ( 0.948 4.264 2.303) 4.938 3.908 ( -0.125 1.700 -3.730) 4.101 4.017 ( -0.149 -4.122 -0.493) 4.154 4.096 ( -0.528 -2.127 -3.141) 3.830 4.144 ( -5.307 0.915 -3.841) 6.615 4.180 ( 3.451 -1.215 0.790) 3.742 4.287 ( 0.115 -3.850 3.554) 5.241 4.414 ( 4.555 -0.721 0.652) 4.657 4.479 ( -1.568 -4.057 -2.965) 5.264 4.497 ( -1.560 -0.966 -2.077) 2.771 4.582 ( -0.610 0.161 -2.427) 2.507 4.659 ( -2.730 3.809 -0.691) 4.737 4.778 ( -0.358 1.946 1.599) 2.544 4.913 ( 0.485 2.043 2.313) 3.124 5.085 ( -4.097 0.233 3.259) 5.240 5.245 ( 1.305 -2.604 7.512) 8.057 5.399 ( 0.668 2.553 1.646) 3.111 5.556 ( -1.959 0.903 -6.359) 6.715 5.632 ( -4.918 -6.634 -1.484) 8.390 5.822 ( -3.646 -0.469 -2.674) 4.545 6.050 ( -0.070 -0.027 -0.393) 0.401 6.107 ( -3.017 -2.748 5.580) 6.913 6.124 ( -1.192 -9.111 0.639) 9.210 6.285 ( -2.221 -3.327 0.020) 4.000 6.362 ( -3.987 -1.865 -1.677) 4.710 6.442 ( 0.181 1.138 0.699) 1.348 6.538 ( -0.699 -3.638 4.218) 5.614 6.665 ( 3.027 -0.572 2.029) 3.689 6.688 ( 0.935 0.966 0.941) 1.641 6.840 ( 1.070 -1.909 -1.774) 2.817 6.923 ( 1.687 1.564 -0.891) 2.468 6.974 ( -2.504 5.605 -1.227) 6.261 7.096 ( -0.241 -8.117 2.198) 8.413 7.190 ( -0.488 -2.941 -2.197) 3.703 7.278 ( 0.674 -0.745 3.019) 3.182 7.349 ( 1.360 -0.158 -1.613) 2.116 7.518 ( -0.925 0.414 2.393) 2.599 7.575 ( 1.858 -2.580 3.792) 4.948 7.671 ( -2.703 0.791 2.937) 4.069 7.710 ( -0.114 0.364 -0.580) 0.695 7.789 ( -0.649 3.271 -1.402) 3.618 7.921 ( 1.416 -1.219 -1.669) 2.505 8.019 ( 0.614 1.735 -0.230) 1.855 8.050 ( 1.757 -2.159 0.470) 2.823 8.147 ( -1.470 1.494 0.726) 2.218 8.233 ( -0.369 -1.657 -1.275) 2.123 8.268 ( -1.126 0.253 -0.628) 1.314 8.289 ( -0.794 -2.977 0.127) 3.083 8.407 ( -2.430 0.562 -0.600) 2.565 8.454 ( 1.286 -0.375 -1.773) 2.222 8.526 ( 2.445 1.296 -1.286) 3.051 8.628 ( 2.762 -1.100 -1.329) 3.256 8.731 ( -2.500 -1.980 1.856) 3.689 8.842 ( -0.214 0.305 1.597) 1.640 8.988 ( 1.174 2.466 0.914) 2.880 9.010 ( -0.455 1.579 -3.096) 3.506 9.439 ( -0.577 -1.418 0.471) 1.602 9.453 ( 1.060 -1.132 1.282) 2.012 12.800 ( -0.235 7.976 0.548) 7.998 12.883 ( -3.530 13.378 -4.113) 14.434 14.237 ( 1.202 -2.597 3.644) 4.634 14.553 ( 6.157 -8.761 -9.341) 14.209 17.012 ( -1.071 -0.455 3.644) 3.825 17.026 ( 1.922 0.747 2.495) 3.237 17.052 ( -1.679 1.444 4.957) 5.429 17.109 ( 1.417 0.579 3.360) 3.693 17.217 ( 2.893 1.061 -5.303) 6.133 17.288 ( 5.603 0.369 -1.512) 5.816 17.461 ( 0.722 4.208 -5.594) 7.037 17.480 ( 2.930 2.857 -3.583) 5.439 17.830 ( -2.292 -1.100 6.434) 6.918 17.881 ( -1.620 -3.801 2.420) 4.788 18.017 ( -2.036 0.687 -1.177) 2.450 18.046 ( -2.293 -2.058 -2.944) 4.262 18.146 ( 0.543 -3.594 1.385) 3.890 18.173 ( -0.101 -2.119 2.667) 3.408 18.217 ( 0.102 -1.808 -0.590) 1.904 18.295 ( -0.205 -2.471 -1.410) 2.852 18.767 ( 1.991 2.231 -0.165) 2.995 18.808 ( 1.856 0.911 -0.784) 2.211 19.056 ( -5.204 -2.425 1.705) 5.989 19.326 ( -6.134 -3.327 -2.478) 7.406 19.553 ( 3.006 1.846 4.563) 5.768 19.715 ( -1.820 -2.832 -5.706) 6.625 19.834 ( -0.007 -3.235 3.791) 4.984 20.025 ( -1.241 -2.659 -2.328) 3.746 ======================= Grid point 71 (29/80) ======================= q-point: ( 0.33 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( 7.355 13.330 8.631) 17.501 1.294 ( 3.456 13.336 16.112) 21.198 1.323 ( 8.663 8.565 -4.282) 12.913 1.701 ( -7.894 0.092 -0.875) 7.943 1.875 ( 3.319 -6.288 -7.121) 10.063 1.937 ( -6.533 5.790 3.756) 9.503 2.038 ( -10.285 3.617 3.606) 11.484 2.251 ( 15.923 -1.611 6.664) 17.336 2.385 ( 7.151 12.177 -7.280) 15.887 2.537 ( -4.830 -3.767 1.896) 6.413 2.640 ( 13.729 3.644 10.430) 17.622 2.703 ( -4.933 0.464 -2.299) 5.462 2.806 ( -1.003 2.018 1.483) 2.697 2.871 ( 6.029 1.966 -0.507) 6.362 2.907 ( -3.244 0.922 -4.190) 5.379 3.075 ( -2.293 -1.110 1.574) 2.995 3.164 ( -4.651 0.951 -6.804) 8.296 3.246 ( -2.671 3.817 -1.662) 4.946 3.280 ( -0.946 0.866 -4.569) 4.746 3.449 ( 1.606 -1.473 -1.645) 2.730 3.510 ( -1.946 -0.036 2.861) 3.460 3.653 ( -1.069 -5.265 -5.449) 7.652 3.798 ( 1.302 0.997 -0.493) 1.712 3.955 ( 1.730 -0.151 -4.242) 4.584 3.998 ( 1.397 5.136 -0.630) 5.360 4.037 ( -1.356 -1.971 1.856) 3.028 4.059 ( -2.205 -3.689 -0.502) 4.327 4.279 ( -0.536 -2.745 -2.919) 4.043 4.317 ( 0.199 0.503 4.092) 4.128 4.383 ( 0.169 -4.042 -3.577) 5.401 4.439 ( -2.036 -1.168 -1.542) 2.808 4.498 ( 4.275 -1.036 0.663) 4.448 4.561 ( -0.198 -1.300 -1.074) 1.698 4.659 ( 1.669 4.563 2.228) 5.345 4.788 ( -0.687 1.484 3.330) 3.710 4.916 ( -3.865 1.312 3.905) 5.649 5.056 ( -1.566 0.017 0.609) 1.681 5.301 ( -2.464 2.844 -0.305) 3.776 5.408 ( -4.228 0.631 2.531) 4.968 5.460 ( 0.220 2.950 -0.974) 3.114 5.577 ( 1.755 -2.709 1.514) 3.565 5.708 ( -5.165 1.526 -1.340) 5.550 6.061 ( -1.292 -2.712 1.208) 3.237 6.099 ( -2.653 -2.804 3.011) 4.895 6.102 ( -0.091 -6.438 3.119) 7.154 6.168 ( -8.573 -5.760 1.014) 10.378 6.307 ( 0.445 -2.663 -3.806) 4.667 6.467 ( 0.694 1.933 2.648) 3.351 6.518 ( -0.412 -2.022 -3.686) 4.224 6.698 ( 0.054 3.823 1.272) 4.030 6.767 ( 2.461 0.355 -0.540) 2.545 6.844 ( 1.443 -3.064 2.285) 4.085 6.915 ( 1.819 3.478 -7.408) 8.384 6.999 ( 3.849 -1.698 -0.841) 4.290 7.108 ( -1.843 -9.202 1.123) 9.452 7.165 ( -0.478 -2.443 0.141) 2.493 7.283 ( 1.976 2.656 -3.269) 4.652 7.411 ( 2.527 0.876 2.335) 3.551 7.515 ( -0.682 1.142 0.752) 1.528 7.591 ( -2.156 -1.894 0.736) 2.963 7.647 ( -2.272 0.349 1.663) 2.837 7.705 ( -0.927 0.783 2.291) 2.593 7.762 ( -0.410 3.262 -1.167) 3.489 7.933 ( 1.950 -0.928 -1.892) 2.871 8.021 ( -0.304 1.310 0.178) 1.357 8.090 ( -3.304 -0.895 -0.340) 3.440 8.105 ( 2.602 0.093 0.642) 2.681 8.212 ( -1.277 0.429 -0.351) 1.392 8.264 ( 0.321 -1.768 0.959) 2.037 8.321 ( 1.228 -2.111 3.188) 4.016 8.339 ( -2.519 -0.293 -2.300) 3.423 8.456 ( 0.979 -0.440 -1.366) 1.737 8.553 ( 1.816 1.934 -2.632) 3.737 8.662 ( 1.467 -0.734 -0.789) 1.820 8.696 ( -1.776 -1.253 0.173) 2.180 8.827 ( -1.687 1.465 0.312) 2.256 9.003 ( 1.498 0.501 -0.524) 1.664 9.035 ( 0.944 1.533 3.077) 3.565 9.417 ( -0.682 -0.888 -0.915) 1.446 9.482 ( 0.446 -1.342 0.115) 1.419 12.788 ( -0.719 7.742 -0.126) 7.776 12.835 ( -0.457 9.991 -0.359) 10.008 14.297 ( 0.317 -3.144 4.159) 5.223 14.554 ( 3.862 -7.906 -6.614) 11.007 17.024 ( -1.287 -0.720 3.667) 3.953 17.061 ( -2.300 1.171 4.845) 5.489 17.095 ( 3.659 -4.866 -1.443) 6.257 17.162 ( 2.062 -3.094 -1.028) 3.858 17.287 ( 5.819 1.870 0.715) 6.154 17.382 ( 1.989 3.351 -1.135) 4.059 17.413 ( -0.152 2.470 -3.590) 4.361 17.552 ( 7.030 0.249 0.407) 7.046 17.814 ( -2.725 -3.000 2.062) 4.548 17.837 ( -3.350 -3.630 -2.197) 5.406 17.942 ( -3.695 0.498 -2.484) 4.480 17.986 ( -1.969 1.777 1.428) 3.012 18.171 ( 0.644 -2.560 0.365) 2.665 18.187 ( -1.376 -2.559 1.825) 3.431 18.218 ( 0.984 -2.641 0.341) 2.838 18.269 ( -0.806 -2.681 -1.696) 3.273 18.819 ( 3.382 0.630 -0.846) 3.543 18.860 ( 4.347 2.308 0.329) 4.933 18.966 ( -4.670 -0.702 0.731) 4.779 19.152 ( -8.851 -0.787 -2.320) 9.183 19.606 ( 0.062 -1.332 0.662) 1.489 19.682 ( 0.482 2.645 0.926) 2.844 19.837 ( -1.621 -4.615 1.497) 5.116 19.981 ( -1.050 -0.625 -1.617) 2.026 ======================= Grid point 72 (30/80) ======================= q-point: (-0.50 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( -13.762 6.429 5.752) 16.242 1.491 ( -12.230 15.217 14.208) 24.146 1.562 ( 16.219 4.750 6.188) 17.998 1.677 ( 8.306 8.080 10.420) 15.584 1.862 ( -1.059 6.949 8.802) 11.264 1.934 ( 6.397 -7.505 -4.039) 10.657 2.024 ( 2.734 -0.180 6.512) 7.066 2.333 ( -12.786 -1.871 -8.450) 15.440 2.398 ( -3.914 1.606 -1.744) 4.575 2.487 ( -0.931 2.536 -5.141) 5.808 2.585 ( -8.566 2.102 -8.382) 12.167 2.623 ( 2.771 -1.019 -3.373) 4.483 2.792 ( 0.027 0.951 -3.553) 3.679 2.886 ( -2.473 -2.575 0.269) 3.580 2.951 ( -3.807 5.460 -4.634) 8.111 2.995 ( 0.710 0.573 -1.776) 1.997 3.118 ( 9.671 -0.760 1.176) 9.771 3.210 ( 1.137 3.344 2.299) 4.214 3.317 ( 2.319 7.140 0.025) 7.507 3.476 ( -0.926 -2.674 -0.344) 2.850 3.554 ( 1.067 -0.277 3.458) 3.630 3.605 ( 6.158 -6.119 -2.527) 9.042 3.852 ( -5.992 0.213 -1.580) 6.201 3.883 ( 3.298 5.220 -1.600) 6.378 4.013 ( 4.653 1.707 -1.603) 5.209 4.042 ( 1.334 -1.216 -0.448) 1.860 4.125 ( 4.277 -1.189 1.881) 4.821 4.172 ( -4.346 -4.494 -1.295) 6.385 4.353 ( 1.934 -4.113 -0.923) 4.637 4.377 ( -2.485 -2.407 -3.079) 4.631 4.420 ( 1.699 -2.462 2.639) 3.989 4.520 ( -2.178 1.281 0.838) 2.662 4.578 ( 1.950 -1.497 1.654) 2.963 4.754 ( 3.983 3.260 -0.040) 5.147 4.817 ( -1.604 0.411 4.234) 4.546 4.856 ( -4.955 1.700 3.945) 6.558 5.020 ( -1.350 5.035 -1.169) 5.343 5.160 ( -3.971 3.309 -6.958) 8.668 5.385 ( 1.605 -1.835 3.094) 3.939 5.546 ( 0.416 3.617 3.950) 5.372 5.625 ( -1.184 -2.431 1.978) 3.350 5.690 ( 5.491 2.823 5.035) 7.967 5.966 ( -8.449 -2.859 -0.235) 8.923 6.049 ( -1.434 -3.824 -1.547) 4.367 6.121 ( 1.768 -4.894 1.981) 5.568 6.177 ( 0.080 -3.411 6.318) 7.180 6.302 ( 3.384 -2.238 -2.636) 4.838 6.453 ( -0.107 -3.029 -5.716) 6.470 6.500 ( -1.138 -2.571 1.507) 3.190 6.710 ( -2.193 5.408 0.874) 5.901 6.744 ( -0.543 -1.493 -3.302) 3.665 6.861 ( -0.187 2.313 -1.388) 2.704 6.900 ( 1.803 -1.899 -3.691) 4.526 7.054 ( -0.787 -3.313 -2.792) 4.404 7.069 ( 3.104 -3.200 -2.620) 5.171 7.137 ( -2.087 -3.112 0.393) 3.767 7.304 ( 1.344 2.340 -0.993) 2.875 7.418 ( -1.756 4.242 -1.871) 4.957 7.537 ( -0.728 -2.690 2.197) 3.549 7.564 ( 0.764 -0.535 1.137) 1.470 7.623 ( -1.933 0.810 2.079) 2.952 7.721 ( -0.771 1.996 3.488) 4.092 7.761 ( 1.277 3.031 -0.793) 3.384 7.952 ( 1.879 0.178 -2.326) 2.995 8.016 ( -1.350 -1.339 1.056) 2.175 8.052 ( 0.681 -0.795 -0.153) 1.058 8.142 ( -0.476 1.839 1.146) 2.218 8.192 ( 0.025 0.189 -0.381) 0.426 8.243 ( -1.433 -1.440 -1.666) 2.627 8.303 ( -0.175 -0.793 1.528) 1.730 8.376 ( 1.049 -3.026 1.448) 3.515 8.479 ( 2.569 -0.449 -0.357) 2.632 8.546 ( 0.436 2.189 -2.540) 3.382 8.649 ( -0.834 -1.795 -1.539) 2.507 8.690 ( 0.646 -0.261 -0.150) 0.713 8.794 ( -1.321 1.167 -1.248) 2.160 9.039 ( 1.453 0.558 1.879) 2.440 9.073 ( -0.991 1.709 3.707) 4.200 9.403 ( 0.362 -0.764 -1.004) 1.312 9.470 ( -0.846 -1.175 -1.563) 2.131 12.786 ( 0.341 7.441 0.441) 7.462 12.827 ( 0.026 9.370 -0.488) 9.383 14.315 ( -2.730 -3.287 3.646) 5.617 14.604 ( 6.268 -8.924 -2.537) 11.197 17.037 ( -1.464 -0.524 4.005) 4.296 17.056 ( -2.873 0.901 4.407) 5.338 17.125 ( 0.505 -4.678 -2.188) 5.188 17.182 ( 0.859 -3.066 -1.362) 3.463 17.323 ( -1.257 0.889 -3.455) 3.783 17.336 ( -1.305 -1.181 -1.805) 2.521 17.440 ( 3.182 2.331 -0.663) 4.000 17.643 ( -2.349 0.063 -1.508) 2.792 17.753 ( 3.895 -2.137 -2.003) 4.874 17.810 ( -1.730 0.255 1.313) 2.187 17.932 ( 2.964 -0.088 1.906) 3.525 17.964 ( -0.963 0.841 1.066) 1.665 18.154 ( -1.533 -3.074 -1.203) 3.640 18.189 ( 0.143 -1.001 0.534) 1.144 18.215 ( -1.620 -4.060 -1.131) 4.515 18.261 ( 1.112 -2.568 0.403) 2.827 18.879 ( 3.486 -0.485 -0.074) 3.520 18.902 ( -3.091 -0.295 0.926) 3.240 18.959 ( -3.299 2.443 -0.468) 4.132 18.989 ( 3.335 1.375 -1.774) 4.020 19.619 ( -1.564 0.863 2.096) 2.754 19.693 ( 1.716 1.098 0.163) 2.044 19.829 ( -0.726 -4.599 1.667) 4.945 19.961 ( 0.746 -0.477 -1.443) 1.693 ======================= Grid point 73 (31/80) ======================= q-point: (-0.33 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( -18.446 6.299 7.573) 20.911 1.233 ( -23.179 14.505 7.607) 28.382 1.652 ( -30.087 11.541 -5.412) 32.676 1.926 ( 4.142 -3.331 9.976) 11.304 1.953 ( 7.293 -1.087 2.086) 7.663 2.023 ( 4.715 5.407 9.557) 11.950 2.083 ( 3.699 2.897 6.676) 8.164 2.209 ( 3.457 1.075 3.260) 4.872 2.294 ( 1.601 2.551 -2.850) 4.146 2.377 ( 4.534 1.431 -3.069) 5.659 2.510 ( -6.225 4.883 -7.823) 11.126 2.600 ( 2.578 1.685 -0.318) 3.096 2.780 ( 1.240 3.043 -2.744) 4.281 2.836 ( -2.166 -0.121 2.319) 3.175 2.959 ( 6.855 -4.843 -2.918) 8.886 3.018 ( 1.354 -0.183 -0.647) 1.511 3.139 ( 4.795 0.149 -6.948) 8.443 3.271 ( -3.837 6.975 0.398) 7.971 3.388 ( 6.308 -2.087 -2.720) 7.180 3.404 ( -2.958 -3.509 -1.450) 4.813 3.584 ( -3.403 1.517 1.227) 3.923 3.705 ( 1.664 4.464 0.367) 4.778 3.730 ( -1.683 1.830 -1.428) 2.867 3.961 ( 7.690 5.282 -2.052) 9.552 4.044 ( 1.953 -6.114 -2.906) 7.046 4.089 ( 0.640 -2.833 -2.109) 3.589 4.129 ( -1.768 -3.514 3.732) 5.422 4.220 ( 3.304 1.063 1.809) 3.914 4.254 ( -3.584 -5.291 -6.833) 9.356 4.389 ( 1.104 2.646 -0.365) 2.890 4.456 ( -0.010 -3.461 1.640) 3.830 4.515 ( -0.171 0.591 3.711) 3.762 4.657 ( 1.925 -2.696 1.637) 3.695 4.718 ( -3.868 -0.242 -0.256) 3.884 4.802 ( 0.907 1.395 2.602) 3.089 4.883 ( 2.538 0.782 0.007) 2.656 5.034 ( 0.718 5.856 -0.725) 5.944 5.067 ( 0.287 4.433 1.311) 4.632 5.438 ( -3.498 -1.687 0.329) 3.897 5.584 ( 7.814 -1.685 2.368) 8.336 5.691 ( -1.545 -1.700 6.417) 6.816 5.790 ( -4.854 -3.161 -5.795) 8.194 5.867 ( 4.604 1.002 6.393) 7.942 6.041 ( 3.435 -3.367 -1.838) 5.149 6.150 ( -0.370 -4.728 -0.277) 4.751 6.241 ( -0.550 -2.494 2.305) 3.440 6.334 ( 2.134 -4.826 0.015) 5.277 6.408 ( -3.616 -4.568 -5.610) 8.088 6.482 ( 2.809 -0.196 3.702) 4.651 6.637 ( -2.998 1.167 1.131) 3.410 6.742 ( -0.249 3.747 0.516) 3.791 6.840 ( -1.334 5.721 -0.622) 5.907 6.870 ( 0.970 -1.838 -3.963) 4.475 7.001 ( 0.244 -0.161 -4.119) 4.129 7.048 ( -3.106 -2.138 -2.589) 4.574 7.139 ( 1.660 -2.177 -3.050) 4.099 7.286 ( -3.179 2.623 1.025) 4.248 7.367 ( -0.272 1.276 -1.607) 2.070 7.524 ( -1.249 -1.454 -0.108) 1.920 7.591 ( -0.648 -1.145 1.906) 2.316 7.625 ( -0.940 0.498 3.587) 3.742 7.728 ( -1.153 2.436 1.304) 2.994 7.784 ( 1.566 3.081 -0.597) 3.508 7.946 ( -0.108 1.788 -2.267) 2.889 8.011 ( 0.131 -3.303 0.726) 3.384 8.097 ( 0.988 -1.941 1.230) 2.501 8.112 ( -0.508 0.762 0.090) 0.920 8.204 ( 0.686 -0.107 0.054) 0.697 8.242 ( 2.278 -1.228 -0.308) 2.606 8.326 ( 0.520 -0.498 2.090) 2.211 8.391 ( 0.615 -2.854 -1.153) 3.139 8.515 ( 0.633 0.816 -2.450) 2.658 8.545 ( 1.162 -0.578 1.124) 1.717 8.628 ( 0.515 -0.526 -0.678) 1.001 8.701 ( -0.417 -1.370 1.131) 1.825 8.749 ( -0.395 0.812 -3.617) 3.728 9.062 ( -2.790 2.600 1.646) 4.154 9.095 ( 1.282 0.823 3.525) 3.840 9.409 ( -0.006 -1.118 -0.642) 1.289 9.425 ( -0.853 -0.600 -1.800) 2.080 12.795 ( -0.147 7.308 0.048) 7.310 12.848 ( 3.563 11.489 -0.134) 12.030 14.271 ( -4.525 -2.945 2.420) 5.916 14.714 ( 6.248 -12.973 -2.891) 14.687 17.021 ( -3.621 -0.475 0.221) 3.659 17.048 ( -2.686 -0.163 1.038) 2.884 17.065 ( -3.315 0.914 4.532) 5.689 17.149 ( -4.286 0.521 1.250) 4.495 17.314 ( 2.919 -3.240 0.035) 4.361 17.330 ( 2.665 -2.862 -0.514) 3.944 17.463 ( 0.583 2.594 -2.078) 3.374 17.555 ( -1.486 2.084 -4.087) 4.823 17.755 ( -3.190 1.971 -0.832) 3.841 17.863 ( 2.357 -2.764 3.289) 4.900 17.954 ( 2.539 1.567 -0.339) 3.002 18.054 ( 4.310 -1.801 2.120) 5.130 18.097 ( -2.039 -4.920 -3.289) 6.259 18.167 ( -1.207 -3.237 -1.272) 3.681 18.200 ( -0.005 -0.369 0.323) 0.491 18.286 ( 0.890 -3.072 0.434) 3.228 18.834 ( -3.984 0.765 -0.362) 4.073 18.857 ( -3.086 0.374 0.133) 3.111 18.969 ( 4.393 -0.950 1.292) 4.676 19.095 ( 6.122 3.720 -3.815) 8.117 19.567 ( -3.358 1.842 0.553) 3.870 19.786 ( 4.827 -2.491 2.070) 5.813 19.829 ( -1.385 -3.516 1.630) 4.115 19.982 ( 3.045 -2.134 -1.681) 4.081 ======================= Grid point 74 (32/80) ======================= q-point: (-0.17 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.644 ( -20.467 9.080 3.422) 22.651 0.754 ( -19.926 14.771 3.987) 25.122 1.210 ( -22.092 26.744 19.060) 39.580 1.884 ( -3.578 -5.572 -9.807) 11.834 1.974 ( -0.612 -2.283 0.316) 2.384 2.188 ( 3.193 2.267 4.925) 6.292 2.208 ( 1.310 5.176 -0.180) 5.342 2.269 ( -1.680 3.523 4.278) 5.791 2.332 ( -2.848 4.185 -4.010) 6.458 2.408 ( 4.242 0.795 5.158) 6.726 2.537 ( 7.542 7.412 -2.322) 10.826 2.626 ( 0.445 5.302 -1.892) 5.647 2.813 ( -0.574 0.701 5.885) 5.955 2.851 ( 3.450 0.861 0.347) 3.573 2.909 ( -4.974 5.485 -0.133) 7.406 3.086 ( 4.880 -2.698 -6.889) 8.863 3.204 ( -2.374 -4.186 4.175) 6.371 3.261 ( 5.579 5.123 -3.664) 8.414 3.300 ( 2.926 0.064 -4.935) 5.738 3.393 ( -3.919 -3.649 -3.748) 6.536 3.555 ( 0.484 -6.052 4.970) 7.846 3.664 ( -2.089 6.870 -3.056) 7.803 3.774 ( 0.978 6.641 1.068) 6.798 4.014 ( 0.232 0.252 -6.893) 6.901 4.066 ( 2.301 -2.440 -5.177) 6.168 4.075 ( -1.266 -5.420 0.784) 5.620 4.128 ( 7.138 1.150 -3.126) 7.877 4.192 ( 2.913 0.073 -2.512) 3.847 4.265 ( 0.131 -0.303 2.296) 2.320 4.388 ( -1.462 0.893 -1.856) 2.525 4.483 ( 1.117 -5.855 3.297) 6.811 4.551 ( -0.630 0.311 2.604) 2.697 4.649 ( 0.256 -0.618 -5.044) 5.089 4.684 ( 1.228 1.267 -0.763) 1.922 4.880 ( -0.715 0.734 3.762) 3.899 4.935 ( -0.991 -3.036 2.477) 4.042 5.007 ( 1.614 3.494 0.375) 3.867 5.150 ( 1.821 2.199 -1.771) 3.360 5.389 ( -0.364 -5.134 5.958) 7.873 5.582 ( -3.869 -2.539 -0.804) 4.697 5.701 ( -0.699 -2.635 1.779) 3.255 5.843 ( 5.129 -1.335 6.326) 8.253 5.939 ( 1.026 -2.101 -0.893) 2.503 6.113 ( -2.094 -4.831 -1.066) 5.372 6.140 ( 3.034 -1.566 3.906) 5.188 6.223 ( -1.170 -2.769 -2.516) 3.920 6.239 ( 0.445 -5.157 -1.945) 5.529 6.481 ( 2.973 -5.612 4.073) 7.544 6.563 ( 0.532 4.454 -4.363) 6.258 6.589 ( 0.544 1.098 4.263) 4.435 6.743 ( -3.608 6.141 2.973) 7.718 6.835 ( 0.422 -4.564 -5.244) 6.965 6.903 ( 4.747 3.528 7.206) 9.322 6.945 ( -1.717 1.856 -2.834) 3.797 6.982 ( 0.815 -0.222 -1.528) 1.746 7.121 ( -0.138 -0.964 0.181) 0.990 7.235 ( -1.088 0.867 -1.935) 2.383 7.371 ( 0.491 2.538 -0.030) 2.585 7.492 ( -1.352 -2.850 -0.266) 3.166 7.584 ( -3.317 -2.980 3.602) 5.732 7.655 ( 1.195 0.277 2.082) 2.416 7.713 ( -1.770 2.105 1.841) 3.310 7.810 ( 2.015 2.024 -0.959) 3.012 7.908 ( -1.289 3.905 -1.996) 4.571 8.018 ( 0.172 -3.800 -0.357) 3.821 8.069 ( -1.611 -0.341 0.816) 1.837 8.167 ( 1.815 -3.367 -0.265) 3.834 8.217 ( 1.111 -2.191 0.016) 2.457 8.292 ( 2.185 0.345 0.505) 2.269 8.363 ( 0.768 -1.014 1.846) 2.241 8.375 ( 0.027 -1.479 -3.617) 3.908 8.474 ( -2.776 1.266 -0.200) 3.058 8.562 ( 1.630 -2.799 -2.703) 4.219 8.636 ( -2.118 -0.208 -1.099) 2.395 8.697 ( 1.346 -0.602 2.473) 2.879 8.750 ( 1.503 0.371 0.408) 1.601 9.010 ( -2.517 3.570 -0.879) 4.455 9.137 ( -0.316 0.989 0.894) 1.370 9.364 ( -0.874 -0.960 -0.702) 1.476 9.441 ( 0.687 -0.922 1.234) 1.686 12.790 ( -0.164 7.141 0.006) 7.143 12.979 ( 11.944 15.657 -3.999) 20.095 14.214 ( -3.347 -2.645 2.217) 4.807 14.679 ( -5.767 -15.108 -9.361) 18.686 16.957 ( -1.204 2.657 -0.338) 2.936 17.003 ( -1.950 0.669 -0.182) 2.070 17.060 ( -3.037 1.309 4.203) 5.348 17.107 ( -2.275 1.711 4.212) 5.084 17.336 ( 0.201 -1.061 -3.117) 3.299 17.426 ( -1.586 1.366 -1.234) 2.430 17.457 ( 1.787 -0.107 0.975) 2.038 17.545 ( 5.971 0.415 4.671) 7.592 17.678 ( -3.396 1.073 -3.990) 5.348 17.880 ( -0.709 -1.192 0.673) 1.542 18.004 ( -2.887 -6.816 -1.780) 7.614 18.044 ( 3.915 -0.650 0.182) 3.972 18.126 ( 1.100 -2.348 0.730) 2.694 18.145 ( -0.581 -2.004 0.831) 2.245 18.201 ( 0.885 -0.431 -1.621) 1.897 18.304 ( 0.428 -2.607 0.445) 2.679 18.777 ( -1.910 1.184 -0.267) 2.263 18.806 ( -1.649 0.470 -0.388) 1.758 19.064 ( 2.641 -2.086 2.839) 4.403 19.161 ( 7.303 6.688 -3.794) 10.604 19.531 ( -1.466 -0.828 0.602) 1.788 19.791 ( -4.963 -3.897 2.763) 6.889 19.861 ( 1.285 -4.124 -0.574) 4.358 20.033 ( 3.457 -3.394 -1.699) 5.133 ======================= Grid point 75 (33/80) ======================= q-point: ( 0.00 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( 6.411 18.566 13.920) 24.074 1.192 ( 9.867 26.412 -2.072) 28.271 1.645 ( -2.697 -0.872 -10.462) 10.839 1.692 ( -10.037 26.737 19.921) 34.820 2.021 ( 0.883 3.112 -1.959) 3.782 2.149 ( -4.880 0.871 -9.473) 10.691 2.221 ( -4.838 0.355 0.756) 4.910 2.305 ( -0.843 1.946 3.801) 4.352 2.376 ( 0.669 4.073 0.762) 4.198 2.554 ( -0.294 6.000 6.278) 8.689 2.705 ( -1.629 8.492 -1.223) 8.733 2.825 ( -1.761 5.605 -2.881) 6.543 2.881 ( -1.426 3.603 -2.761) 4.758 2.962 ( -0.221 2.570 2.428) 3.542 3.014 ( 2.321 -6.428 -0.083) 6.835 3.066 ( -2.684 7.429 0.706) 7.931 3.137 ( 0.413 -1.179 -0.648) 1.407 3.190 ( 5.792 1.872 0.715) 6.128 3.383 ( 5.946 2.369 -6.518) 9.136 3.439 ( -5.041 -8.222 5.140) 10.928 3.536 ( 4.358 7.838 -3.259) 9.542 3.677 ( 0.942 -2.762 -6.846) 7.442 3.843 ( 3.199 -4.433 -1.454) 5.657 3.926 ( 1.502 5.740 1.980) 6.255 3.974 ( -1.491 0.229 -1.061) 1.845 4.073 ( 1.456 -4.662 0.380) 4.899 4.170 ( -2.127 -2.863 -3.286) 4.850 4.199 ( -0.869 -4.199 -0.114) 4.289 4.212 ( -2.178 -2.709 1.645) 3.845 4.346 ( 0.900 1.864 -1.326) 2.458 4.431 ( 0.198 -1.743 0.560) 1.841 4.503 ( -2.278 -2.175 -0.928) 3.284 4.619 ( -0.550 -0.140 -0.311) 0.648 4.657 ( 2.448 -3.864 0.379) 4.590 4.882 ( -3.238 0.878 -0.266) 3.365 4.921 ( -0.039 0.549 -0.193) 0.583 5.105 ( -0.190 0.941 1.231) 1.561 5.156 ( -0.875 0.418 0.336) 1.026 5.316 ( 1.030 -4.445 3.776) 5.922 5.536 ( 1.997 -3.827 1.306) 4.509 5.613 ( -0.315 -4.713 1.644) 5.002 5.821 ( -0.557 -7.689 -3.660) 8.534 5.849 ( -2.465 -4.362 0.393) 5.026 6.000 ( 1.530 -3.809 3.669) 5.505 6.047 ( -1.109 -4.146 -0.221) 4.298 6.192 ( 6.828 -8.024 11.773) 15.799 6.290 ( 1.326 -2.431 2.475) 3.714 6.414 ( 0.161 -5.458 1.971) 5.805 6.552 ( -3.049 3.304 -4.338) 6.248 6.630 ( -3.147 -1.165 -4.484) 5.601 6.774 ( 0.145 5.773 -4.660) 7.420 6.805 ( 1.804 1.769 -0.192) 2.534 6.927 ( -1.574 -1.832 0.334) 2.438 6.959 ( 0.460 0.971 -0.956) 1.438 7.047 ( 1.348 1.220 0.092) 1.820 7.174 ( 3.981 1.245 3.762) 5.617 7.240 ( 0.191 1.495 -5.908) 6.097 7.393 ( -3.410 -1.036 -0.560) 3.608 7.460 ( 2.017 0.931 1.519) 2.691 7.507 ( -1.687 0.174 3.969) 4.316 7.676 ( -0.511 -1.548 1.589) 2.277 7.761 ( -1.288 2.756 1.696) 3.483 7.854 ( 1.315 1.333 -1.646) 2.493 7.930 ( -2.393 0.362 -1.386) 2.789 7.949 ( 2.380 -3.090 -0.048) 3.900 8.036 ( 0.375 0.190 0.088) 0.430 8.144 ( 2.286 -3.607 -0.057) 4.271 8.163 ( 0.570 -1.711 0.496) 1.871 8.272 ( -3.539 -2.630 0.945) 4.509 8.335 ( 0.553 1.360 -1.770) 2.300 8.435 ( 1.949 1.776 -0.829) 2.764 8.456 ( -1.539 0.160 0.748) 1.718 8.523 ( 1.657 -1.480 -1.129) 2.492 8.567 ( -0.750 -0.787 -1.798) 2.101 8.701 ( -1.650 -1.384 3.928) 4.480 8.804 ( 1.980 -0.080 0.562) 2.059 9.064 ( -0.140 4.567 -1.777) 4.902 9.124 ( -2.141 2.315 -3.075) 4.404 9.357 ( 1.391 -1.861 2.313) 3.278 9.425 ( -0.312 -1.719 0.376) 1.788 12.998 ( 0.263 11.998 1.275) 12.068 13.262 ( 0.222 7.583 -7.298) 10.527 14.116 ( -0.492 -5.443 2.375) 5.959 14.330 ( 0.803 -9.823 -2.792) 10.244 17.000 ( 0.295 1.686 1.148) 2.061 17.058 ( 0.300 2.336 2.004) 3.093 17.085 ( -1.663 2.341 3.191) 4.293 17.126 ( -1.548 0.233 3.664) 3.985 17.308 ( -2.935 3.473 -4.326) 6.276 17.347 ( -5.061 3.782 -5.033) 8.078 17.508 ( 2.279 1.679 0.208) 2.838 17.606 ( -1.979 2.379 -4.449) 5.420 17.722 ( 4.749 -1.289 5.925) 7.702 17.803 ( -2.813 -5.495 3.294) 6.997 17.951 ( 5.599 -2.375 -2.968) 6.768 17.977 ( -0.148 -5.622 0.400) 5.638 18.123 ( -0.955 -0.063 0.003) 0.957 18.146 ( 0.772 0.431 0.063) 0.886 18.169 ( 0.707 -2.045 -1.449) 2.605 18.268 ( 0.105 -1.434 -0.725) 1.610 18.796 ( 0.992 1.674 -0.219) 1.958 18.806 ( -0.262 0.970 -0.264) 1.039 19.032 ( -1.852 -3.790 2.266) 4.789 19.257 ( 3.616 -6.083 -3.328) 7.821 19.517 ( 0.867 2.688 2.444) 3.735 19.705 ( -2.528 -6.277 -2.507) 7.217 19.733 ( -0.840 -2.034 4.743) 5.229 19.952 ( 0.830 -5.870 -1.413) 6.094 ======================= Grid point 76 (34/80) ======================= q-point: ( 0.17 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( 9.670 17.986 8.493) 22.117 1.449 ( 7.196 17.340 8.939) 20.793 1.517 ( 2.226 5.372 -9.288) 10.958 1.744 ( -4.155 6.926 -11.440) 14.004 1.869 ( 6.802 14.481 12.445) 20.269 2.025 ( -7.714 2.364 -4.154) 9.075 2.167 ( -1.616 1.189 -0.071) 2.008 2.312 ( -5.444 4.190 5.999) 9.120 2.461 ( 4.952 3.838 3.607) 7.229 2.587 ( -2.312 10.154 7.615) 12.901 2.671 ( -10.003 1.406 -1.676) 10.240 2.728 ( -3.403 0.405 5.100) 6.144 2.822 ( 3.576 1.255 -6.731) 7.725 2.883 ( -1.711 -0.388 0.837) 1.944 3.004 ( -2.860 -1.915 0.709) 3.514 3.074 ( 0.689 6.751 -3.337) 7.562 3.214 ( 5.270 0.863 0.851) 5.408 3.250 ( -5.772 -5.945 0.867) 8.331 3.357 ( 5.548 3.526 -2.776) 7.136 3.412 ( 2.725 4.823 -5.121) 7.544 3.621 ( 4.749 -0.571 -6.420) 8.006 3.660 ( -0.735 -0.107 -1.409) 1.593 3.883 ( -6.220 -1.971 -3.503) 7.405 3.927 ( 5.072 2.442 -1.086) 5.733 3.966 ( -0.408 -0.215 5.090) 5.111 4.017 ( -1.138 -1.617 -3.251) 3.805 4.095 ( -6.343 -3.427 -3.004) 7.810 4.143 ( 1.286 -6.359 1.592) 6.680 4.281 ( 2.829 2.709 6.879) 7.916 4.376 ( 0.482 -2.757 2.187) 3.552 4.408 ( -0.668 -1.820 -3.564) 4.058 4.466 ( -1.355 -2.725 -1.197) 3.270 4.585 ( -0.911 0.350 -3.301) 3.443 4.718 ( 1.912 0.573 -0.201) 2.006 4.815 ( -2.221 1.256 0.476) 2.596 4.932 ( 0.214 -0.014 2.146) 2.157 5.067 ( -2.492 -1.446 0.083) 2.883 5.224 ( 4.217 0.458 3.688) 5.621 5.390 ( 2.728 -3.774 3.559) 5.861 5.498 ( -3.590 -5.848 -4.571) 8.245 5.594 ( -1.221 1.956 0.156) 2.311 5.811 ( -0.122 -1.097 -2.043) 2.322 5.882 ( 0.172 -11.060 6.369) 12.764 5.988 ( -0.602 -6.521 -1.812) 6.795 6.034 ( -4.076 -3.567 3.558) 6.480 6.227 ( -6.586 -0.183 -0.736) 6.629 6.408 ( -0.101 0.982 -1.123) 1.496 6.421 ( 1.010 0.901 -2.291) 2.660 6.475 ( 1.387 -3.879 6.396) 7.608 6.598 ( 0.909 -6.838 3.258) 7.629 6.741 ( 1.330 4.804 -2.597) 5.621 6.823 ( 0.772 0.050 -2.876) 2.979 6.902 ( -0.883 -7.793 -0.910) 7.896 6.959 ( 0.560 2.121 0.074) 2.195 7.088 ( 3.080 2.522 0.874) 4.076 7.153 ( -2.830 1.013 -8.436) 8.956 7.278 ( 2.415 0.868 4.266) 4.978 7.337 ( 0.185 -1.163 -1.292) 1.748 7.526 ( 2.003 -1.946 1.610) 3.224 7.546 ( 1.247 2.148 2.885) 3.807 7.660 ( -1.920 -1.618 0.721) 2.613 7.745 ( -2.043 1.875 1.395) 3.104 7.851 ( 0.265 2.547 -2.580) 3.635 7.903 ( 1.030 -0.636 -0.552) 1.330 8.003 ( 2.287 -1.674 0.366) 2.858 8.053 ( 1.328 1.200 -0.105) 1.793 8.152 ( -3.484 -0.875 0.138) 3.594 8.195 ( 1.361 -1.631 0.348) 2.153 8.212 ( 0.473 -3.630 0.582) 3.706 8.308 ( -1.738 2.673 -0.832) 3.295 8.419 ( -2.716 0.035 -0.160) 2.721 8.464 ( 1.147 1.454 -1.806) 2.587 8.533 ( 2.030 -0.362 -0.633) 2.157 8.592 ( 2.739 -2.230 0.050) 3.532 8.696 ( -2.168 -1.259 2.558) 3.582 8.835 ( 0.396 -0.876 0.643) 1.157 9.055 ( -0.117 3.074 -1.360) 3.363 9.060 ( -0.353 3.865 -1.711) 4.242 9.402 ( 0.243 -2.124 1.019) 2.368 9.420 ( 0.415 -2.038 0.395) 2.117 13.014 ( -0.538 12.185 1.317) 12.268 13.146 ( -3.472 11.624 -4.552) 12.957 14.150 ( 1.015 -6.061 2.545) 6.652 14.344 ( 3.152 -10.815 -4.157) 12.007 17.000 ( -1.387 -0.403 1.179) 1.864 17.048 ( -3.841 1.237 -0.756) 4.106 17.080 ( -2.142 0.855 5.204) 5.692 17.131 ( -0.813 1.108 4.954) 5.141 17.255 ( 1.538 2.947 -3.716) 4.986 17.323 ( 5.642 2.729 0.746) 6.312 17.519 ( -1.190 1.412 -2.361) 2.997 17.553 ( 0.935 3.691 -3.045) 4.875 17.761 ( -3.538 -5.532 2.143) 6.907 17.793 ( -1.503 -4.755 1.423) 5.185 17.994 ( 0.590 -1.985 0.420) 2.113 18.018 ( 2.979 -0.882 -2.508) 3.993 18.087 ( -1.353 -1.449 0.140) 1.988 18.142 ( -1.145 -0.919 0.891) 1.718 18.179 ( 1.090 -1.475 -0.887) 2.038 18.257 ( -0.112 -1.217 -1.434) 1.884 18.804 ( 0.832 0.898 -0.616) 1.370 18.831 ( 2.390 1.371 0.099) 2.757 18.993 ( -3.757 -3.484 1.633) 5.378 19.233 ( -2.621 -5.305 -2.675) 6.494 19.565 ( -0.535 -2.508 -0.555) 2.624 19.673 ( 3.223 0.619 0.669) 3.349 19.752 ( -2.307 -5.019 2.833) 6.207 19.957 ( 1.314 -3.282 -1.117) 3.707 ======================= Grid point 77 (35/80) ======================= q-point: ( 0.33 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( 7.864 5.091 -8.746) 12.816 1.514 ( 3.145 15.991 2.636) 16.509 1.639 ( 5.614 4.081 -6.361) 9.415 1.709 ( 2.114 15.847 14.000) 21.251 1.839 ( -0.376 1.482 -4.754) 4.994 2.086 ( -5.681 5.400 3.575) 8.614 2.191 ( -7.259 3.509 4.015) 9.007 2.207 ( 1.070 6.245 7.166) 9.565 2.434 ( -12.591 -5.834 5.357) 14.875 2.563 ( 4.202 3.152 -0.997) 5.347 2.670 ( -3.510 -0.069 -4.377) 5.611 2.751 ( 6.286 3.361 10.871) 13.000 2.826 ( 1.951 1.215 -0.792) 2.431 2.889 ( -5.671 -4.143 1.535) 7.189 3.006 ( 3.902 8.099 -5.710) 10.650 3.034 ( 4.989 0.938 2.726) 5.762 3.166 ( -5.920 1.975 -2.017) 6.558 3.286 ( 1.966 -0.286 -2.274) 3.020 3.410 ( 3.606 4.173 -7.595) 9.386 3.421 ( 1.018 4.673 0.295) 4.791 3.539 ( -2.045 -5.865 -8.751) 10.731 3.611 ( -3.126 8.508 1.525) 9.191 3.781 ( 2.440 -3.376 -2.739) 4.985 3.920 ( -3.515 0.266 -2.009) 4.057 3.966 ( 0.223 -3.648 -1.861) 4.101 4.036 ( -2.031 -0.063 6.160) 6.486 4.090 ( 6.054 2.372 2.795) 7.077 4.165 ( -1.023 -7.485 -0.263) 7.560 4.305 ( -3.796 -1.683 -3.913) 5.706 4.363 ( -0.103 2.536 0.576) 2.602 4.410 ( -2.326 -2.550 -0.949) 3.580 4.456 ( 3.283 -2.850 4.846) 6.510 4.536 ( -0.242 -0.793 -2.820) 2.939 4.757 ( 2.721 3.843 0.872) 4.789 4.800 ( -1.007 -0.518 2.039) 2.332 4.944 ( -1.386 1.440 0.493) 2.058 5.053 ( -0.746 -0.514 3.630) 3.741 5.336 ( 2.333 0.742 0.514) 2.501 5.392 ( -2.940 -2.218 -1.866) 4.129 5.491 ( 3.450 -4.267 1.957) 5.826 5.529 ( -1.071 1.588 -2.886) 3.464 5.769 ( -2.064 3.105 -1.436) 3.995 5.938 ( 0.676 -7.774 0.630) 7.828 5.972 ( -4.139 -8.176 5.815) 10.853 5.983 ( -0.154 -4.815 -0.337) 4.830 6.120 ( -4.880 0.620 3.672) 6.139 6.264 ( -3.463 -0.258 -6.557) 7.420 6.443 ( -0.235 -2.495 -0.646) 2.588 6.519 ( -0.407 -0.079 -3.101) 3.128 6.714 ( 4.216 -3.287 3.391) 6.331 6.769 ( 1.984 -0.328 2.351) 3.094 6.800 ( -0.039 1.054 -3.876) 4.017 6.890 ( -0.399 -9.432 2.532) 9.774 6.979 ( -0.399 -0.367 -1.568) 1.659 7.006 ( -0.658 1.561 -5.888) 6.127 7.161 ( 2.021 3.439 1.564) 4.285 7.335 ( 2.793 2.234 -2.215) 4.207 7.381 ( 1.392 -2.906 4.690) 5.690 7.548 ( -0.420 -1.947 0.007) 1.992 7.571 ( 0.408 3.045 -1.963) 3.646 7.637 ( -1.915 -0.943 2.661) 3.411 7.722 ( -2.067 0.869 2.834) 3.614 7.830 ( 0.458 2.954 -1.949) 3.568 7.937 ( 2.562 0.074 -0.937) 2.729 8.024 ( -0.543 -1.989 -1.144) 2.358 8.032 ( -2.136 -1.558 -0.382) 2.672 8.132 ( 2.827 2.487 -0.022) 3.766 8.232 ( 2.070 -1.457 0.296) 2.549 8.247 ( -0.284 0.101 0.166) 0.344 8.273 ( -0.550 0.270 0.841) 1.040 8.343 ( -4.190 0.210 -0.153) 4.198 8.462 ( 0.397 1.269 -0.770) 1.536 8.566 ( 1.723 -0.828 -1.962) 2.739 8.632 ( 0.447 -1.828 0.261) 1.900 8.683 ( -0.156 -0.321 0.365) 0.510 8.830 ( -0.936 -1.230 -0.471) 1.616 9.038 ( 0.444 2.870 -0.024) 2.905 9.082 ( 0.874 2.923 2.043) 3.672 9.390 ( -0.476 -1.722 -0.811) 1.962 9.442 ( 0.454 -2.443 0.237) 2.496 12.994 ( -1.410 11.627 0.005) 11.712 13.085 ( -0.778 13.469 -0.832) 13.517 14.189 ( 0.392 -7.679 2.132) 7.979 14.360 ( 2.500 -9.908 -3.002) 10.651 16.984 ( -0.265 -2.218 -0.140) 2.238 17.016 ( 0.995 -2.689 -0.346) 2.888 17.082 ( -3.305 0.158 5.765) 6.647 17.136 ( -2.104 -0.516 3.019) 3.716 17.322 ( 4.630 2.090 0.698) 5.128 17.432 ( -1.450 1.566 0.945) 2.334 17.448 ( -2.125 0.856 -0.574) 2.362 17.565 ( 4.619 0.827 -0.998) 4.798 17.702 ( -2.500 -6.748 -1.996) 7.468 17.766 ( 0.268 -2.992 -1.425) 3.325 17.960 ( -2.258 0.803 -1.208) 2.684 18.010 ( -1.466 0.663 -0.227) 1.625 18.102 ( 1.500 -3.178 -0.234) 3.522 18.143 ( 0.154 -2.413 0.896) 2.578 18.186 ( 0.319 0.455 -0.563) 0.791 18.238 ( -0.189 -0.341 -1.615) 1.661 18.822 ( 1.665 -0.506 -0.649) 1.857 18.886 ( 2.062 -0.462 0.466) 2.164 18.947 ( -1.085 -0.649 0.974) 1.596 19.122 ( -5.657 -2.105 -2.529) 6.545 19.543 ( 0.711 -4.343 -0.787) 4.470 19.715 ( -3.073 -6.801 2.147) 7.766 19.765 ( 2.443 4.557 1.972) 5.534 19.962 ( 0.424 -0.963 -1.891) 2.164 ======================= Grid point 78 (36/80) ======================= q-point: (-0.50 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( -10.319 10.575 -4.174) 15.354 1.608 ( 13.195 -0.567 0.336) 13.211 1.765 ( 9.197 0.847 -3.375) 9.834 1.843 ( -5.941 13.833 9.095) 17.589 1.970 ( 7.612 13.336 4.069) 15.885 2.027 ( -5.641 7.257 10.325) 13.824 2.068 ( -0.496 3.226 8.704) 9.296 2.264 ( -2.290 -3.656 0.268) 4.322 2.299 ( -6.425 -5.181 6.617) 10.578 2.546 ( -2.058 -0.853 -4.606) 5.116 2.599 ( 0.295 2.898 -6.736) 7.339 2.674 ( -9.411 3.397 -6.996) 12.208 2.784 ( -5.306 -2.751 -0.967) 6.054 2.912 ( -1.800 2.604 -3.948) 5.060 2.972 ( 1.990 0.031 1.255) 2.353 3.045 ( 3.135 3.186 -4.046) 6.029 3.201 ( -2.160 8.141 -1.740) 8.600 3.271 ( 1.645 1.917 -2.934) 3.872 3.404 ( 2.863 1.780 -0.657) 3.435 3.462 ( 1.822 2.184 1.398) 3.169 3.523 ( 9.063 -3.005 -0.884) 9.589 3.648 ( 2.105 8.000 4.719) 9.524 3.799 ( -1.432 -4.154 -0.105) 4.395 3.898 ( 1.657 -1.363 -1.078) 2.401 3.985 ( -3.704 -1.846 -3.292) 5.288 4.020 ( 3.974 -0.836 2.054) 4.550 4.120 ( -1.055 -2.009 0.391) 2.303 4.185 ( -1.253 -4.706 2.400) 5.429 4.241 ( 2.073 6.222 -2.558) 7.039 4.364 ( -0.878 -1.808 1.331) 2.411 4.378 ( 0.381 -1.051 -0.292) 1.156 4.527 ( -1.719 -2.977 5.590) 6.562 4.537 ( 2.809 -0.251 -1.534) 3.210 4.803 ( -0.030 1.052 0.949) 1.417 4.815 ( -0.554 -0.559 1.486) 1.681 4.891 ( -2.609 1.069 -1.098) 3.026 5.099 ( 0.515 2.226 5.787) 6.221 5.254 ( -3.611 5.926 -6.774) 9.698 5.369 ( 2.166 -0.322 0.844) 2.347 5.522 ( -3.007 -5.571 -0.977) 6.405 5.585 ( 4.253 -1.322 2.949) 5.342 5.767 ( 2.796 2.934 1.718) 4.402 5.863 ( -6.042 -7.736 -1.919) 10.002 5.937 ( -2.165 -5.754 -1.061) 6.238 6.006 ( 1.330 -5.070 1.482) 5.447 6.116 ( -1.548 -2.407 4.220) 5.099 6.278 ( 7.165 0.529 4.862) 8.675 6.348 ( -1.965 -5.220 -11.963) 13.199 6.489 ( -1.679 -0.059 -0.794) 1.859 6.653 ( -4.298 -3.981 -7.055) 9.171 6.813 ( 0.177 1.377 3.685) 3.938 6.855 ( 2.621 -1.713 -0.157) 3.135 6.927 ( 0.222 1.768 0.567) 1.870 6.939 ( 1.173 -4.066 3.158) 5.280 7.023 ( 2.836 -1.293 -3.113) 4.405 7.168 ( -1.487 4.173 -0.769) 4.497 7.359 ( 0.885 3.102 -1.586) 3.595 7.429 ( -1.358 -4.110 4.643) 6.347 7.530 ( -1.234 3.046 -3.875) 5.081 7.549 ( 1.008 -1.143 0.448) 1.589 7.634 ( -1.615 0.519 3.110) 3.543 7.735 ( 0.090 -0.390 3.591) 3.613 7.834 ( 1.239 3.236 -1.039) 3.618 7.964 ( 0.489 -2.667 -0.586) 2.774 7.978 ( 0.071 0.194 -2.402) 2.411 8.023 ( -0.155 -0.480 -0.494) 0.706 8.192 ( 1.738 2.828 1.415) 3.608 8.200 ( -1.801 1.025 -0.962) 2.285 8.239 ( -2.486 -0.241 -1.755) 3.053 8.291 ( 1.631 -0.124 1.454) 2.189 8.311 ( 0.237 -2.518 0.917) 2.690 8.476 ( 1.794 0.379 -0.820) 2.008 8.561 ( 0.252 -0.919 -1.280) 1.596 8.618 ( -1.206 -0.960 -0.258) 1.563 8.687 ( 0.187 -0.078 -0.758) 0.785 8.795 ( -1.009 -1.209 -2.226) 2.727 9.067 ( 1.162 2.257 2.358) 3.465 9.119 ( -0.138 2.697 3.169) 4.164 9.379 ( 0.318 -1.530 -0.844) 1.776 9.435 ( -0.727 -2.222 -1.111) 2.588 12.988 ( 0.401 11.622 0.813) 11.657 13.070 ( 0.175 13.404 -1.073) 13.448 14.205 ( -1.295 -7.669 2.328) 8.118 14.385 ( 2.689 -11.186 -1.734) 11.634 17.000 ( 1.181 -2.463 1.605) 3.168 17.048 ( 0.596 -2.812 1.455) 3.222 17.071 ( -3.301 -0.189 5.115) 6.091 17.137 ( -0.284 -1.529 2.139) 2.644 17.310 ( -3.313 -0.764 -4.144) 5.360 17.319 ( -4.134 -0.971 -2.830) 5.103 17.479 ( 2.791 1.539 0.659) 3.254 17.620 ( 0.347 -3.380 -4.299) 5.480 17.709 ( 3.581 -0.967 4.130) 5.551 17.782 ( 0.353 -2.298 1.548) 2.794 17.944 ( 1.750 0.903 0.537) 2.041 17.982 ( -1.124 1.095 -0.446) 1.631 18.104 ( -0.097 -1.735 -2.769) 3.269 18.141 ( -0.103 -2.839 -1.904) 3.420 18.186 ( 0.249 0.968 0.338) 1.055 18.222 ( -0.112 -0.805 -0.693) 1.068 18.855 ( 1.924 -1.661 0.134) 2.546 18.874 ( -2.429 -2.483 0.915) 3.592 18.992 ( -4.931 0.812 -1.696) 5.278 19.015 ( 6.109 0.607 -0.922) 6.208 19.586 ( 2.524 -3.504 2.432) 4.956 19.701 ( -1.143 -6.780 3.265) 7.611 19.764 ( -2.571 4.152 -1.387) 5.077 19.948 ( 0.752 -0.565 -2.608) 2.772 ======================= Grid point 79 (37/80) ======================= q-point: (-0.33 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( -8.630 13.917 -4.212) 16.908 1.522 ( -20.826 14.559 -4.133) 25.744 1.748 ( -0.046 -6.526 2.959) 7.166 1.941 ( 4.140 0.784 -1.444) 4.454 2.068 ( -10.589 18.611 7.911) 22.827 2.125 ( -0.820 2.471 7.234) 7.688 2.160 ( -2.124 1.187 2.400) 3.418 2.262 ( 3.482 4.912 10.547) 12.144 2.369 ( 4.260 4.055 1.679) 6.116 2.389 ( 10.549 2.394 -0.356) 10.823 2.577 ( -1.506 1.703 -0.985) 2.478 2.618 ( 2.004 0.908 0.935) 2.390 2.737 ( 6.621 -3.756 -4.624) 8.906 2.919 ( 1.613 4.838 2.135) 5.528 2.951 ( 0.427 1.019 -3.663) 3.826 3.063 ( 0.246 -4.149 -3.274) 5.291 3.114 ( -0.100 8.643 -3.949) 9.503 3.295 ( 0.304 -4.137 -0.806) 4.226 3.391 ( 0.011 2.256 -5.516) 5.960 3.485 ( 2.567 9.051 -2.601) 9.761 3.596 ( -8.717 0.729 2.053) 8.986 3.748 ( 3.741 -1.455 0.934) 4.121 3.829 ( 5.506 4.713 3.445) 8.025 3.905 ( -0.424 -3.295 0.292) 3.335 3.934 ( 4.097 -6.748 -4.784) 9.231 4.092 ( 0.288 3.668 -3.004) 4.750 4.113 ( -1.850 -5.801 -1.793) 6.348 4.152 ( 1.806 2.177 1.240) 3.088 4.250 ( -1.848 1.284 -0.638) 2.339 4.336 ( -3.221 -5.579 3.846) 7.502 4.426 ( 2.333 -0.053 0.616) 2.414 4.536 ( -0.698 0.763 4.828) 4.937 4.610 ( 3.594 -1.725 0.412) 4.007 4.732 ( -5.502 0.756 -1.886) 5.865 4.819 ( 0.655 -0.025 1.796) 1.912 4.884 ( 1.993 -1.125 -0.245) 2.302 5.140 ( -2.205 4.026 -0.279) 4.599 5.175 ( 0.483 5.828 1.497) 6.036 5.386 ( -5.257 -3.621 -1.222) 6.499 5.524 ( 7.182 -3.622 4.477) 9.206 5.642 ( -2.871 -3.217 1.930) 4.724 5.702 ( -4.403 -5.555 -4.775) 8.546 5.853 ( 0.999 -2.894 2.570) 3.997 5.931 ( 3.765 -5.701 -0.175) 6.834 6.053 ( 1.047 -3.922 2.936) 5.010 6.184 ( 1.972 -2.777 -0.984) 3.545 6.192 ( -0.253 -7.938 -6.610) 10.333 6.341 ( -4.563 -3.845 -9.321) 11.067 6.521 ( 8.317 1.875 7.236) 11.182 6.590 ( -0.842 -0.805 3.554) 3.740 6.779 ( -1.284 0.277 -4.525) 4.712 6.897 ( 0.700 2.927 1.902) 3.560 6.956 ( -0.137 0.298 -0.456) 0.562 6.967 ( -0.492 3.150 2.435) 4.012 7.039 ( 0.683 -1.647 -2.647) 3.191 7.122 ( 0.096 1.903 -3.591) 4.066 7.343 ( -0.903 0.340 1.239) 1.571 7.406 ( -4.235 4.468 -0.330) 6.165 7.487 ( -0.249 -1.550 0.236) 1.588 7.569 ( 0.078 -0.749 -0.288) 0.806 7.633 ( -1.224 0.164 2.396) 2.695 7.774 ( -0.896 1.157 3.417) 3.717 7.849 ( 1.720 2.610 -1.517) 3.474 7.931 ( -1.466 -3.238 -0.712) 3.625 7.991 ( 1.761 1.235 -1.574) 2.666 8.026 ( 1.430 -3.667 -0.463) 3.963 8.137 ( -3.803 1.456 -0.231) 4.079 8.178 ( -1.256 -1.540 -1.521) 2.502 8.249 ( 1.681 0.790 1.665) 2.494 8.311 ( 0.188 -1.095 1.515) 1.879 8.354 ( 2.964 0.036 -0.803) 3.072 8.491 ( 2.193 -1.904 -3.638) 4.655 8.553 ( -2.024 0.331 0.446) 2.099 8.617 ( 0.946 -0.560 2.758) 2.969 8.669 ( -1.743 -1.432 0.044) 2.256 8.760 ( 0.689 0.163 -3.483) 3.555 9.115 ( 0.014 1.839 2.232) 2.892 9.133 ( -0.208 3.259 2.208) 3.942 9.378 ( -0.797 -1.942 -0.946) 2.302 9.405 ( -0.057 -1.321 -0.885) 1.592 13.000 ( -0.384 12.100 0.139) 12.106 13.102 ( 4.876 12.236 -0.528) 13.182 14.177 ( -3.368 -6.333 1.390) 7.307 14.421 ( 1.821 -14.339 -1.454) 14.527 17.019 ( -2.277 0.263 -0.098) 2.294 17.048 ( 0.328 0.383 1.804) 1.873 17.077 ( -2.927 -0.086 5.983) 6.662 17.149 ( -3.065 -0.630 4.544) 5.517 17.255 ( 2.839 -1.895 -2.228) 4.076 17.284 ( 4.545 -1.666 -1.255) 5.001 17.509 ( 0.607 1.575 -1.506) 2.262 17.581 ( 0.134 -0.051 -4.283) 4.285 17.772 ( -2.344 -1.535 3.360) 4.375 17.806 ( -0.559 -2.161 3.837) 4.439 17.960 ( -0.003 -1.114 -1.426) 1.809 18.004 ( 2.385 0.169 -1.107) 2.635 18.063 ( 1.719 0.283 -4.710) 5.022 18.112 ( -0.020 -1.841 -2.439) 3.056 18.188 ( -0.650 -0.937 0.512) 1.250 18.235 ( 1.432 -1.172 0.592) 1.943 18.827 ( -2.148 -1.309 -0.470) 2.559 18.872 ( -2.135 0.262 0.251) 2.165 18.946 ( 1.898 -0.904 0.807) 2.252 19.119 ( 6.032 -1.206 -2.551) 6.659 19.613 ( -3.541 1.753 -0.063) 3.951 19.721 ( 1.159 -2.978 1.560) 3.556 19.731 ( -0.299 -6.023 3.280) 6.865 19.933 ( 0.823 -2.212 -3.045) 3.852 ======================= Grid point 80 (38/80) ======================= q-point: (-0.17 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( -9.728 17.987 -0.711) 20.462 1.162 ( -5.513 22.997 -4.713) 24.113 1.730 ( -9.302 14.066 11.460) 20.389 1.836 ( -8.205 6.690 -2.727) 10.932 1.959 ( 0.008 4.091 -0.955) 4.201 2.164 ( 4.381 -5.433 2.422) 7.388 2.253 ( -2.555 0.755 7.044) 7.531 2.351 ( -0.451 -1.557 1.518) 2.221 2.393 ( 0.498 7.741 -0.648) 7.784 2.518 ( -3.084 9.248 1.762) 9.907 2.721 ( 13.495 8.023 2.741) 15.938 2.782 ( 5.720 4.828 1.069) 7.561 2.812 ( 2.230 1.967 0.969) 3.128 2.924 ( 0.476 3.497 -0.896) 3.641 2.971 ( 1.974 -2.565 -0.354) 3.256 3.022 ( 0.185 3.179 -2.341) 3.952 3.141 ( -0.110 -3.370 3.831) 5.103 3.258 ( -0.410 -0.983 -2.519) 2.735 3.326 ( 2.322 -0.776 -8.686) 9.024 3.439 ( -5.290 1.928 1.030) 5.724 3.518 ( 2.602 8.217 -1.793) 8.804 3.768 ( 0.027 -3.623 -5.268) 6.393 3.873 ( -3.023 1.354 -2.773) 4.320 3.895 ( -0.989 -0.192 1.712) 1.987 3.994 ( 3.814 -2.983 0.140) 4.844 4.033 ( 0.719 -2.154 -4.526) 5.064 4.120 ( 3.173 -1.102 -0.383) 3.381 4.205 ( 0.339 -0.510 1.968) 2.061 4.225 ( 3.074 -2.424 -1.753) 4.289 4.352 ( -1.031 -3.224 4.308) 5.479 4.419 ( -1.069 -0.016 -0.898) 1.396 4.570 ( -2.033 1.151 -0.005) 2.336 4.625 ( -0.555 -1.539 -2.331) 2.847 4.647 ( -1.441 -4.040 2.941) 5.201 4.879 ( 1.517 -0.572 3.009) 3.418 4.928 ( 1.186 -0.283 0.016) 1.220 5.095 ( -0.819 4.826 -0.204) 4.899 5.192 ( -0.654 1.954 -0.663) 2.164 5.291 ( -3.020 -4.504 2.561) 5.997 5.521 ( -3.855 -3.700 -1.543) 5.561 5.612 ( -1.198 -5.332 -0.170) 5.468 5.799 ( 8.801 -3.054 8.306) 12.481 5.870 ( 0.285 -3.807 -1.677) 4.170 5.985 ( -1.359 -8.602 -3.176) 9.270 6.055 ( -3.993 -4.889 1.897) 6.591 6.074 ( 0.280 -6.256 -2.943) 6.920 6.209 ( 3.220 -2.271 1.138) 4.102 6.343 ( 4.126 -7.441 1.853) 8.708 6.627 ( -1.531 1.671 3.277) 3.984 6.680 ( 2.965 5.092 -1.730) 6.141 6.740 ( 3.305 -1.615 -3.994) 5.430 6.870 ( -4.089 5.253 -0.109) 6.657 6.960 ( 1.294 0.125 -1.677) 2.122 6.966 ( -1.893 3.072 0.901) 3.719 6.995 ( 0.767 1.550 -1.026) 2.011 7.110 ( 0.987 0.390 -0.727) 1.287 7.305 ( -2.517 4.468 -2.970) 5.926 7.386 ( 1.566 -1.796 2.068) 3.155 7.473 ( -2.088 1.961 0.278) 2.878 7.536 ( -3.451 -1.258 1.524) 3.977 7.649 ( 0.657 -0.697 1.996) 2.214 7.769 ( -1.785 2.423 2.290) 3.781 7.854 ( 0.687 2.152 -2.151) 3.120 7.920 ( 0.297 -4.768 0.567) 4.811 7.991 ( -0.369 2.463 -2.568) 3.577 8.038 ( -1.446 -2.798 1.109) 3.339 8.103 ( 2.291 -2.552 -1.244) 3.648 8.155 ( -0.256 -3.171 -0.100) 3.183 8.288 ( 0.201 -0.787 1.757) 1.936 8.331 ( 1.183 -0.340 -0.995) 1.582 8.398 ( 2.044 1.908 0.196) 2.803 8.491 ( -1.296 -0.251 -0.111) 1.324 8.510 ( 0.514 -1.653 -2.673) 3.184 8.622 ( -2.479 -1.518 -1.009) 3.077 8.674 ( 0.084 -0.548 4.622) 4.655 8.763 ( 2.268 0.613 -1.505) 2.790 9.094 ( -1.273 4.079 -1.069) 4.405 9.165 ( -0.035 1.797 0.743) 1.945 9.337 ( -0.985 -1.625 -0.407) 1.943 9.417 ( 0.483 -1.423 0.671) 1.646 12.990 ( -0.303 11.905 0.185) 11.910 13.223 ( 7.904 9.190 -2.799) 12.440 14.128 ( -2.635 -5.724 1.431) 6.461 14.391 ( -2.589 -13.163 -2.819) 13.708 16.989 ( 0.008 1.628 -0.663) 1.757 17.046 ( 0.330 2.528 -1.296) 2.859 17.087 ( -2.043 1.265 4.686) 5.266 17.122 ( -3.483 -0.497 4.966) 6.086 17.343 ( 3.602 1.666 -0.370) 3.986 17.445 ( 4.247 -0.132 7.603) 8.710 17.475 ( -0.825 2.025 -2.591) 3.391 17.544 ( 2.039 -0.253 -2.155) 2.977 17.713 ( -3.125 1.819 -3.526) 5.051 17.813 ( -2.544 -5.011 4.642) 7.289 17.927 ( 0.827 -2.570 -5.655) 6.266 17.991 ( -0.098 -2.835 -1.971) 3.454 18.102 ( 3.084 0.531 -0.824) 3.236 18.118 ( 1.716 -0.934 -0.383) 1.990 18.180 ( -0.506 -1.486 -0.100) 1.573 18.264 ( 0.763 -0.941 0.219) 1.231 18.794 ( -0.446 0.199 -0.760) 0.903 18.828 ( -1.866 1.537 0.042) 2.418 19.009 ( 1.621 -2.976 2.389) 4.146 19.193 ( 5.507 -2.530 -3.723) 7.113 19.535 ( -2.989 1.565 -0.351) 3.392 19.729 ( -2.463 -3.788 3.088) 5.473 19.753 ( -1.121 -5.267 1.004) 5.477 19.938 ( 1.989 -5.283 -1.571) 5.860 ======================= Grid point 81 (39/80) ======================= q-point: ( 0.00 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( 4.144 20.324 8.769) 22.520 1.659 ( -3.230 9.799 -5.117) 11.517 1.754 ( 8.938 20.044 -7.412) 23.164 2.016 ( 4.409 1.252 4.757) 6.606 2.098 ( 3.895 -3.350 -0.170) 5.140 2.168 ( -8.257 8.801 1.966) 12.227 2.296 ( -4.507 6.283 6.403) 10.039 2.354 ( -3.919 0.597 3.621) 5.369 2.455 ( -5.791 8.036 1.051) 9.961 2.627 ( 1.580 -2.083 0.545) 2.671 2.766 ( -0.200 -4.239 -0.458) 4.268 2.826 ( -5.130 -1.237 -2.607) 5.886 2.923 ( -5.807 3.173 -2.601) 7.110 2.955 ( 0.803 1.137 -0.536) 1.491 3.058 ( 1.117 4.887 -0.466) 5.034 3.147 ( 3.253 -2.010 1.433) 4.084 3.209 ( 4.376 2.802 1.746) 5.482 3.273 ( -5.208 4.205 0.372) 6.704 3.347 ( 4.558 4.714 -3.994) 7.678 3.418 ( 6.280 2.673 -1.261) 6.941 3.546 ( 2.938 -5.881 -5.704) 8.704 3.685 ( 0.552 4.321 -6.013) 7.425 3.750 ( -2.875 -6.057 6.491) 9.332 3.929 ( 0.876 -3.248 1.053) 3.525 3.996 ( 0.958 -2.829 0.497) 3.028 4.036 ( 0.446 1.592 0.391) 1.699 4.121 ( -4.124 -0.611 1.026) 4.293 4.161 ( -1.214 4.403 1.899) 4.947 4.222 ( -0.808 1.260 -2.671) 3.062 4.346 ( 0.809 -6.261 -2.157) 6.672 4.374 ( 2.583 -1.772 -1.585) 3.511 4.440 ( -7.041 -1.424 2.325) 7.550 4.565 ( 2.751 -3.574 0.562) 4.545 4.654 ( 0.881 3.381 -0.776) 3.580 4.846 ( -1.072 -4.308 0.227) 4.446 4.900 ( -0.286 -2.310 -0.639) 2.414 5.146 ( -1.896 0.399 -1.289) 2.327 5.171 ( 0.486 3.254 -1.804) 3.753 5.244 ( 0.794 -2.281 2.855) 3.740 5.433 ( 0.574 -5.561 -1.993) 5.935 5.519 ( 3.570 -4.938 4.359) 7.492 5.671 ( -4.694 -7.165 -2.404) 8.896 5.760 ( -1.153 -2.894 -1.405) 3.417 5.953 ( 1.763 -3.536 -3.556) 5.316 5.976 ( 0.304 -0.852 7.940) 7.992 6.049 ( 8.167 -4.488 10.597) 14.111 6.200 ( 1.731 -5.528 2.368) 6.258 6.283 ( 1.817 -6.563 9.267) 11.500 6.577 ( -6.473 0.840 -4.794) 8.099 6.682 ( -2.704 3.674 -7.412) 8.703 6.794 ( 2.196 -0.063 -3.668) 4.276 6.911 ( -0.950 2.411 -3.291) 4.189 6.949 ( -2.452 6.098 -1.315) 6.703 6.997 ( -0.962 2.095 0.549) 2.370 7.066 ( 1.762 -0.459 -3.647) 4.076 7.220 ( 6.147 2.804 -1.291) 6.879 7.265 ( -1.556 1.013 -1.396) 2.324 7.354 ( -2.920 -2.050 -0.007) 3.568 7.483 ( -0.880 0.697 -1.031) 1.524 7.548 ( 0.951 3.156 1.621) 3.673 7.636 ( -1.171 -2.268 1.565) 2.994 7.776 ( -1.376 -1.341 2.328) 3.019 7.870 ( 0.373 0.245 -1.186) 1.267 7.897 ( 3.136 -0.958 2.111) 3.900 7.939 ( -0.288 0.437 -1.705) 1.784 8.038 ( 1.468 -0.809 -0.332) 1.709 8.068 ( 2.108 -2.756 2.591) 4.330 8.143 ( -0.772 -1.452 2.987) 3.410 8.225 ( -3.049 -0.569 -0.147) 3.105 8.367 ( 1.185 1.603 -2.249) 3.006 8.436 ( 0.200 -2.033 -0.477) 2.098 8.455 ( -0.282 -0.518 -0.595) 0.837 8.510 ( 1.130 0.739 0.861) 1.602 8.560 ( -0.962 -0.136 -0.196) 0.991 8.695 ( -1.272 0.834 2.195) 2.670 8.795 ( 1.419 -0.795 -0.190) 1.638 9.148 ( -0.413 3.428 -1.507) 3.767 9.177 ( -0.949 2.807 -2.790) 4.070 9.317 ( 0.827 -1.912 1.930) 2.840 9.384 ( -0.322 -2.290 -0.186) 2.320 13.267 ( 0.528 13.839 1.004) 13.885 13.413 ( -0.020 7.641 -2.787) 8.133 13.974 ( -0.378 -8.265 1.765) 8.460 14.104 ( 0.412 -11.969 -1.370) 12.054 17.030 ( -1.918 0.919 2.733) 3.463 17.072 ( -2.948 -0.631 5.203) 6.013 17.133 ( 1.564 3.377 0.502) 3.755 17.187 ( 1.827 5.133 -0.464) 5.469 17.369 ( -3.900 1.346 -4.941) 6.437 17.416 ( -4.748 2.503 -3.300) 6.301 17.527 ( 3.400 -0.216 0.163) 3.411 17.615 ( 0.405 -1.340 0.353) 1.444 17.691 ( -4.122 -3.939 4.149) 7.051 17.700 ( 1.069 -1.904 1.501) 2.649 17.871 ( 3.007 -1.848 0.468) 3.560 17.942 ( 5.226 -0.597 -5.323) 7.483 18.121 ( 1.458 -0.222 -1.305) 1.969 18.136 ( 0.223 -1.045 -1.080) 1.519 18.162 ( -1.079 1.144 0.149) 1.579 18.243 ( -0.277 -1.155 -1.209) 1.694 18.813 ( 0.578 0.637 0.248) 0.895 18.840 ( -0.416 1.736 0.144) 1.791 18.957 ( -1.545 -3.279 1.062) 3.777 19.126 ( 1.829 -6.446 -2.371) 7.107 19.553 ( -3.219 -2.224 1.458) 4.175 19.607 ( 2.249 -0.162 -0.059) 2.256 19.663 ( -1.998 -4.202 3.514) 5.831 19.845 ( 2.229 -4.239 -0.954) 4.884 ======================= Grid point 82 (40/80) ======================= q-point: ( 0.17 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( -4.330 3.937 -4.434) 7.342 1.628 ( 10.533 17.038 10.105) 22.435 1.911 ( -5.011 8.116 -11.941) 15.283 1.931 ( 7.978 17.204 -2.767) 19.165 2.008 ( -5.959 6.441 -0.514) 8.790 2.170 ( -0.522 0.329 3.116) 3.177 2.233 ( -6.442 5.694 1.431) 8.717 2.356 ( -1.016 0.458 9.241) 9.308 2.508 ( -0.368 3.308 9.827) 10.375 2.590 ( -6.846 -5.814 -3.923) 9.801 2.730 ( -0.335 -6.800 -0.422) 6.821 2.760 ( 2.090 2.525 2.993) 4.438 2.812 ( -2.529 4.183 0.767) 4.947 2.904 ( -10.625 7.150 3.130) 13.184 2.978 ( -4.279 0.018 0.562) 4.316 3.110 ( 1.147 -4.622 -3.792) 6.088 3.235 ( 0.090 3.421 1.252) 3.644 3.339 ( 5.088 9.109 -0.927) 10.475 3.411 ( 5.917 1.416 -5.744) 8.368 3.488 ( -0.627 -1.036 -4.767) 4.918 3.604 ( 4.108 6.016 -9.237) 11.764 3.657 ( 9.139 -3.773 -1.091) 9.947 3.809 ( -3.094 -7.070 8.016) 11.127 3.905 ( -3.459 -0.773 -0.083) 3.545 3.989 ( -1.997 4.128 -0.531) 4.616 4.024 ( -0.996 -1.720 -1.160) 2.301 4.075 ( -1.911 0.282 0.805) 2.093 4.126 ( 0.882 7.570 0.760) 7.659 4.266 ( 1.051 -2.847 5.252) 6.065 4.290 ( -3.049 -8.403 -2.740) 9.349 4.360 ( -2.637 -3.867 2.650) 5.379 4.404 ( 2.129 -1.420 -3.236) 4.126 4.600 ( -0.385 -0.845 -1.463) 1.733 4.704 ( 4.442 0.975 -0.043) 4.548 4.809 ( -1.800 -2.254 -0.357) 2.906 4.920 ( 2.240 -0.965 1.829) 3.049 5.073 ( -2.103 2.368 -2.903) 4.296 5.228 ( 4.996 -0.813 -0.156) 5.064 5.310 ( 2.587 -2.800 3.353) 5.077 5.371 ( -2.020 -5.825 -3.425) 7.053 5.594 ( -2.039 -3.954 -1.132) 4.590 5.664 ( 3.071 -9.149 4.011) 10.451 5.751 ( 0.660 -1.846 1.985) 2.790 5.919 ( -0.199 -3.015 -2.891) 4.182 6.011 ( -3.586 3.151 4.690) 6.693 6.234 ( -1.330 0.187 2.279) 2.645 6.352 ( 5.222 -3.796 10.578) 12.392 6.390 ( -0.902 -2.007 -1.522) 2.675 6.438 ( 0.942 -7.700 8.745) 11.690 6.520 ( -2.941 3.914 -9.764) 10.922 6.741 ( -1.918 -4.074 -6.918) 8.255 6.861 ( -2.286 5.766 -3.193) 6.976 6.875 ( -0.972 1.537 -3.312) 3.778 6.986 ( -1.326 0.300 2.221) 2.604 7.060 ( 0.749 -2.489 -4.494) 5.191 7.244 ( 0.469 5.099 -2.184) 5.567 7.286 ( 0.829 -2.514 -0.490) 2.692 7.324 ( 1.836 2.060 1.761) 3.274 7.485 ( 2.102 -1.750 -1.378) 3.063 7.595 ( 1.138 -0.836 -2.194) 2.609 7.628 ( -0.550 1.613 4.836) 5.127 7.767 ( -2.108 0.323 2.475) 3.267 7.885 ( 1.918 -0.372 -0.622) 2.050 7.898 ( -0.986 1.424 -1.566) 2.335 7.984 ( 2.960 -0.770 -0.029) 3.059 8.045 ( -3.054 -2.220 -0.015) 3.776 8.112 ( 1.148 -2.149 1.327) 2.774 8.173 ( 3.071 0.250 2.534) 3.990 8.207 ( 0.853 2.798 -0.102) 2.926 8.352 ( -0.804 1.255 -1.527) 2.133 8.401 ( -2.285 -1.615 -0.068) 2.799 8.481 ( 1.581 -1.044 -0.182) 1.903 8.533 ( 0.753 0.495 -0.427) 0.997 8.552 ( 0.935 -0.771 0.542) 1.328 8.685 ( -1.846 0.452 2.008) 2.765 8.809 ( 0.037 -1.624 -0.264) 1.646 9.122 ( -0.650 3.488 -1.206) 3.747 9.145 ( 0.193 4.002 -1.701) 4.353 9.352 ( 0.506 -2.772 1.249) 3.083 9.372 ( -0.173 -2.658 -0.421) 2.697 13.278 ( -1.096 12.977 0.326) 13.027 13.372 ( -0.410 11.003 -1.650) 11.134 13.985 ( -0.364 -9.768 1.115) 9.838 14.121 ( 2.517 -10.998 -1.050) 11.331 17.003 ( -2.775 0.695 1.075) 3.056 17.066 ( -3.663 0.011 3.792) 5.272 17.093 ( -6.374 1.067 -1.059) 6.549 17.148 ( -3.322 0.455 3.491) 4.840 17.329 ( 1.284 3.867 -2.267) 4.663 17.386 ( 4.616 3.113 2.409) 6.067 17.533 ( -1.622 -0.095 -2.086) 2.644 17.607 ( -0.531 1.393 -1.413) 2.054 17.643 ( -3.585 -5.166 1.494) 6.463 17.686 ( -0.878 -5.018 -0.580) 5.127 17.974 ( 4.051 0.025 0.305) 4.063 18.006 ( 4.374 -0.176 -3.358) 5.518 18.072 ( -2.676 -0.341 -1.674) 3.174 18.124 ( -1.858 -0.995 -1.359) 2.508 18.170 ( 2.250 0.511 0.432) 2.347 18.237 ( 0.783 -0.846 -0.612) 1.305 18.807 ( -0.762 -0.339 0.214) 0.861 18.853 ( 0.274 0.092 0.660) 0.721 18.929 ( -1.125 -1.937 0.423) 2.280 19.119 ( -0.405 -5.543 -1.958) 5.893 19.483 ( -3.169 -3.775 -0.478) 4.952 19.624 ( -3.688 -6.677 2.132) 7.920 19.728 ( 6.237 3.362 2.007) 7.365 19.903 ( 3.919 -2.199 -0.646) 4.540 ======================= Grid point 83 (41/80) ======================= q-point: ( 0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( 1.570 0.624 -4.989) 5.268 1.768 ( 2.934 7.240 -8.279) 11.383 1.814 ( -3.340 8.586 -7.446) 11.845 1.912 ( 8.897 10.831 2.414) 14.223 2.040 ( -8.572 2.506 8.640) 12.426 2.128 ( -3.711 -3.690 4.578) 6.953 2.166 ( -2.439 6.897 3.232) 7.998 2.280 ( -7.751 1.071 3.638) 8.629 2.522 ( 1.007 5.942 1.866) 6.309 2.600 ( -3.987 6.430 2.329) 7.917 2.693 ( -6.526 0.060 0.081) 6.526 2.720 ( -4.662 -1.197 0.057) 4.813 2.742 ( 0.352 -6.359 3.581) 7.307 2.893 ( 1.660 1.506 2.861) 3.634 3.098 ( 11.235 5.996 9.136) 15.673 3.156 ( 4.516 0.273 -1.372) 4.728 3.229 ( 0.416 0.254 -3.259) 3.295 3.288 ( -6.412 2.180 -7.058) 9.782 3.422 ( 1.933 3.241 -7.805) 8.669 3.440 ( 1.594 -1.011 -6.522) 6.790 3.566 ( -0.669 2.931 -3.168) 4.367 3.711 ( -0.452 0.391 -2.210) 2.289 3.816 ( 1.904 4.328 1.670) 5.015 3.934 ( 0.363 -0.919 7.733) 7.796 3.949 ( -1.637 3.358 0.142) 3.738 3.989 ( -1.818 -2.785 -3.190) 4.608 4.035 ( -1.490 0.478 2.316) 2.795 4.177 ( -1.133 4.343 3.955) 5.982 4.241 ( 2.336 -5.400 -0.979) 5.965 4.341 ( 0.726 -3.680 1.135) 3.918 4.359 ( -0.135 -4.297 1.910) 4.704 4.389 ( -1.465 -2.406 2.561) 3.807 4.565 ( 0.360 2.747 -2.644) 3.829 4.751 ( 0.515 -3.655 -0.445) 3.717 4.813 ( 2.050 1.265 0.101) 2.411 4.963 ( 0.277 0.111 -3.406) 3.419 5.052 ( 0.512 1.204 4.654) 4.835 5.325 ( 2.221 -2.653 -0.334) 3.475 5.337 ( 3.072 -2.303 -0.663) 3.896 5.407 ( 4.198 -2.994 2.211) 5.610 5.516 ( -2.826 -2.818 -4.289) 5.859 5.698 ( 0.346 -8.558 -0.534) 8.581 5.817 ( 0.622 -3.955 2.120) 4.530 5.884 ( -3.057 -3.844 1.334) 5.090 5.942 ( -2.217 4.404 -4.194) 6.473 6.158 ( -5.051 3.674 5.535) 8.346 6.308 ( -2.602 1.432 -10.029) 10.459 6.388 ( -0.268 -1.317 -1.645) 2.125 6.504 ( 0.288 -0.606 -1.585) 1.721 6.627 ( 4.170 -4.475 9.373) 11.192 6.685 ( 0.677 -7.313 2.400) 7.726 6.796 ( -0.534 -1.490 -5.280) 5.512 6.829 ( -1.253 2.319 0.772) 2.746 6.983 ( -0.214 1.130 -0.285) 1.185 6.997 ( -2.285 -1.248 0.266) 2.617 7.279 ( 2.890 5.658 0.117) 6.354 7.293 ( -0.164 -4.025 0.292) 4.039 7.391 ( 3.297 1.825 0.492) 3.801 7.492 ( 0.374 -2.552 -2.509) 3.599 7.586 ( 1.274 -1.623 -1.348) 2.464 7.673 ( -0.863 4.025 3.584) 5.458 7.746 ( -2.735 1.417 2.714) 4.105 7.870 ( 0.427 0.710 -2.412) 2.550 7.901 ( -0.358 -2.477 -0.315) 2.522 7.990 ( 0.144 -1.448 -1.045) 1.791 8.017 ( 1.433 -0.648 -0.970) 1.847 8.181 ( 3.873 0.770 -0.509) 3.982 8.218 ( 0.984 1.508 -0.946) 2.034 8.242 ( 1.552 1.712 0.771) 2.436 8.317 ( -1.745 1.442 0.202) 2.273 8.343 ( -4.005 0.099 1.212) 4.186 8.498 ( 0.363 0.813 0.294) 0.937 8.532 ( 0.078 -1.128 -1.637) 1.989 8.593 ( 1.388 -1.867 0.758) 2.447 8.677 ( 0.039 -0.107 0.641) 0.651 8.788 ( -1.315 -2.473 -1.195) 3.044 9.111 ( 0.072 4.017 0.246) 4.025 9.149 ( 0.739 3.483 0.722) 3.633 9.347 ( -0.333 -2.452 -0.582) 2.542 9.382 ( 0.327 -3.342 0.396) 3.381 13.243 ( -1.398 12.194 -0.258) 12.277 13.370 ( 0.291 14.090 -0.517) 14.102 13.985 ( -0.271 -11.471 0.837) 11.504 14.160 ( 1.992 -9.992 -0.921) 10.231 16.955 ( -2.100 -0.602 -0.315) 2.207 16.978 ( -1.843 -1.162 -0.121) 2.183 17.066 ( -3.543 -1.350 5.650) 6.804 17.108 ( -4.270 -2.235 5.211) 7.098 17.376 ( 2.173 2.875 -1.071) 3.760 17.448 ( -4.760 0.077 -2.046) 5.181 17.465 ( -1.894 0.989 2.748) 3.481 17.564 ( -0.398 -2.368 -3.425) 4.183 17.604 ( 3.264 -0.578 -0.270) 3.326 17.714 ( 2.579 -2.214 -0.167) 3.403 17.967 ( -1.477 0.052 -1.788) 2.319 18.017 ( -1.266 -0.124 -0.355) 1.321 18.057 ( 2.187 -1.147 -1.402) 2.840 18.095 ( 0.904 -2.049 -1.958) 2.975 18.217 ( 1.315 1.943 0.673) 2.441 18.246 ( 0.489 0.779 -0.998) 1.357 18.800 ( -0.061 -1.508 0.141) 1.516 18.841 ( -2.193 -3.021 1.540) 4.039 18.950 ( 2.814 0.611 -0.310) 2.896 19.070 ( -2.561 -2.836 -1.838) 4.240 19.452 ( 0.022 -3.811 0.923) 3.921 19.571 ( -3.785 -6.724 3.226) 8.364 19.851 ( 4.186 3.537 0.067) 5.481 19.946 ( 1.977 -0.558 -2.696) 3.389 ======================= Grid point 84 (42/80) ======================= q-point: (-0.50 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( 6.597 -2.843 -4.342) 8.394 1.629 ( -2.061 7.821 -11.509) 14.067 1.815 ( -2.419 -4.546 2.407) 5.684 1.975 ( 3.182 1.392 4.910) 6.015 2.055 ( 1.913 0.939 0.811) 2.280 2.144 ( -1.927 4.846 6.738) 8.521 2.199 ( 4.058 5.714 7.079) 9.962 2.249 ( -4.693 5.517 3.366) 7.987 2.430 ( -5.006 11.170 -0.687) 12.260 2.593 ( 1.368 4.643 3.168) 5.785 2.601 ( -0.998 -0.765 -1.397) 1.880 2.715 ( -2.100 1.500 -0.546) 2.638 2.747 ( -0.638 0.144 2.177) 2.273 2.942 ( -2.632 -1.093 1.522) 3.231 2.974 ( -9.221 5.264 -8.433) 13.559 3.151 ( -0.770 0.152 -3.400) 3.489 3.220 ( 1.079 -4.835 -5.085) 7.099 3.347 ( -0.093 -1.252 -8.361) 8.454 3.410 ( 5.620 2.984 -4.167) 7.606 3.457 ( 8.840 1.700 4.944) 10.270 3.587 ( 2.770 5.560 3.472) 7.117 3.719 ( -0.277 0.359 1.195) 1.278 3.833 ( -0.371 4.710 0.677) 4.772 3.879 ( -1.316 0.587 -5.790) 5.967 3.983 ( -2.780 -4.651 6.829) 8.717 4.011 ( -0.227 0.580 -0.603) 0.867 4.056 ( 4.374 5.426 4.382) 8.232 4.166 ( -1.842 1.623 3.434) 4.222 4.279 ( -1.998 -5.116 1.553) 5.707 4.351 ( -0.974 -1.940 0.910) 2.354 4.377 ( 2.709 3.430 1.374) 4.582 4.420 ( -1.536 -6.762 6.288) 9.360 4.578 ( 2.478 3.957 -1.224) 4.827 4.761 ( 0.573 -4.028 0.625) 4.117 4.823 ( -0.252 0.246 -2.015) 2.045 4.893 ( -2.323 -0.487 -4.513) 5.099 5.134 ( 1.383 1.644 6.362) 6.715 5.340 ( 0.262 -1.883 -0.037) 1.901 5.370 ( -0.529 2.334 -2.654) 3.574 5.412 ( -3.312 -3.355 -1.158) 4.855 5.517 ( 4.832 -4.639 0.735) 6.739 5.682 ( -2.371 -8.466 -2.263) 9.078 5.767 ( -0.511 -1.415 -2.652) 3.049 5.851 ( -0.853 -2.684 0.540) 2.868 5.934 ( 1.056 -2.171 1.817) 3.022 6.115 ( -1.067 1.947 -5.612) 6.035 6.198 ( -1.797 -5.506 -8.064) 9.929 6.375 ( 3.373 4.761 4.511) 7.375 6.452 ( -3.229 -3.203 -8.416) 9.566 6.631 ( -2.539 1.749 0.929) 3.220 6.774 ( 0.598 -4.172 7.992) 9.035 6.804 ( 1.616 -4.932 -1.404) 5.377 6.877 ( 3.161 1.537 5.716) 6.710 6.995 ( 0.124 2.773 4.178) 5.016 7.007 ( 2.198 -0.412 -1.224) 2.549 7.243 ( -2.267 0.778 -2.567) 3.512 7.344 ( -0.358 -1.706 2.885) 3.371 7.427 ( 1.441 2.731 -2.350) 3.880 7.497 ( 3.177 -2.939 -0.609) 4.370 7.590 ( -0.257 0.534 -2.815) 2.877 7.665 ( -3.158 3.338 4.212) 6.234 7.730 ( -1.026 0.496 2.780) 3.004 7.864 ( 0.807 -1.008 -1.756) 2.179 7.902 ( 0.496 -1.320 0.620) 1.540 7.987 ( 0.221 -0.137 -2.733) 2.745 8.023 ( 0.238 -0.277 -1.145) 1.201 8.207 ( -0.515 -0.609 -1.697) 1.875 8.215 ( 0.184 0.445 -2.592) 2.636 8.262 ( 0.117 1.938 0.504) 2.006 8.300 ( -0.723 1.901 1.371) 2.453 8.310 ( 0.130 1.344 1.913) 2.342 8.487 ( -0.775 -0.578 -3.833) 3.953 8.529 ( 0.856 -0.754 2.279) 2.548 8.604 ( -0.782 -0.597 0.760) 1.243 8.683 ( -0.428 -0.350 -0.944) 1.094 8.753 ( 0.245 -2.546 -2.053) 3.280 9.128 ( 0.528 3.447 1.662) 3.863 9.179 ( 0.564 3.006 2.037) 3.675 9.340 ( 0.177 -2.233 -0.466) 2.288 9.380 ( -0.481 -3.068 -0.422) 3.134 13.240 ( 0.723 12.465 1.061) 12.531 13.357 ( -0.350 14.342 -1.728) 14.450 14.000 ( 0.086 -11.710 2.064) 11.891 14.166 ( 0.122 -10.542 -1.932) 10.718 16.959 ( 1.885 -1.443 2.452) 3.412 16.994 ( 1.699 -2.228 2.639) 3.848 17.053 ( -3.496 -1.327 5.267) 6.459 17.096 ( -2.568 -2.458 5.600) 6.633 17.307 ( -2.814 0.448 -5.423) 6.126 17.310 ( -3.729 0.252 -5.656) 6.779 17.501 ( 2.516 0.341 -0.970) 2.718 17.535 ( 2.208 -3.449 -4.397) 6.008 17.709 ( 2.420 0.192 5.052) 5.605 17.747 ( -1.009 -0.863 2.824) 3.121 17.959 ( 1.972 0.716 0.383) 2.133 18.006 ( -0.175 0.893 0.566) 1.072 18.078 ( 1.721 -0.828 -2.559) 3.193 18.093 ( 1.151 -1.794 -2.235) 3.089 18.220 ( -0.829 1.853 -0.578) 2.111 18.228 ( -0.661 1.078 -1.890) 2.274 18.810 ( -0.336 -2.876 1.062) 3.084 18.816 ( -0.569 -2.358 0.842) 2.568 18.997 ( -2.837 -0.178 -1.468) 3.199 19.010 ( 3.797 -0.788 -0.984) 4.001 19.501 ( 2.332 -4.253 3.596) 6.038 19.559 ( -2.103 -6.270 5.566) 8.644 19.847 ( -2.237 3.468 -4.343) 5.991 19.941 ( 1.008 -0.255 -3.903) 4.039 ======================= Grid point 85 (43/80) ======================= q-point: (-0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( -1.160 15.581 -9.415) 18.242 1.597 ( 3.153 -5.059 0.316) 5.969 1.840 ( 3.891 -9.652 1.945) 10.587 1.864 ( -8.900 13.637 -7.154) 17.786 2.127 ( -5.329 4.980 2.238) 7.629 2.206 ( 1.871 2.374 8.554) 9.072 2.291 ( -1.356 -2.069 0.541) 2.532 2.379 ( 14.768 0.244 4.316) 15.388 2.435 ( 3.991 5.179 2.256) 6.917 2.565 ( -8.149 13.880 4.406) 16.687 2.615 ( 2.762 2.602 -2.778) 4.703 2.683 ( -0.367 2.911 4.160) 5.090 2.773 ( 2.418 10.485 6.105) 12.372 2.851 ( 3.758 -5.451 -0.403) 6.633 2.940 ( 1.042 -0.387 -1.078) 1.549 3.091 ( -1.571 -0.315 -3.985) 4.295 3.205 ( 0.338 -3.695 -3.144) 4.863 3.289 ( 4.108 -2.545 -8.676) 9.932 3.412 ( -1.486 8.706 -2.553) 9.194 3.585 ( 3.012 -3.893 -1.596) 5.174 3.652 ( -6.716 0.953 2.549) 7.247 3.720 ( 3.027 9.338 -2.866) 10.226 3.775 ( 1.870 -6.289 -4.415) 7.908 3.872 ( 0.892 -2.243 1.171) 2.682 3.987 ( -1.762 5.809 6.458) 8.863 4.018 ( -0.477 -0.654 -0.279) 0.857 4.169 ( 1.125 0.848 2.935) 3.256 4.189 ( 1.048 1.617 0.996) 2.169 4.228 ( -5.060 0.574 1.546) 5.322 4.297 ( -2.840 -0.592 2.196) 3.638 4.399 ( -1.366 -4.366 2.357) 5.146 4.509 ( 2.812 -1.434 4.358) 5.382 4.613 ( 1.469 1.665 -0.026) 2.220 4.730 ( -6.157 -0.671 -3.269) 7.004 4.792 ( 1.699 -2.752 0.315) 3.249 4.851 ( 2.215 -1.377 -1.952) 3.258 5.204 ( -0.476 2.462 4.409) 5.072 5.275 ( -3.301 2.568 -2.564) 4.906 5.301 ( -4.502 -3.454 -0.586) 5.705 5.436 ( 3.243 -4.706 3.852) 6.892 5.556 ( -5.028 -5.686 -5.211) 9.207 5.587 ( 1.749 -4.165 0.523) 4.547 5.785 ( 0.848 -2.169 2.647) 3.526 5.850 ( 1.315 -1.924 -2.646) 3.526 5.985 ( 0.454 -3.476 0.712) 3.577 6.038 ( 0.726 -5.975 -5.633) 8.244 6.132 ( 2.542 -2.459 -3.686) 5.108 6.227 ( -5.838 -5.994 -11.651) 14.344 6.558 ( 3.085 3.667 10.786) 11.803 6.662 ( 3.474 4.184 3.013) 6.217 6.768 ( -0.049 -0.961 -3.168) 3.311 6.881 ( 2.446 -3.788 4.150) 6.128 6.995 ( 2.839 2.829 1.711) 4.358 7.021 ( 0.042 1.442 -0.901) 1.701 7.037 ( 0.214 2.493 2.948) 3.867 7.177 ( -1.186 2.500 -3.028) 4.102 7.312 ( -1.973 -1.812 -0.210) 2.687 7.461 ( 1.327 -1.084 1.437) 2.237 7.511 ( -2.924 2.282 -3.637) 5.195 7.566 ( 2.948 1.084 -0.881) 3.262 7.638 ( -3.667 1.045 3.902) 5.456 7.764 ( 0.002 -1.299 4.079) 4.281 7.849 ( -0.887 -1.920 -1.902) 2.845 7.917 ( 0.790 -0.340 -0.467) 0.979 7.946 ( -0.460 -1.342 -2.853) 3.186 8.013 ( 0.301 -0.360 -1.308) 1.389 8.148 ( -3.629 -1.078 -1.364) 4.024 8.164 ( -2.617 0.928 -1.816) 3.318 8.271 ( -0.518 1.481 2.451) 2.911 8.316 ( 1.848 1.676 -0.302) 2.513 8.367 ( 2.867 0.668 1.221) 3.187 8.449 ( 1.107 -2.361 -3.276) 4.187 8.549 ( -1.606 -0.495 0.833) 1.876 8.593 ( -1.317 -1.728 1.515) 2.649 8.662 ( 0.084 0.903 0.525) 1.048 8.755 ( 1.754 -0.627 -2.540) 3.150 9.157 ( 0.382 2.316 1.804) 2.961 9.202 ( 0.255 3.251 0.978) 3.404 9.331 ( -1.098 -2.524 -0.627) 2.823 9.371 ( 0.387 -1.938 -0.139) 1.981 13.270 ( 0.262 13.639 0.603) 13.654 13.345 ( 1.949 11.747 -1.316) 11.980 14.008 ( -1.659 -9.956 1.599) 10.219 14.143 ( -0.142 -12.759 -1.604) 12.860 17.027 ( -1.160 0.290 1.641) 2.031 17.056 ( -0.548 -0.573 6.086) 6.137 17.070 ( 2.283 0.653 3.806) 4.485 17.128 ( -0.727 -1.076 5.538) 5.689 17.237 ( 3.049 -0.233 -4.664) 5.577 17.262 ( 5.178 -0.666 -3.141) 6.093 17.510 ( 2.327 -1.577 -4.214) 5.066 17.548 ( 2.184 -2.446 -4.125) 5.270 17.734 ( -3.461 -1.036 4.437) 5.722 17.767 ( -2.314 -1.316 5.722) 6.311 17.977 ( -2.520 2.202 -2.907) 4.433 18.026 ( 2.713 1.317 -0.171) 3.021 18.078 ( 2.624 0.530 -3.531) 4.432 18.087 ( 1.108 -0.557 -3.847) 4.042 18.174 ( -2.176 0.033 -0.138) 2.181 18.229 ( 1.216 -0.068 0.619) 1.366 18.792 ( -0.847 -1.704 0.316) 1.929 18.852 ( 1.205 -2.027 1.578) 2.837 18.943 ( -1.375 0.471 -0.531) 1.547 19.069 ( 3.501 -3.161 -1.866) 5.072 19.579 ( -0.821 -4.134 5.956) 7.297 19.599 ( 0.864 -6.019 4.927) 7.827 19.727 ( -3.989 2.855 -5.085) 7.065 19.894 ( -0.950 -1.774 -4.765) 5.173 ======================= Grid point 86 (44/80) ======================= q-point: (-0.17 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( -4.094 19.716 -0.595) 20.145 1.630 ( 5.267 19.375 -8.964) 21.989 1.769 ( 1.231 2.496 4.500) 5.291 1.959 ( 0.683 0.088 -2.301) 2.402 1.993 ( 2.068 -2.908 -3.434) 4.952 2.242 ( -1.634 -2.150 0.433) 2.735 2.312 ( -0.031 0.323 5.863) 5.872 2.376 ( -12.069 20.672 10.219) 26.027 2.537 ( 1.889 5.727 0.992) 6.112 2.630 ( -0.995 -6.423 3.309) 7.294 2.729 ( 4.208 1.503 2.137) 4.953 2.800 ( 5.868 1.733 4.104) 7.368 2.904 ( 12.249 -3.300 0.044) 12.685 2.955 ( 1.915 3.739 3.199) 5.281 3.001 ( 2.556 4.420 -1.744) 5.395 3.047 ( 5.553 -2.795 -7.054) 9.402 3.118 ( -5.114 1.155 0.538) 5.270 3.312 ( 5.006 6.910 -6.327) 10.622 3.363 ( -2.477 5.397 2.081) 6.292 3.490 ( -8.517 2.747 -2.394) 9.263 3.571 ( 0.662 -8.660 -6.118) 10.624 3.687 ( 0.548 3.788 -2.151) 4.391 3.814 ( -2.721 -9.170 1.219) 9.643 3.897 ( 1.874 1.846 -0.790) 2.747 3.993 ( -2.085 0.203 1.510) 2.583 4.022 ( 0.773 -0.041 0.522) 0.934 4.109 ( -1.777 2.268 3.787) 4.759 4.204 ( -2.076 3.392 0.423) 3.999 4.236 ( 3.000 0.714 -3.623) 4.758 4.320 ( 1.384 -1.229 3.950) 4.362 4.377 ( -2.230 -4.351 -0.223) 4.894 4.554 ( -0.856 -2.371 -2.066) 3.259 4.561 ( -7.127 -2.548 2.307) 7.913 4.644 ( 1.328 3.057 -0.920) 3.458 4.833 ( 1.542 -4.078 0.869) 4.446 4.896 ( 1.840 -2.610 0.079) 3.195 5.185 ( -2.356 0.583 -1.076) 2.655 5.216 ( -2.745 2.616 0.274) 3.802 5.234 ( -1.624 -0.076 1.779) 2.410 5.429 ( -2.164 -4.565 -2.898) 5.824 5.494 ( -0.022 -5.804 -0.436) 5.821 5.705 ( 6.305 -7.465 7.798) 12.502 5.803 ( -0.960 -3.941 -4.259) 5.882 5.840 ( 0.251 -0.655 0.601) 0.924 5.919 ( -1.828 -6.255 -2.129) 6.856 6.017 ( -1.274 -1.689 -2.728) 3.452 6.136 ( 2.183 -4.596 3.561) 6.210 6.183 ( 2.595 -7.180 1.092) 7.712 6.668 ( 0.002 2.624 4.884) 5.544 6.720 ( -0.460 -0.109 -2.313) 2.361 6.781 ( 3.842 3.648 -2.385) 5.809 6.956 ( 2.041 -0.652 0.617) 2.230 6.985 ( 0.312 1.905 -5.220) 5.566 6.999 ( -1.636 4.455 0.798) 4.813 7.064 ( -0.814 3.737 1.468) 4.097 7.145 ( 2.162 3.472 -2.475) 4.780 7.310 ( -0.056 -3.026 0.381) 3.050 7.409 ( -3.203 2.678 -2.824) 5.040 7.485 ( 0.496 -0.394 0.187) 0.661 7.570 ( -2.078 3.367 0.303) 3.968 7.630 ( -1.034 -0.949 2.835) 3.163 7.781 ( -2.040 -1.652 3.165) 4.112 7.832 ( 1.675 -3.014 -0.230) 3.456 7.895 ( -0.733 1.677 -2.597) 3.177 7.947 ( 1.442 -4.412 -1.279) 4.814 8.015 ( 1.184 -0.625 -0.837) 1.579 8.066 ( -2.990 -1.154 -0.365) 3.226 8.125 ( -0.857 0.139 1.671) 1.883 8.271 ( -1.952 -0.409 1.620) 2.569 8.352 ( 1.998 1.975 -0.854) 2.936 8.415 ( 1.574 -0.851 -0.368) 1.827 8.465 ( 1.696 -0.907 0.339) 1.954 8.505 ( -1.700 0.268 -1.575) 2.333 8.579 ( -1.559 -2.093 1.322) 2.926 8.687 ( 0.108 1.407 1.944) 2.402 8.768 ( 1.968 -0.140 -1.522) 2.491 9.165 ( -0.268 2.750 -0.327) 2.782 9.210 ( 0.044 2.521 -0.798) 2.645 9.301 ( -0.917 -1.706 0.343) 1.967 9.383 ( 0.354 -1.948 0.284) 2.000 13.261 ( -0.379 14.019 -0.217) 14.025 13.399 ( 3.269 8.474 -0.959) 9.133 13.980 ( -1.795 -8.491 0.962) 8.732 14.124 ( -0.780 -13.034 -0.968) 13.093 17.026 ( -0.357 1.381 1.583) 2.131 17.076 ( -3.000 -0.658 5.836) 6.595 17.110 ( 1.063 2.081 -0.282) 2.354 17.142 ( 1.753 3.689 -1.300) 4.286 17.376 ( 7.154 0.660 3.294) 7.903 17.432 ( 8.511 -1.232 5.289) 10.096 17.496 ( 0.008 -0.670 -4.729) 4.777 17.530 ( 0.934 -1.622 -3.720) 4.165 17.713 ( -2.831 -1.986 3.216) 4.723 17.737 ( -4.695 -1.286 2.377) 5.418 17.884 ( -2.501 0.030 -2.785) 3.743 17.973 ( -0.682 -0.113 -7.794) 7.825 18.098 ( 2.394 -0.474 -2.309) 3.359 18.122 ( 2.270 -0.122 -0.745) 2.393 18.162 ( -0.033 0.780 1.375) 1.581 18.253 ( 0.206 -0.408 0.269) 0.531 18.793 ( 0.744 0.018 0.054) 0.746 18.859 ( -1.317 1.234 0.524) 1.879 18.949 ( 0.827 -2.605 1.296) 3.025 19.105 ( 2.742 -5.174 -2.524) 6.376 19.579 ( -2.383 0.946 0.630) 2.640 19.619 ( -2.102 -4.088 2.003) 5.014 19.666 ( -1.411 -3.872 2.622) 4.884 19.840 ( 0.090 -3.963 -2.816) 4.862 ======================= Grid point 87 (45/80) ======================= q-point: ( 0.00 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( 3.315 15.718 5.894) 17.111 1.840 ( -8.688 9.716 0.645) 13.050 1.963 ( 5.602 -2.058 3.632) 6.987 2.026 ( 2.817 -3.089 3.270) 5.307 2.136 ( 0.944 -4.161 3.442) 5.482 2.203 ( 0.614 -10.011 1.604) 10.157 2.264 ( 9.463 18.888 -10.665) 23.665 2.451 ( -6.411 8.798 0.249) 10.889 2.577 ( -3.727 -10.361 -8.197) 13.728 2.613 ( -1.733 2.043 -1.763) 3.207 2.738 ( -2.561 -0.884 -1.905) 3.312 2.757 ( -0.902 -8.390 -6.859) 10.874 2.884 ( -1.178 7.415 6.592) 9.991 3.012 ( 2.671 4.126 0.467) 4.938 3.091 ( -1.499 -0.801 4.570) 4.876 3.163 ( 1.905 -0.843 1.702) 2.690 3.238 ( -0.310 -1.155 4.877) 5.021 3.251 ( -4.267 -3.883 -2.651) 6.349 3.455 ( 2.076 3.485 -4.026) 5.715 3.503 ( 2.573 1.912 -6.425) 7.180 3.592 ( 1.736 9.276 2.701) 9.816 3.671 ( -0.716 2.811 2.937) 4.128 3.777 ( -0.886 5.993 5.201) 7.984 3.819 ( -1.889 -5.404 3.006) 6.466 3.853 ( 3.278 -10.344 0.621) 10.868 4.040 ( -0.517 -10.990 -0.269) 11.005 4.138 ( 0.459 5.555 0.373) 5.586 4.184 ( -3.162 0.936 -2.138) 3.930 4.258 ( 1.210 1.002 -3.838) 4.147 4.279 ( -2.982 -0.851 -3.644) 4.785 4.353 ( -0.100 2.555 1.076) 2.774 4.429 ( -4.218 -2.810 1.301) 5.233 4.562 ( -0.144 4.738 0.509) 4.767 4.697 ( 0.442 -5.190 -1.605) 5.451 4.760 ( 1.448 2.089 0.206) 2.550 4.838 ( 1.716 -3.619 -0.707) 4.067 5.143 ( 0.623 0.888 0.053) 1.085 5.191 ( 0.349 -2.877 0.684) 2.978 5.277 ( -2.273 5.091 -3.545) 6.606 5.350 ( -1.366 -2.443 -4.150) 5.006 5.437 ( 3.447 -1.331 2.225) 4.313 5.513 ( -0.701 -7.177 -1.081) 7.292 5.769 ( -0.904 2.748 0.122) 2.895 5.849 ( 1.855 -4.812 0.194) 5.161 6.003 ( 2.588 1.112 7.785) 8.279 6.007 ( 6.486 0.179 9.230) 11.283 6.108 ( 1.080 -1.873 4.918) 5.372 6.158 ( 0.417 -5.280 9.917) 11.243 6.617 ( -5.000 2.825 -6.364) 8.572 6.680 ( -2.770 -2.817 -5.868) 7.074 6.860 ( -0.702 5.188 -5.027) 7.258 6.934 ( -1.771 -0.791 -1.171) 2.266 7.000 ( -0.360 0.407 -0.626) 0.829 7.025 ( 1.361 -2.070 -4.163) 4.844 7.113 ( -1.503 6.573 -3.665) 7.675 7.225 ( -0.138 -3.733 -2.292) 4.383 7.294 ( 4.155 2.498 -1.293) 5.018 7.331 ( -1.321 -0.756 -2.388) 2.832 7.501 ( -1.505 1.651 -1.878) 2.918 7.554 ( -0.058 -2.902 -1.655) 3.342 7.645 ( -0.695 3.579 4.243) 5.595 7.722 ( -0.308 -3.494 3.561) 4.999 7.876 ( 1.368 0.911 1.240) 2.059 7.897 ( 3.274 -0.437 0.064) 3.304 7.960 ( 1.175 2.155 0.705) 2.554 8.012 ( 0.526 -1.983 2.523) 3.252 8.031 ( 0.526 0.014 1.443) 1.536 8.079 ( -3.096 -3.722 3.385) 5.907 8.279 ( 0.342 4.535 -0.458) 4.571 8.370 ( 1.425 -3.603 -0.989) 3.999 8.403 ( -0.326 1.119 -2.270) 2.551 8.431 ( -1.222 -1.348 -1.169) 2.162 8.534 ( -0.127 1.229 1.900) 2.266 8.554 ( -0.401 -0.628 1.751) 1.903 8.729 ( -0.205 2.101 0.160) 2.117 8.770 ( 0.711 -1.704 -0.410) 1.892 9.203 ( -0.240 2.087 -0.769) 2.237 9.225 ( 0.370 0.822 -1.868) 2.074 9.293 ( -0.284 0.325 0.595) 0.735 9.332 ( -0.407 -2.607 -0.675) 2.723 13.555 ( 0.704 13.784 0.047) 13.802 13.585 ( -0.091 8.940 -0.599) 8.961 13.787 ( -0.683 -9.399 1.195) 9.500 13.845 ( 0.563 -13.097 -0.248) 13.111 17.042 ( -2.698 0.457 4.534) 5.296 17.054 ( -2.783 -0.788 5.240) 5.985 17.230 ( 1.968 5.521 -2.177) 6.252 17.305 ( 3.279 5.681 -1.166) 6.662 17.339 ( -2.966 -3.741 -5.098) 6.984 17.416 ( -2.092 -3.485 -3.177) 5.158 17.516 ( 2.110 0.794 0.466) 2.302 17.560 ( 0.877 -3.103 0.615) 3.282 17.659 ( -4.787 0.284 3.901) 6.182 17.670 ( -3.623 -0.769 2.986) 4.757 17.884 ( 5.558 1.929 -2.535) 6.406 17.922 ( 5.361 -1.497 -4.353) 7.066 18.117 ( 2.297 -0.017 -1.714) 2.866 18.122 ( 1.202 -0.449 -1.112) 1.698 18.190 ( -2.071 1.463 -0.525) 2.589 18.219 ( -1.344 -1.256 -1.197) 2.195 18.832 ( -0.811 1.296 0.873) 1.761 18.860 ( -1.493 -0.711 1.036) 1.952 18.924 ( 0.352 1.427 -0.718) 1.636 19.002 ( 1.246 -5.323 -1.517) 5.674 19.504 ( -4.388 -0.460 3.235) 5.471 19.545 ( -3.321 -4.068 3.534) 6.330 19.688 ( 3.725 3.848 -0.484) 5.377 19.767 ( 3.493 -3.702 -1.085) 5.205 ======================= Grid point 88 (46/80) ======================= q-point: ( 0.17 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( -9.574 11.058 1.978) 14.759 1.889 ( -4.527 -3.019 5.484) 7.726 1.994 ( 2.450 6.008 4.507) 7.900 2.053 ( -1.337 -0.126 1.493) 2.008 2.133 ( -4.945 6.833 -6.043) 10.375 2.186 ( -2.560 0.730 -3.780) 4.624 2.298 ( -2.744 -2.359 -2.300) 4.288 2.397 ( 0.210 -5.590 2.184) 6.005 2.498 ( 2.804 9.112 -1.700) 9.684 2.576 ( -3.398 -1.397 -3.282) 4.926 2.579 ( 4.849 1.319 -0.212) 5.030 2.798 ( 3.432 -4.610 -0.169) 5.750 2.882 ( -5.058 -1.383 -3.853) 6.507 2.951 ( -2.773 -3.946 -3.584) 6.009 3.054 ( -4.701 11.599 6.495) 14.101 3.131 ( -2.097 8.467 4.920) 10.015 3.264 ( -2.061 -2.654 4.151) 5.341 3.337 ( 2.273 -6.978 8.100) 10.931 3.441 ( 1.765 -0.557 -7.024) 7.263 3.462 ( 1.228 -2.088 -6.854) 7.269 3.677 ( 2.332 2.442 3.148) 4.617 3.710 ( 1.593 3.040 3.652) 5.012 3.778 ( -0.802 10.455 -4.216) 11.302 3.861 ( 2.410 -0.743 2.323) 3.429 3.985 ( 6.561 -6.715 1.670) 9.536 4.035 ( 0.135 -9.791 -6.574) 11.794 4.087 ( -2.960 2.932 0.763) 4.236 4.156 ( -1.256 -1.104 5.819) 6.055 4.184 ( -0.832 2.969 -3.112) 4.381 4.264 ( 2.288 0.113 -2.627) 3.486 4.312 ( -5.037 2.065 2.990) 6.211 4.366 ( -2.666 -2.995 -0.242) 4.017 4.576 ( 0.813 1.600 -0.476) 1.857 4.680 ( -0.218 -6.110 -2.088) 6.460 4.813 ( 3.325 4.235 0.083) 5.385 4.889 ( 3.426 -2.507 0.377) 4.262 5.146 ( -1.328 3.908 -2.443) 4.796 5.201 ( 2.493 -1.297 0.202) 2.817 5.271 ( 1.271 -1.595 -0.093) 2.042 5.285 ( 0.546 -2.059 -1.411) 2.555 5.495 ( 0.063 -3.268 -1.588) 3.634 5.510 ( 2.437 -4.859 0.423) 5.452 5.776 ( 0.680 2.857 0.592) 2.996 5.845 ( -0.323 -3.667 -1.685) 4.048 6.118 ( -1.551 6.335 8.802) 10.955 6.237 ( 4.791 0.121 8.877) 10.088 6.257 ( 2.355 -5.112 11.873) 13.140 6.295 ( 5.713 -4.940 9.750) 12.333 6.418 ( -5.546 3.675 -7.782) 10.239 6.509 ( -4.886 -4.251 -9.483) 11.484 6.765 ( -2.154 5.235 -9.276) 10.867 6.868 ( -1.834 -3.346 -7.559) 8.467 6.936 ( -4.198 1.894 -0.458) 4.628 6.973 ( -2.711 -1.767 -0.447) 3.267 7.076 ( -0.094 5.031 -0.846) 5.102 7.194 ( -1.057 -5.505 -0.426) 5.622 7.338 ( 3.961 3.058 -3.007) 5.838 7.365 ( 2.742 0.770 0.171) 2.853 7.472 ( 0.856 1.183 -1.602) 2.167 7.530 ( -0.380 -3.653 -0.930) 3.789 7.701 ( 1.360 3.617 3.979) 5.547 7.757 ( -0.062 -1.575 3.164) 3.535 7.885 ( -0.695 0.888 0.299) 1.167 7.911 ( -1.274 -0.722 -2.407) 2.817 7.968 ( 1.250 -0.348 0.188) 1.311 7.987 ( -3.383 -2.388 0.424) 4.163 8.116 ( 5.451 2.245 2.450) 6.384 8.165 ( 4.620 -1.590 3.684) 6.119 8.294 ( 0.731 4.468 -0.240) 4.533 8.359 ( -2.087 -1.910 -1.243) 3.091 8.369 ( 0.105 0.831 -2.096) 2.257 8.426 ( 1.434 -3.683 0.284) 3.963 8.542 ( -0.377 0.857 1.397) 1.682 8.556 ( -0.914 -0.179 1.325) 1.620 8.717 ( -1.184 2.375 0.089) 2.655 8.768 ( -0.532 -2.341 -0.581) 2.470 9.194 ( 0.103 3.238 -0.625) 3.299 9.216 ( 0.543 2.284 -1.711) 2.905 9.295 ( -0.206 -2.059 0.832) 2.231 9.314 ( -0.519 -2.761 -0.732) 2.903 13.529 ( -2.057 11.443 -0.895) 11.661 13.615 ( 2.554 12.171 0.226) 12.438 13.768 ( -1.802 -10.548 0.405) 10.708 13.884 ( 2.833 -12.198 0.464) 12.532 17.025 ( -3.287 1.312 2.955) 4.611 17.051 ( -3.133 -1.137 5.087) 6.081 17.122 ( -9.110 1.473 -3.331) 9.811 17.146 ( -7.381 -0.671 -0.501) 7.428 17.402 ( 2.432 3.001 -0.212) 3.869 17.434 ( 3.655 0.702 4.185) 5.601 17.519 ( -0.067 -0.109 -2.991) 2.993 17.559 ( -1.607 -3.279 1.354) 3.895 17.616 ( -1.314 -0.204 -0.989) 1.657 17.619 ( -0.671 -1.156 -1.314) 1.875 17.986 ( 4.645 0.927 -1.755) 5.052 18.002 ( 4.794 -0.436 -2.934) 5.638 18.075 ( -3.251 0.776 -2.801) 4.361 18.100 ( -2.707 -1.351 -2.564) 3.965 18.190 ( 2.765 1.305 0.957) 3.203 18.217 ( 2.097 -1.186 0.374) 2.438 18.803 ( -2.342 0.253 0.900) 2.522 18.825 ( -2.928 -1.838 1.157) 3.645 18.940 ( 1.793 2.458 -0.644) 3.110 19.014 ( 1.030 -4.545 -1.120) 4.793 19.445 ( -3.881 0.414 1.723) 4.267 19.500 ( -4.179 -4.746 2.569) 6.826 19.798 ( 6.676 3.211 0.375) 7.417 19.856 ( 5.689 -2.490 -0.546) 6.234 ======================= Grid point 89 (47/80) ======================= q-point: ( 0.33 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( -6.956 8.184 0.777) 10.769 1.732 ( -10.876 -10.278 1.823) 15.075 1.949 ( -6.501 0.906 -5.086) 8.304 1.981 ( -0.680 3.927 -3.540) 5.331 2.061 ( -1.773 0.696 -2.511) 3.152 2.150 ( -1.345 0.379 3.618) 3.878 2.268 ( 5.252 8.994 1.605) 10.539 2.430 ( -1.476 3.094 0.794) 3.519 2.525 ( -3.449 -3.328 -0.056) 4.793 2.605 ( 5.220 -5.228 2.642) 7.847 2.631 ( 2.320 5.800 -0.993) 6.325 2.728 ( -2.375 -1.437 -5.247) 5.936 2.863 ( 0.919 3.749 4.183) 5.692 2.946 ( -0.793 3.681 2.003) 4.265 3.030 ( 0.059 -1.136 -0.255) 1.165 3.165 ( -2.898 -2.228 2.018) 4.175 3.299 ( -1.362 4.458 6.392) 7.912 3.334 ( 0.595 3.128 -5.863) 6.672 3.393 ( 0.457 -3.375 -7.207) 7.971 3.454 ( 0.813 -4.073 1.556) 4.435 3.651 ( -5.022 5.035 0.688) 7.144 3.715 ( -3.150 -2.408 2.454) 4.662 3.782 ( 3.630 3.541 0.193) 5.075 3.929 ( 1.881 -5.553 -0.422) 5.878 3.980 ( 4.556 3.168 -3.949) 6.811 4.071 ( 0.182 -0.830 -1.594) 1.806 4.095 ( 1.134 6.689 1.457) 6.939 4.175 ( 2.025 0.559 -1.014) 2.333 4.236 ( -1.258 -1.273 4.743) 5.069 4.249 ( -2.634 -3.223 5.087) 6.573 4.284 ( -1.531 1.303 4.576) 4.998 4.350 ( 0.538 -2.838 3.497) 4.536 4.590 ( 2.388 0.794 -1.535) 2.948 4.657 ( 0.419 -4.897 -2.183) 5.378 4.855 ( 1.776 3.397 -2.181) 4.410 4.931 ( 1.029 -3.172 -3.049) 4.519 5.127 ( 1.034 5.819 1.303) 6.052 5.249 ( 2.039 -4.914 0.381) 5.334 5.302 ( 2.456 -0.319 0.915) 2.640 5.339 ( 2.658 -3.613 0.398) 4.503 5.482 ( 0.848 0.546 -2.239) 2.456 5.543 ( 1.647 -5.508 -1.239) 5.881 5.784 ( -0.911 0.537 0.658) 1.246 5.820 ( -1.563 -2.530 1.102) 3.171 6.064 ( -4.229 6.935 -9.483) 12.486 6.211 ( -4.085 -6.523 -9.626) 12.325 6.280 ( -2.605 6.591 6.013) 9.294 6.409 ( 1.119 -2.316 4.264) 4.980 6.496 ( 3.769 -1.156 5.603) 6.851 6.510 ( 1.048 -3.216 4.059) 5.284 6.645 ( 0.891 2.844 -1.698) 3.431 6.732 ( -1.701 -4.328 -7.425) 8.762 6.881 ( -2.705 2.665 3.159) 4.940 6.941 ( -2.680 -3.076 4.372) 5.980 7.066 ( -0.191 5.562 -0.227) 5.569 7.187 ( -0.462 -5.769 0.522) 5.811 7.370 ( 2.458 2.521 -2.712) 4.445 7.401 ( 1.961 -0.819 -0.927) 2.319 7.486 ( 1.404 2.049 -1.706) 3.013 7.541 ( 1.589 -2.683 -0.255) 3.129 7.749 ( -0.791 2.976 2.688) 4.088 7.774 ( -1.035 0.855 2.448) 2.793 7.855 ( -1.180 -1.193 -1.910) 2.542 7.862 ( -0.686 -1.584 0.313) 1.754 7.975 ( 2.133 0.301 -1.948) 2.905 7.995 ( 2.020 -1.308 -1.587) 2.883 8.212 ( 2.300 2.577 0.238) 3.462 8.250 ( 1.477 0.488 1.778) 2.362 8.276 ( -0.627 0.889 -2.777) 2.982 8.316 ( -1.731 -1.571 0.879) 2.498 8.372 ( 0.323 3.341 0.624) 3.414 8.449 ( 0.614 -3.601 -0.265) 3.663 8.552 ( -0.513 0.949 1.104) 1.543 8.565 ( 1.181 -0.740 1.320) 1.919 8.690 ( -0.990 1.558 -0.516) 1.917 8.735 ( -1.702 -2.575 -1.379) 3.381 9.195 ( 0.388 3.900 -0.104) 3.920 9.217 ( 0.841 2.673 -0.448) 2.838 9.293 ( -0.446 -2.490 0.225) 2.540 9.309 ( -0.048 -3.447 0.541) 3.490 13.490 ( -1.087 11.911 -0.083) 11.961 13.654 ( 1.463 11.842 -1.045) 11.978 13.746 ( -0.987 -10.025 1.091) 10.132 13.933 ( 1.814 -12.174 -0.518) 12.319 16.953 ( -4.663 0.302 0.164) 4.676 16.962 ( -4.055 -0.493 0.110) 4.087 17.045 ( -3.473 -0.339 5.147) 6.219 17.061 ( -4.096 -1.832 5.433) 7.046 17.424 ( -1.741 1.509 -2.032) 3.072 17.443 ( -4.052 -0.521 -2.009) 4.553 17.487 ( -0.553 1.273 -0.245) 1.410 17.517 ( -0.271 -1.664 -3.214) 3.630 17.629 ( 4.464 1.870 1.155) 4.976 17.670 ( 3.496 -2.082 1.036) 4.199 17.974 ( -1.697 0.852 -1.345) 2.327 18.000 ( -1.977 -1.356 -0.113) 2.400 18.051 ( 2.798 0.266 -3.058) 4.154 18.063 ( 2.137 -1.012 -3.147) 3.936 18.250 ( 1.581 1.084 0.667) 2.030 18.259 ( 1.230 0.246 -0.067) 1.256 18.775 ( -1.519 -0.520 1.096) 1.944 18.788 ( -2.200 -1.802 1.526) 3.227 18.970 ( 1.843 1.451 -0.661) 2.437 19.012 ( -0.094 -2.609 -1.054) 2.815 19.410 ( -1.722 0.078 2.800) 3.288 19.456 ( -3.213 -4.194 3.667) 6.431 19.907 ( 4.499 1.944 -1.848) 5.238 19.934 ( 3.490 -0.820 -2.887) 4.603 ======================= Grid point 90 (48/80) ======================= q-point: (-0.50 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( 0.985 2.348 -0.609) 2.618 1.587 ( -4.520 -9.708 1.685) 10.841 1.823 ( 0.664 6.992 -8.370) 10.927 1.944 ( 2.705 -4.723 -3.582) 6.516 2.142 ( 5.375 5.671 6.178) 9.961 2.197 ( 0.115 0.210 6.732) 6.737 2.277 ( -2.599 3.859 0.735) 4.710 2.398 ( -3.130 -5.009 -2.323) 6.347 2.471 ( 1.255 9.167 -1.384) 9.355 2.611 ( -1.917 -1.193 -3.569) 4.223 2.732 ( 4.439 2.320 2.309) 5.515 2.774 ( 6.103 0.822 4.134) 7.417 2.846 ( -5.258 12.263 0.743) 13.364 2.922 ( -0.999 0.652 -1.465) 1.890 3.016 ( 0.970 -9.325 -6.375) 11.338 3.084 ( -4.671 -7.745 0.377) 9.053 3.126 ( -7.524 8.174 -3.754) 11.727 3.265 ( -3.306 -4.802 -6.488) 8.722 3.493 ( 6.501 2.418 0.530) 6.956 3.512 ( 4.709 1.427 -0.983) 5.017 3.652 ( -1.457 0.580 6.997) 7.171 3.696 ( -1.598 -3.002 4.580) 5.705 3.871 ( 5.050 2.613 -0.437) 5.703 3.911 ( -0.872 2.200 -4.313) 4.920 4.012 ( -2.167 5.615 1.604) 6.229 4.062 ( 1.718 0.939 -0.888) 2.150 4.126 ( 2.367 -0.148 -0.494) 2.422 4.184 ( -1.096 -3.940 1.299) 4.291 4.224 ( -2.143 1.509 5.743) 6.313 4.277 ( -3.414 -4.770 8.417) 10.259 4.329 ( -1.725 3.754 6.499) 7.701 4.417 ( 0.994 -0.971 5.043) 5.231 4.634 ( 2.527 0.522 -0.970) 2.757 4.663 ( 2.294 -3.966 -1.282) 4.757 4.837 ( -0.282 1.773 -4.186) 4.555 4.878 ( -1.006 -1.395 -5.771) 6.022 5.183 ( 1.230 3.557 3.932) 5.443 5.272 ( -0.560 -4.168 0.740) 4.271 5.340 ( -0.149 -1.227 1.438) 1.896 5.365 ( -0.863 -3.642 -0.334) 3.757 5.486 ( 1.579 1.688 -1.864) 2.970 5.546 ( -0.017 -4.524 -2.425) 5.133 5.778 ( 0.611 1.894 0.214) 2.002 5.813 ( -0.020 -1.395 1.441) 2.006 5.926 ( -0.161 2.378 -5.603) 6.089 6.032 ( -1.683 -6.744 -12.253) 14.087 6.238 ( -3.381 5.548 -7.627) 10.019 6.349 ( -4.296 -4.941 -10.865) 12.686 6.506 ( 1.295 6.142 9.193) 11.132 6.641 ( 0.568 -6.670 10.771) 12.681 6.686 ( 1.475 2.410 1.749) 3.323 6.739 ( 1.515 -2.559 0.199) 2.981 6.920 ( 2.082 2.758 6.131) 7.038 6.978 ( 1.586 -2.323 5.102) 5.826 7.076 ( 0.631 4.753 1.514) 5.028 7.178 ( -0.565 -4.855 0.151) 4.890 7.375 ( -0.291 2.492 -0.826) 2.641 7.424 ( 0.683 -2.432 -1.699) 3.044 7.490 ( 2.545 2.473 -2.331) 4.246 7.554 ( 0.709 -3.189 -1.915) 3.787 7.735 ( -1.843 2.738 1.415) 3.591 7.763 ( -2.534 1.193 2.211) 3.569 7.838 ( 0.163 -0.091 -0.739) 0.762 7.872 ( -0.115 -2.193 1.244) 2.524 7.989 ( 1.272 0.614 -2.821) 3.155 8.007 ( 1.016 -1.018 -1.971) 2.440 8.214 ( -1.163 1.181 -1.453) 2.204 8.233 ( -1.398 -0.003 -2.562) 2.919 8.280 ( 0.949 1.438 1.159) 2.076 8.313 ( 0.873 -0.793 1.304) 1.759 8.370 ( -0.919 3.216 -0.065) 3.346 8.434 ( -0.990 -3.208 -2.389) 4.121 8.553 ( -0.900 1.930 1.510) 2.611 8.588 ( -0.868 -1.173 1.369) 2.001 8.679 ( 0.073 0.323 -1.026) 1.079 8.704 ( 1.388 -1.976 -1.322) 2.752 9.203 ( 0.235 3.705 0.335) 3.728 9.237 ( 1.113 2.152 0.334) 2.446 9.290 ( -0.462 -2.291 0.636) 2.422 9.314 ( -0.012 -3.140 0.642) 3.205 13.493 ( 0.705 12.166 1.406) 12.267 13.646 ( -0.287 12.317 -2.547) 12.581 13.755 ( 0.095 -10.507 2.303) 10.757 13.932 ( -0.525 -12.399 -2.233) 12.609 16.942 ( 1.821 -0.103 3.770) 4.188 16.957 ( 1.896 -1.415 3.315) 4.073 17.034 ( -3.022 -0.141 5.217) 6.031 17.051 ( -3.050 -1.644 5.789) 6.747 17.319 ( -2.616 0.475 -6.119) 6.672 17.321 ( -2.773 0.362 -6.464) 7.043 17.492 ( 1.848 -0.353 -5.137) 5.471 17.499 ( 2.501 -0.778 -3.726) 4.554 17.717 ( 0.601 0.739 4.462) 4.562 17.734 ( -0.346 -0.726 4.536) 4.607 17.980 ( 2.129 1.308 1.857) 3.113 18.006 ( 1.224 -0.934 2.285) 2.755 18.068 ( 2.190 -0.194 -2.910) 3.648 18.071 ( 1.862 -0.453 -3.261) 3.782 18.249 ( -1.469 0.793 -1.252) 2.087 18.250 ( -0.871 0.700 -1.853) 2.164 18.767 ( -0.874 -0.911 1.515) 1.971 18.775 ( -0.279 -1.492 1.284) 1.988 18.991 ( -0.827 -0.244 -1.083) 1.384 18.994 ( 1.403 -0.585 -0.925) 1.780 19.439 ( 0.375 -1.153 5.209) 5.349 19.461 ( -1.508 -3.092 6.126) 7.026 19.903 ( -0.860 1.996 -5.637) 6.041 19.931 ( 0.477 -0.805 -5.169) 5.253 ======================= Grid point 91 (49/80) ======================= q-point: (-0.33 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( 6.331 0.201 1.606) 6.535 1.620 ( 6.082 -7.757 0.827) 9.892 1.776 ( 2.660 13.995 -8.290) 16.482 1.989 ( 3.156 -3.879 -3.921) 6.354 2.220 ( -1.568 0.158 1.467) 2.153 2.254 ( 2.765 -1.394 -0.937) 3.235 2.300 ( -2.997 5.037 3.686) 6.923 2.368 ( 2.221 1.340 5.481) 6.064 2.500 ( 1.745 5.545 0.046) 5.813 2.597 ( 4.503 -1.212 3.169) 5.638 2.676 ( -3.994 2.573 -7.028) 8.484 2.846 ( 6.502 4.050 -2.155) 7.957 2.890 ( -0.982 -8.620 -5.835) 10.455 2.898 ( -0.645 -0.183 2.631) 2.715 2.996 ( -2.714 8.553 1.704) 9.134 3.009 ( 2.990 6.865 6.620) 9.995 3.110 ( 4.127 -5.387 -1.364) 6.922 3.200 ( 1.182 -3.866 0.889) 4.139 3.518 ( -1.328 -0.501 -3.247) 3.544 3.550 ( 1.526 -1.151 -3.494) 3.982 3.662 ( -2.215 -0.984 0.115) 2.427 3.709 ( -2.102 -2.791 1.087) 3.659 3.821 ( -3.705 9.433 -1.666) 10.271 3.954 ( 0.629 3.936 -1.597) 4.294 4.005 ( 1.915 1.839 3.307) 4.241 4.060 ( -2.616 -2.333 -0.203) 3.511 4.131 ( -3.262 -0.795 1.971) 3.893 4.208 ( 2.656 -3.517 -1.489) 4.652 4.254 ( -1.295 -0.204 8.620) 8.719 4.284 ( -3.078 -2.673 6.543) 7.709 4.344 ( -2.406 6.659 4.432) 8.353 4.465 ( -1.223 -4.011 4.014) 5.805 4.644 ( -0.906 1.444 0.008) 1.704 4.709 ( 2.306 -4.422 -0.536) 5.016 4.760 ( -1.555 3.504 -5.312) 6.550 4.824 ( 1.279 -1.974 -4.284) 4.887 5.238 ( -0.252 0.271 2.906) 2.930 5.242 ( -3.557 -0.820 1.010) 3.787 5.303 ( -2.718 0.549 -0.992) 2.945 5.347 ( 0.290 -3.551 2.541) 4.376 5.479 ( -1.475 -0.907 -3.763) 4.142 5.510 ( 0.539 -3.246 -1.330) 3.549 5.791 ( 1.115 2.187 -1.193) 2.729 5.831 ( -0.064 -0.954 -4.104) 4.214 5.924 ( 0.729 -1.026 -2.214) 2.546 5.954 ( 2.202 -2.957 2.654) 4.543 6.095 ( -1.786 -0.520 -7.666) 7.888 6.127 ( -5.593 -3.483 -10.666) 12.537 6.658 ( 0.887 5.328 10.481) 11.791 6.715 ( 3.858 1.062 0.773) 4.075 6.746 ( 0.780 -1.032 -1.230) 1.785 6.789 ( 3.296 -4.769 7.197) 9.242 7.029 ( 3.030 1.965 0.708) 3.680 7.057 ( 2.480 -0.248 1.157) 2.748 7.108 ( 0.153 4.456 3.184) 5.479 7.184 ( 1.290 -2.339 0.718) 2.766 7.324 ( -2.956 3.417 -2.281) 5.061 7.409 ( -0.374 -3.859 -1.041) 4.015 7.528 ( 2.056 0.908 -2.243) 3.175 7.559 ( 2.965 -1.752 -1.838) 3.903 7.694 ( -4.554 3.055 3.065) 6.282 7.743 ( -2.518 -1.440 2.859) 4.073 7.823 ( -0.713 0.368 -1.689) 1.870 7.862 ( -0.781 -2.883 -0.735) 3.076 7.972 ( -0.208 1.743 -1.935) 2.613 7.999 ( 0.192 -0.891 -1.323) 1.607 8.143 ( -4.033 0.710 -1.472) 4.352 8.166 ( -3.245 -0.922 -1.384) 3.646 8.317 ( -0.033 3.087 1.309) 3.353 8.355 ( 1.343 1.554 -0.832) 2.216 8.372 ( 2.903 -0.419 1.480) 3.285 8.392 ( 0.061 -2.940 -2.076) 3.599 8.543 ( -1.557 0.131 0.998) 1.854 8.559 ( -2.301 -1.368 0.848) 2.808 8.695 ( 1.704 1.969 0.020) 2.604 8.733 ( 2.130 -1.529 -1.283) 2.919 9.209 ( 0.001 2.730 0.392) 2.758 9.254 ( 0.718 0.284 -1.143) 1.379 9.286 ( -0.829 -0.300 1.518) 1.755 9.326 ( 0.526 -2.386 0.605) 2.517 13.536 ( 1.482 11.940 2.016) 12.199 13.600 ( -1.128 12.780 -3.054) 13.188 13.785 ( -0.030 -10.928 2.570) 11.226 13.883 ( -1.422 -12.868 -2.491) 13.184 17.029 ( -1.611 0.163 4.230) 4.529 17.039 ( -1.717 -0.759 5.532) 5.842 17.094 ( 7.373 1.225 6.006) 9.588 17.112 ( 5.311 -0.583 6.331) 8.285 17.236 ( 1.448 0.200 -6.864) 7.018 17.247 ( 2.778 -0.764 -5.776) 6.454 17.481 ( 2.596 -0.434 -5.506) 6.103 17.499 ( 2.121 -2.002 -5.235) 5.992 17.733 ( -3.198 0.641 4.747) 5.760 17.749 ( -3.076 -0.768 5.139) 6.038 18.021 ( -1.520 1.769 -2.161) 3.180 18.043 ( 0.388 -0.124 -0.765) 0.867 18.077 ( 2.462 0.269 -2.821) 3.754 18.086 ( 2.740 -0.316 -2.557) 3.761 18.193 ( -1.776 1.463 -0.602) 2.378 18.220 ( -0.073 -0.923 0.237) 0.955 18.775 ( 0.410 0.286 1.289) 1.382 18.804 ( 1.416 -2.263 1.823) 3.232 18.962 ( -1.035 1.475 -0.861) 1.997 19.005 ( 0.871 -2.723 -1.234) 3.114 19.506 ( -1.310 -2.056 7.242) 7.641 19.510 ( 0.183 -2.406 6.420) 6.858 19.793 ( -3.268 3.208 -6.656) 8.079 19.852 ( -2.084 -2.468 -6.248) 7.034 ======================= Grid point 92 (50/80) ======================= q-point: (-0.17 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( 3.398 8.710 1.393) 9.452 1.774 ( 7.315 2.746 3.829) 8.701 1.819 ( 8.131 1.013 0.461) 8.207 1.986 ( 0.073 2.140 -1.347) 2.530 2.139 ( -4.050 -0.531 -2.791) 4.947 2.218 ( 2.119 15.428 -6.854) 17.014 2.279 ( -3.881 -6.051 -0.105) 7.190 2.488 ( 3.268 -4.025 1.065) 5.293 2.567 ( 4.469 -1.824 0.772) 4.888 2.653 ( 4.524 2.359 -0.937) 5.188 2.757 ( 4.643 -5.008 -0.414) 6.842 2.781 ( -3.127 -10.812 -3.074) 11.667 2.859 ( -4.690 13.634 7.992) 16.485 2.943 ( 3.993 5.535 0.204) 6.828 3.068 ( 5.272 0.105 -0.150) 5.275 3.109 ( -1.410 -3.557 0.643) 3.880 3.162 ( 3.295 6.558 5.076) 8.924 3.307 ( 3.979 -5.109 1.990) 6.774 3.432 ( -1.307 2.200 -4.376) 5.069 3.532 ( 1.781 -1.080 -5.319) 5.712 3.602 ( -2.556 3.419 -1.546) 4.540 3.658 ( -2.093 -3.208 1.937) 4.292 3.759 ( -2.991 10.654 3.407) 11.579 3.883 ( -4.921 -3.783 0.061) 6.208 3.921 ( -8.367 -3.472 -0.763) 9.091 4.072 ( -0.694 -10.473 0.216) 10.498 4.121 ( 0.458 6.568 1.168) 6.687 4.225 ( 0.667 -1.006 -1.542) 1.958 4.277 ( -0.763 2.937 0.589) 3.091 4.319 ( 0.145 2.844 3.020) 4.151 4.335 ( -1.401 1.013 1.401) 2.225 4.462 ( -1.695 -5.941 2.335) 6.604 4.596 ( -2.989 4.611 -0.487) 5.516 4.702 ( 0.681 -2.213 -2.188) 3.185 4.746 ( 0.839 0.643 -0.725) 1.282 4.826 ( 1.305 -4.117 -1.603) 4.607 5.169 ( -3.064 0.255 -0.221) 3.082 5.201 ( -2.248 -2.286 -0.289) 3.219 5.330 ( 2.161 4.636 3.272) 6.072 5.382 ( -2.203 1.347 -4.398) 5.100 5.394 ( 0.353 -2.906 -0.706) 3.011 5.524 ( 1.098 -8.770 -0.096) 8.838 5.773 ( 0.220 0.454 -1.135) 1.242 5.813 ( 0.430 -3.458 0.712) 3.557 5.892 ( -1.642 4.311 0.447) 4.635 5.984 ( -0.914 -2.796 -4.038) 4.996 6.044 ( 1.103 -2.514 5.766) 6.386 6.070 ( 1.591 -3.778 2.355) 4.728 6.712 ( -0.888 1.101 1.247) 1.886 6.719 ( -0.125 0.057 -2.009) 2.014 6.849 ( 4.365 3.326 1.736) 5.756 6.917 ( 3.593 -2.916 3.737) 5.948 7.017 ( -0.079 2.305 -5.565) 6.024 7.057 ( -1.811 -0.819 -1.161) 2.301 7.145 ( 0.947 4.984 -0.729) 5.125 7.237 ( 1.367 -3.352 0.283) 3.631 7.262 ( 0.632 6.048 -2.410) 6.541 7.382 ( -0.872 -4.539 -2.233) 5.133 7.527 ( 0.849 3.284 -2.692) 4.330 7.583 ( -0.201 -1.936 -1.635) 2.541 7.649 ( -3.705 2.647 4.472) 6.382 7.717 ( -2.951 -3.777 3.519) 5.946 7.808 ( 1.940 0.804 -0.487) 2.156 7.856 ( 1.803 -3.525 -1.085) 4.105 7.945 ( -0.362 2.668 -1.572) 3.118 7.996 ( 0.490 -1.746 -0.667) 1.932 8.062 ( -3.952 1.347 1.375) 4.396 8.109 ( -3.261 -2.261 3.049) 5.004 8.297 ( -1.303 3.037 -0.555) 3.351 8.364 ( 0.691 -2.474 -1.918) 3.206 8.407 ( 1.724 1.540 -0.468) 2.359 8.440 ( 1.240 -1.526 1.144) 2.275 8.520 ( -0.669 1.040 0.501) 1.334 8.544 ( -0.761 -1.336 1.656) 2.260 8.722 ( 0.822 1.843 0.100) 2.020 8.755 ( 1.457 -1.192 -0.970) 2.117 9.211 ( -0.032 1.852 -0.113) 1.855 9.242 ( -0.117 -0.650 -1.769) 1.888 9.291 ( -0.252 1.643 0.996) 1.938 9.338 ( 0.198 -2.385 0.046) 2.393 13.553 ( -0.285 13.941 -1.242) 13.999 13.582 ( 0.806 9.365 0.452) 9.411 13.790 ( -0.944 -9.561 0.861) 9.646 13.851 ( -0.515 -13.487 -0.327) 13.501 17.039 ( -1.945 0.375 4.672) 5.074 17.053 ( -2.578 -0.999 5.606) 6.251 17.189 ( 3.765 4.694 -3.271) 6.849 17.228 ( 4.927 3.171 -4.551) 7.419 17.345 ( 7.778 -2.246 4.720) 9.371 17.387 ( 8.354 -3.796 3.908) 9.973 17.472 ( 0.976 -0.371 -4.445) 4.566 17.487 ( 2.958 -1.601 -3.607) 4.932 17.704 ( -4.572 0.762 4.695) 6.598 17.720 ( -4.822 -0.612 4.337) 6.514 17.917 ( -3.209 2.371 -5.773) 7.017 17.960 ( -2.269 -1.440 -6.930) 7.433 18.094 ( 2.429 0.157 -2.828) 3.731 18.105 ( 1.846 -0.881 -2.213) 3.014 18.202 ( 0.266 2.215 1.706) 2.808 18.238 ( -0.115 -1.219 1.011) 1.588 18.808 ( 1.511 1.585 1.126) 2.463 18.852 ( 1.070 -2.141 1.827) 3.011 18.936 ( -0.751 1.847 -0.748) 2.129 19.003 ( 0.458 -4.387 -1.542) 4.673 19.533 ( -3.091 -1.335 5.898) 6.792 19.554 ( -1.980 -3.151 5.145) 6.350 19.686 ( -1.205 3.742 -4.009) 5.615 19.765 ( -0.596 -3.701 -4.091) 5.549 ======================= Grid point 117 (51/80) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( 10.001 0.000 24.131) 26.121 1.076 ( -12.065 0.000 26.347) 28.978 1.333 ( -8.929 0.000 -24.341) 25.927 1.463 ( -0.793 0.000 31.023) 31.033 1.587 ( 10.006 0.000 -23.306) 25.363 1.916 ( -2.354 0.000 -10.276) 10.542 2.212 ( -2.977 0.000 1.358) 3.272 2.269 ( 4.714 0.000 -3.937) 6.142 2.344 ( -6.592 0.000 -3.541) 7.483 2.356 ( -0.590 0.000 -0.466) 0.752 2.544 ( 1.303 0.000 10.262) 10.344 2.553 ( -7.933 0.000 5.240) 9.507 2.730 ( 10.149 0.000 -6.719) 12.172 2.795 ( 2.120 0.000 -11.518) 11.712 2.997 ( -3.238 0.000 4.487) 5.533 3.023 ( -3.427 0.000 4.733) 5.843 3.106 ( 3.039 0.000 -2.550) 3.968 3.176 ( 2.142 0.000 -6.338) 6.691 3.429 ( 0.411 0.000 0.864) 0.956 3.467 ( 1.814 0.000 0.100) 1.817 3.560 ( 1.374 0.000 8.030) 8.147 3.706 ( -1.817 0.000 -5.144) 5.456 3.810 ( 1.415 0.000 6.045) 6.208 3.905 ( -0.762 0.000 -2.233) 2.359 4.032 ( 4.548 0.000 0.690) 4.601 4.044 ( -1.490 0.000 2.769) 3.144 4.182 ( 2.097 0.000 -3.907) 4.434 4.199 ( -6.004 0.000 -3.406) 6.903 4.307 ( 4.571 0.000 2.870) 5.398 4.370 ( -0.248 0.000 0.777) 0.816 4.443 ( 0.293 0.000 -3.697) 3.709 4.495 ( 1.116 0.000 -4.274) 4.418 4.643 ( 0.156 0.000 3.685) 3.688 4.686 ( -1.634 0.000 -0.627) 1.750 4.797 ( -3.559 0.000 1.186) 3.752 4.814 ( 1.938 0.000 -1.050) 2.204 5.236 ( -4.403 0.000 5.427) 6.988 5.302 ( 4.507 0.000 1.543) 4.764 5.374 ( 0.673 0.000 3.868) 3.926 5.529 ( -3.316 0.000 -8.522) 9.144 5.815 ( -1.175 0.000 0.914) 1.488 5.870 ( -1.288 0.000 -4.919) 5.085 6.046 ( -4.254 0.000 2.460) 4.914 6.074 ( 5.079 0.000 -0.559) 5.110 6.213 ( 1.711 0.000 2.476) 3.009 6.286 ( -0.781 0.000 -3.448) 3.535 6.433 ( -2.513 0.000 3.988) 4.714 6.490 ( 1.165 0.000 -2.060) 2.367 6.608 ( 6.440 0.000 7.575) 9.943 6.661 ( -0.082 0.000 0.875) 0.879 6.722 ( 2.668 0.000 -4.112) 4.902 6.738 ( -4.548 0.000 -3.543) 5.765 6.892 ( -0.497 0.000 -0.242) 0.553 6.909 ( 1.629 0.000 -1.923) 2.520 7.249 ( 1.803 0.000 2.749) 3.288 7.277 ( -0.921 0.000 -0.592) 1.095 7.349 ( -0.092 0.000 2.363) 2.365 7.386 ( 0.839 0.000 -1.504) 1.722 7.570 ( 6.364 0.000 3.134) 7.094 7.616 ( -7.826 0.000 -0.685) 7.856 7.728 ( 0.690 0.000 0.011) 0.690 7.731 ( -0.759 0.000 -1.212) 1.430 7.761 ( -4.804 0.000 5.067) 6.982 7.845 ( 4.126 0.000 -2.891) 5.038 8.027 ( -3.178 0.000 -0.115) 3.180 8.039 ( 1.981 0.000 -1.190) 2.311 8.168 ( -1.373 0.000 2.536) 2.884 8.236 ( 0.010 0.000 -3.564) 3.564 8.270 ( 0.838 0.000 0.474) 0.963 8.290 ( 0.396 0.000 -1.567) 1.617 8.432 ( 0.714 0.000 1.381) 1.555 8.454 ( 0.431 0.000 -0.407) 0.592 8.503 ( -5.059 0.000 0.537) 5.088 8.549 ( 3.700 0.000 -3.190) 4.885 8.820 ( -2.256 0.000 1.518) 2.719 8.827 ( 2.934 0.000 0.899) 3.069 8.948 ( 1.938 0.000 1.435) 2.411 8.993 ( -3.131 0.000 -3.219) 4.491 9.451 ( 1.748 0.000 2.087) 2.723 9.479 ( -1.174 0.000 -0.933) 1.500 12.706 ( -0.238 0.000 0.128) 0.271 12.709 ( 0.254 0.000 -0.199) 0.323 14.311 ( -1.700 0.000 5.847) 6.089 14.437 ( 2.465 0.000 -6.951) 7.375 16.983 ( 2.205 0.000 6.179) 6.561 17.095 ( 0.811 0.000 5.220) 5.283 17.105 ( -1.014 0.000 -3.748) 3.883 17.136 ( -3.559 0.000 3.989) 5.346 17.147 ( -3.740 0.000 3.309) 4.994 17.256 ( -4.838 0.000 -3.860) 6.189 17.287 ( 4.172 0.000 -7.423) 8.515 17.304 ( 3.729 0.000 -6.901) 7.844 17.941 ( 1.605 0.000 9.126) 9.266 17.964 ( -0.472 0.000 3.479) 3.510 18.030 ( 0.233 0.000 -3.177) 3.186 18.081 ( -2.392 0.000 -4.995) 5.539 18.193 ( 0.119 0.000 0.925) 0.933 18.202 ( 0.548 0.000 -0.082) 0.554 18.261 ( -0.377 0.000 2.778) 2.804 18.306 ( 0.680 0.000 -1.797) 1.922 18.734 ( -0.721 0.000 0.882) 1.139 18.758 ( 0.680 0.000 -1.661) 1.795 19.216 ( -4.014 0.000 4.622) 6.122 19.306 ( 8.696 0.000 -4.344) 9.720 19.564 ( -0.394 0.000 6.165) 6.177 19.714 ( -2.051 0.000 -8.675) 8.914 19.932 ( -1.109 0.000 5.748) 5.854 20.032 ( 0.926 0.000 -4.362) 4.459 ======================= Grid point 118 (52/80) ======================= q-point: ( 0.17 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( 1.247 0.000 -19.575) 19.615 1.210 ( -3.634 0.000 23.301) 23.583 1.242 ( 4.823 0.000 25.932) 26.376 1.580 ( 14.383 0.000 -23.072) 27.188 1.841 ( 9.105 0.000 -16.261) 18.637 1.916 ( 13.288 0.000 17.678) 22.116 2.116 ( -8.015 0.000 1.015) 8.079 2.227 ( -8.151 0.000 5.051) 9.589 2.252 ( -13.481 0.000 9.546) 16.519 2.358 ( 10.013 0.000 -2.089) 10.228 2.520 ( 4.220 0.000 1.126) 4.367 2.712 ( 5.248 0.000 4.442) 6.875 2.721 ( 2.132 0.000 -11.660) 11.853 2.771 ( 2.214 0.000 -2.671) 3.469 2.986 ( -4.909 0.000 2.182) 5.372 3.042 ( 2.346 0.000 5.287) 5.784 3.135 ( 0.454 0.000 -7.689) 7.702 3.160 ( 1.575 0.000 -1.171) 1.963 3.448 ( 1.605 0.000 0.797) 1.792 3.449 ( -3.893 0.000 -3.741) 5.399 3.590 ( -1.370 0.000 -7.071) 7.202 3.628 ( -3.974 0.000 7.287) 8.300 3.820 ( -0.056 0.000 -3.955) 3.955 3.843 ( -3.653 0.000 1.032) 3.796 4.007 ( -2.426 0.000 -5.325) 5.852 4.100 ( 1.181 0.000 0.686) 1.366 4.118 ( 0.028 0.000 1.642) 1.642 4.269 ( 4.534 0.000 5.584) 7.193 4.292 ( -0.911 0.000 -4.045) 4.146 4.373 ( -3.181 0.000 -6.095) 6.875 4.432 ( 2.475 0.000 1.056) 2.691 4.453 ( 0.315 0.000 0.702) 0.770 4.635 ( -2.104 0.000 0.317) 2.128 4.655 ( -2.383 0.000 1.475) 2.802 4.796 ( 0.380 0.000 1.748) 1.789 4.893 ( 4.476 0.000 1.454) 4.706 5.184 ( -5.958 0.000 2.567) 6.487 5.304 ( -2.058 0.000 -3.196) 3.801 5.403 ( -0.715 0.000 -4.873) 4.925 5.495 ( 1.651 0.000 10.463) 10.592 5.758 ( -7.037 0.000 -0.090) 7.038 5.761 ( -5.339 0.000 2.400) 5.854 6.051 ( 2.216 0.000 1.282) 2.560 6.193 ( 5.206 0.000 0.808) 5.269 6.208 ( -1.875 0.000 -2.964) 3.507 6.229 ( -1.616 0.000 -1.625) 2.292 6.435 ( -0.458 0.000 4.392) 4.416 6.452 ( -4.784 0.000 -1.041) 4.895 6.561 ( -3.732 0.000 -6.956) 7.894 6.709 ( 1.965 0.000 -0.460) 2.018 6.720 ( 3.431 0.000 -1.464) 3.730 6.763 ( -0.151 0.000 1.085) 1.096 6.911 ( -2.420 0.000 0.330) 2.442 6.925 ( 3.895 0.000 0.171) 3.899 7.163 ( -4.218 0.000 -0.760) 4.286 7.273 ( -0.640 0.000 0.421) 0.766 7.297 ( -5.524 0.000 -0.342) 5.534 7.348 ( -0.011 0.000 -1.819) 1.819 7.516 ( -0.553 0.000 -0.631) 0.839 7.661 ( -0.706 0.000 0.227) 0.741 7.712 ( -0.599 0.000 -0.181) 0.625 7.718 ( -2.311 0.000 1.081) 2.551 7.752 ( -1.661 0.000 3.675) 4.033 7.901 ( 3.808 0.000 -3.755) 5.348 7.995 ( -0.892 0.000 1.286) 1.565 8.075 ( 1.597 0.000 0.265) 1.619 8.169 ( -2.940 0.000 3.686) 4.715 8.210 ( 0.903 0.000 -1.299) 1.581 8.288 ( 0.945 0.000 -0.991) 1.369 8.309 ( 3.308 0.000 0.740) 3.390 8.406 ( -4.420 0.000 -0.707) 4.476 8.455 ( 1.085 0.000 -0.998) 1.474 8.470 ( -0.681 0.000 2.236) 2.337 8.601 ( 3.757 0.000 -1.384) 4.004 8.768 ( -3.297 0.000 -0.465) 3.330 8.845 ( -1.451 0.000 -0.540) 1.548 8.950 ( 1.625 0.000 -1.246) 2.048 9.022 ( 2.585 0.000 3.652) 4.474 9.437 ( -1.530 0.000 -1.760) 2.331 9.488 ( 0.596 0.000 0.470) 0.758 12.704 ( -0.031 0.000 0.173) 0.176 12.713 ( 0.391 0.000 -0.203) 0.441 14.376 ( 1.224 0.000 7.652) 7.749 14.449 ( 5.747 0.000 -8.467) 10.233 17.055 ( 3.194 0.000 -6.626) 7.355 17.125 ( 5.014 0.000 4.554) 6.774 17.126 ( -2.310 0.000 5.079) 5.580 17.160 ( -2.150 0.000 7.256) 7.568 17.181 ( 3.003 0.000 1.976) 3.595 17.197 ( 1.353 0.000 -3.494) 3.747 17.277 ( 3.251 0.000 -7.208) 7.907 17.393 ( 9.207 0.000 1.298) 9.298 17.935 ( -4.832 0.000 -5.953) 7.667 17.948 ( -3.797 0.000 4.064) 5.562 17.985 ( -3.067 0.000 -4.423) 5.382 18.037 ( -1.151 0.000 6.535) 6.635 18.204 ( 0.154 0.000 -0.583) 0.603 18.214 ( 1.800 0.000 0.008) 1.800 18.273 ( -1.027 0.000 2.332) 2.548 18.298 ( 0.486 0.000 -2.459) 2.507 18.753 ( 1.836 0.000 1.226) 2.207 18.771 ( 1.971 0.000 -1.088) 2.251 19.104 ( -8.654 0.000 0.304) 8.660 19.274 ( -4.108 0.000 -5.744) 7.062 19.620 ( 0.055 0.000 -5.229) 5.229 19.671 ( 1.308 0.000 8.372) 8.473 19.951 ( -2.533 0.000 4.123) 4.839 19.985 ( -0.738 0.000 -4.136) 4.201 ======================= Grid point 119 (53/80) ======================= q-point: ( 0.33 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( 23.690 0.000 -0.748) 23.702 1.396 ( -2.075 0.000 20.317) 20.423 1.574 ( 6.648 0.000 15.813) 17.153 1.660 ( 10.288 0.000 -9.044) 13.698 1.927 ( 15.088 0.000 -14.490) 20.919 1.948 ( -13.914 0.000 10.022) 17.147 1.961 ( -9.596 0.000 5.448) 11.035 2.167 ( -4.599 0.000 10.674) 11.622 2.301 ( 7.661 0.000 -4.320) 8.795 2.461 ( 3.835 0.000 -6.735) 7.750 2.642 ( -0.191 0.000 -11.811) 11.813 2.645 ( -3.428 0.000 -6.170) 7.059 2.851 ( 17.471 0.000 11.773) 21.068 2.854 ( -8.090 0.000 0.657) 8.117 2.920 ( 1.485 0.000 0.781) 1.678 2.982 ( -7.110 0.000 -3.780) 8.053 3.031 ( -9.734 0.000 -10.011) 13.963 3.131 ( 3.252 0.000 -0.462) 3.285 3.284 ( -6.132 0.000 4.837) 7.811 3.544 ( 8.020 0.000 -0.073) 8.020 3.613 ( -3.755 0.000 8.523) 9.313 3.623 ( 8.094 0.000 -3.345) 8.758 3.737 ( -4.584 0.000 -3.443) 5.733 3.764 ( -8.306 0.000 -8.635) 11.982 3.906 ( 3.707 0.000 0.558) 3.749 4.113 ( -1.469 0.000 1.042) 1.801 4.142 ( 2.008 0.000 -0.044) 2.008 4.291 ( -0.473 0.000 3.296) 3.330 4.293 ( 0.863 0.000 -4.526) 4.607 4.408 ( 3.706 0.000 -0.262) 3.715 4.463 ( -1.241 0.000 4.004) 4.191 4.503 ( 4.581 0.000 0.135) 4.583 4.605 ( -0.298 0.000 1.614) 1.641 4.606 ( -1.384 0.000 -2.087) 2.504 4.872 ( 2.148 0.000 6.404) 6.754 4.952 ( -0.771 0.000 2.574) 2.687 5.015 ( -7.920 0.000 -6.011) 9.943 5.168 ( -6.746 0.000 -5.908) 8.967 5.423 ( 0.959 0.000 1.648) 1.906 5.617 ( -2.722 0.000 11.719) 12.031 5.656 ( -1.970 0.000 4.394) 4.815 5.678 ( -1.887 0.000 -1.186) 2.228 6.125 ( 3.131 0.000 1.693) 3.559 6.144 ( -4.479 0.000 -3.166) 5.485 6.177 ( -2.646 0.000 -0.763) 2.753 6.255 ( 2.055 0.000 -3.089) 3.710 6.299 ( -7.388 0.000 3.977) 8.390 6.407 ( 2.113 0.000 -5.085) 5.506 6.588 ( 3.478 0.000 5.911) 6.858 6.695 ( -6.531 0.000 4.525) 7.945 6.738 ( 1.486 0.000 -1.061) 1.826 6.754 ( 3.286 0.000 -6.168) 6.989 6.878 ( -0.035 0.000 -1.943) 1.944 7.024 ( 5.116 0.000 -0.320) 5.126 7.101 ( -6.792 0.000 -9.709) 11.849 7.183 ( 3.388 0.000 -2.037) 3.954 7.283 ( -0.818 0.000 2.018) 2.177 7.312 ( -0.138 0.000 -3.896) 3.899 7.549 ( 2.778 0.000 1.199) 3.025 7.613 ( -2.681 0.000 -0.375) 2.707 7.680 ( -3.066 0.000 2.534) 3.978 7.702 ( 0.419 0.000 -1.075) 1.154 7.761 ( -1.604 0.000 4.210) 4.505 7.903 ( 1.915 0.000 -4.883) 5.245 8.016 ( 1.119 0.000 2.539) 2.775 8.105 ( 1.365 0.000 -0.060) 1.366 8.136 ( -3.824 0.000 3.276) 5.035 8.213 ( -0.991 0.000 -0.068) 0.993 8.300 ( 1.158 0.000 -1.279) 1.725 8.303 ( -4.230 0.000 -1.282) 4.420 8.407 ( 4.275 0.000 1.917) 4.685 8.456 ( 0.481 0.000 -1.205) 1.297 8.476 ( -1.138 0.000 2.392) 2.649 8.648 ( 1.452 0.000 -0.667) 1.598 8.698 ( -1.835 0.000 -1.917) 2.654 8.801 ( -1.843 0.000 -0.982) 2.088 9.000 ( 3.157 0.000 0.947) 3.295 9.099 ( 0.778 0.000 3.866) 3.943 9.397 ( -0.352 0.000 -1.685) 1.722 9.482 ( -0.650 0.000 -1.465) 1.602 12.707 ( 0.053 0.000 0.259) 0.265 12.718 ( 0.273 0.000 -0.292) 0.400 14.469 ( -2.042 0.000 9.690) 9.903 14.497 ( 7.679 0.000 -6.677) 10.176 17.078 ( 4.074 0.000 -3.972) 5.690 17.135 ( -2.519 0.000 5.440) 5.995 17.185 ( 1.263 0.000 -2.803) 3.074 17.190 ( -0.789 0.000 5.287) 5.346 17.222 ( 1.309 0.000 -3.920) 4.133 17.243 ( 5.305 0.000 -0.876) 5.376 17.321 ( 4.066 0.000 0.310) 4.078 17.615 ( 7.637 0.000 4.715) 8.975 17.734 ( -6.775 0.000 -10.826) 12.771 17.897 ( -4.861 0.000 2.174) 5.325 17.909 ( -0.051 0.000 -0.453) 0.455 18.038 ( -3.757 0.000 3.940) 5.445 18.201 ( 0.153 0.000 -0.355) 0.387 18.254 ( 2.234 0.000 -0.975) 2.438 18.269 ( -1.943 0.000 2.677) 3.308 18.274 ( -0.095 0.000 -2.404) 2.406 18.813 ( 3.088 0.000 -0.056) 3.088 18.829 ( 4.526 0.000 1.098) 4.657 18.972 ( -4.137 0.000 -0.190) 4.141 19.099 ( -7.988 0.000 -3.871) 8.876 19.609 ( 2.644 0.000 -2.134) 3.398 19.722 ( -4.077 0.000 5.922) 7.189 19.927 ( -2.642 0.000 2.239) 3.463 19.941 ( 0.028 0.000 -2.471) 2.471 ======================= Grid point 120 (54/80) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( -14.650 0.000 16.989) 22.433 1.589 ( -19.882 0.000 13.039) 23.777 1.665 ( 25.375 0.000 6.630) 26.227 1.760 ( 11.365 0.000 -11.571) 16.219 1.974 ( 2.027 0.000 12.023) 12.192 2.001 ( -1.048 0.000 8.648) 8.711 2.097 ( 12.245 0.000 -5.366) 13.369 2.127 ( -17.598 0.000 -6.874) 18.893 2.265 ( 3.295 0.000 6.475) 7.265 2.279 ( -5.952 0.000 -9.997) 11.635 2.476 ( -6.619 0.000 -6.632) 9.369 2.577 ( 5.623 0.000 -7.636) 9.483 2.738 ( -9.540 0.000 1.900) 9.728 2.823 ( 1.383 0.000 -4.310) 4.527 2.867 ( 6.294 0.000 -1.180) 6.403 2.911 ( -1.127 0.000 -4.565) 4.702 3.164 ( 4.115 0.000 1.709) 4.456 3.176 ( -0.121 0.000 -1.382) 1.388 3.347 ( 7.048 0.000 7.232) 10.098 3.466 ( -9.597 0.000 -5.003) 10.823 3.606 ( -7.046 0.000 0.374) 7.056 3.640 ( 0.522 0.000 0.772) 0.932 3.712 ( 5.715 0.000 -1.394) 5.883 3.756 ( 6.315 0.000 -4.045) 7.499 4.057 ( 6.794 0.000 4.160) 7.967 4.104 ( -2.361 0.000 3.186) 3.966 4.166 ( 1.877 0.000 -1.925) 2.689 4.230 ( -2.529 0.000 -4.062) 4.785 4.302 ( -1.204 0.000 3.176) 3.397 4.386 ( -1.026 0.000 -5.769) 5.860 4.490 ( -0.928 0.000 4.372) 4.470 4.547 ( -0.441 0.000 0.591) 0.737 4.657 ( 7.959 0.000 -0.121) 7.960 4.710 ( 1.640 0.000 4.091) 4.408 4.769 ( -3.020 0.000 -2.264) 3.775 4.884 ( -6.719 0.000 -4.774) 8.242 4.986 ( -0.296 0.000 3.904) 3.915 5.022 ( -0.981 0.000 -1.073) 1.454 5.475 ( 4.918 0.000 2.386) 5.466 5.527 ( -5.371 0.000 -2.171) 5.793 5.785 ( 3.134 0.000 10.304) 10.770 5.799 ( 6.241 0.000 8.462) 10.515 5.951 ( -11.560 0.000 -4.016) 12.238 6.009 ( -1.482 0.000 -7.754) 7.894 6.210 ( 2.519 0.000 0.205) 2.527 6.233 ( -1.106 0.000 -3.102) 3.293 6.412 ( 5.248 0.000 10.941) 12.135 6.463 ( 3.717 0.000 -0.040) 3.717 6.588 ( -7.529 0.000 1.369) 7.652 6.679 ( -1.510 0.000 6.044) 6.230 6.732 ( -0.195 0.000 -4.478) 4.482 6.736 ( -0.502 0.000 -0.830) 0.970 6.855 ( 0.639 0.000 -4.775) 4.818 6.878 ( -0.238 0.000 -10.834) 10.836 7.119 ( 2.065 0.000 0.991) 2.291 7.166 ( -1.795 0.000 -4.030) 4.412 7.283 ( -0.989 0.000 1.491) 1.789 7.306 ( 1.602 0.000 -1.221) 2.014 7.575 ( -1.973 0.000 1.180) 2.299 7.600 ( 1.413 0.000 -0.787) 1.617 7.666 ( -0.808 0.000 2.696) 2.815 7.707 ( 1.504 0.000 -1.651) 2.234 7.773 ( -2.502 0.000 6.035) 6.533 7.886 ( 1.347 0.000 -5.149) 5.322 8.087 ( 3.154 0.000 3.061) 4.396 8.100 ( -2.788 0.000 3.023) 4.113 8.125 ( -0.355 0.000 -0.440) 0.566 8.155 ( -0.674 0.000 -2.404) 2.497 8.259 ( -0.884 0.000 0.719) 1.140 8.304 ( 1.400 0.000 -2.575) 2.931 8.455 ( -0.081 0.000 0.045) 0.093 8.467 ( -0.028 0.000 -0.016) 0.032 8.514 ( 2.981 0.000 3.999) 4.988 8.601 ( -1.425 0.000 -4.486) 4.706 8.712 ( 1.589 0.000 1.500) 2.185 8.750 ( -2.052 0.000 -2.050) 2.901 9.078 ( 2.720 0.000 2.619) 3.776 9.105 ( -2.525 0.000 0.581) 2.591 9.402 ( 1.307 0.000 0.733) 1.499 9.439 ( -1.564 0.000 -2.535) 2.979 12.711 ( -0.019 0.000 0.323) 0.323 12.717 ( 0.041 0.000 -0.367) 0.369 14.465 ( -6.984 0.000 7.353) 10.141 14.608 ( 10.092 0.000 -6.759) 12.146 17.110 ( 0.514 0.000 1.167) 1.275 17.134 ( -3.756 0.000 -2.335) 4.423 17.134 ( -2.639 0.000 4.518) 5.232 17.199 ( -0.478 0.000 -2.433) 2.480 17.268 ( 4.204 0.000 3.501) 5.471 17.337 ( -0.053 0.000 -3.872) 3.872 17.350 ( 4.291 0.000 3.167) 5.334 17.506 ( -4.329 0.000 -10.097) 10.985 17.776 ( 6.742 0.000 1.911) 7.008 17.805 ( -5.283 0.000 -0.690) 5.328 17.984 ( 5.212 0.000 1.493) 5.422 17.988 ( -4.033 0.000 1.287) 4.234 18.204 ( -0.102 0.000 0.781) 0.788 18.230 ( -1.245 0.000 -1.822) 2.206 18.255 ( -2.331 0.000 2.566) 3.467 18.292 ( 2.007 0.000 -1.145) 2.311 18.887 ( 2.957 0.000 1.087) 3.151 18.921 ( 0.939 0.000 -2.203) 2.394 18.925 ( -1.010 0.000 0.756) 1.262 18.930 ( -3.089 0.000 0.017) 3.089 19.650 ( -6.420 0.000 2.536) 6.902 19.685 ( 6.687 0.000 -0.970) 6.757 19.905 ( -1.827 0.000 1.768) 2.542 19.940 ( 1.911 0.000 -1.678) 2.543 ======================= Grid point 121 (55/80) ======================= q-point: (-0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( -30.591 0.000 -4.090) 30.863 1.257 ( -19.716 0.000 19.822) 27.958 1.541 ( -25.735 0.000 17.239) 30.975 1.807 ( 5.394 0.000 -18.867) 19.623 1.977 ( -0.071 0.000 -12.758) 12.758 2.099 ( 5.137 0.000 -5.470) 7.504 2.133 ( 7.626 0.000 4.551) 8.881 2.172 ( 0.281 0.000 -2.106) 2.124 2.310 ( 3.931 0.000 2.567) 4.695 2.332 ( 0.276 0.000 6.775) 6.780 2.424 ( -1.042 0.000 9.369) 9.427 2.554 ( 1.833 0.000 -4.391) 4.758 2.787 ( 5.146 0.000 8.275) 9.744 2.877 ( 2.324 0.000 4.068) 4.685 2.922 ( 9.796 0.000 -4.164) 10.644 2.990 ( 4.289 0.000 -4.514) 6.227 3.021 ( -10.582 0.000 -4.016) 11.319 3.195 ( 3.619 0.000 -4.425) 5.716 3.358 ( 1.178 0.000 -2.694) 2.940 3.476 ( -8.208 0.000 4.815) 9.516 3.594 ( 8.831 0.000 7.803) 11.784 3.601 ( -5.075 0.000 -1.391) 5.262 3.753 ( -0.579 0.000 -3.892) 3.935 3.755 ( 4.026 0.000 -4.328) 5.911 4.012 ( -1.099 0.000 -9.883) 9.944 4.131 ( -2.444 0.000 -2.038) 3.182 4.157 ( -0.741 0.000 -1.237) 1.442 4.229 ( 1.277 0.000 2.568) 2.868 4.316 ( -1.890 0.000 5.520) 5.835 4.345 ( 1.341 0.000 -0.669) 1.499 4.533 ( 1.367 0.000 4.474) 4.678 4.552 ( 1.488 0.000 -1.192) 1.906 4.561 ( -3.751 0.000 -6.315) 7.345 4.679 ( -4.668 0.000 -6.286) 7.830 4.876 ( 9.356 0.000 5.299) 10.752 4.939 ( 1.298 0.000 5.379) 5.533 5.011 ( -0.806 0.000 -5.627) 5.685 5.032 ( 4.449 0.000 6.718) 8.057 5.455 ( 0.569 0.000 -0.573) 0.807 5.633 ( 7.190 0.000 2.341) 7.562 5.724 ( -6.469 0.000 -2.334) 6.877 5.830 ( -0.175 0.000 -7.940) 7.942 5.968 ( 2.754 0.000 12.259) 12.564 6.112 ( 7.768 0.000 5.733) 9.655 6.161 ( -2.573 0.000 -2.786) 3.792 6.233 ( 0.478 0.000 0.862) 0.986 6.382 ( -5.167 0.000 -3.963) 6.511 6.415 ( -3.218 0.000 -6.783) 7.507 6.663 ( -2.544 0.000 1.777) 3.103 6.678 ( -2.558 0.000 2.303) 3.442 6.738 ( 5.387 0.000 1.152) 5.509 6.748 ( 2.107 0.000 7.724) 8.006 6.834 ( 4.426 0.000 2.616) 5.141 6.859 ( 1.353 0.000 -2.671) 2.994 7.059 ( -5.279 0.000 -2.085) 5.676 7.140 ( -0.697 0.000 1.875) 2.001 7.271 ( -1.235 0.000 0.447) 1.314 7.315 ( 0.501 0.000 -1.345) 1.435 7.547 ( -2.098 0.000 0.920) 2.291 7.612 ( 1.104 0.000 0.137) 1.113 7.681 ( 0.211 0.000 0.765) 0.793 7.727 ( 2.443 0.000 -1.906) 3.098 7.787 ( -2.912 0.000 6.976) 7.560 7.847 ( -0.098 0.000 -4.629) 4.630 8.069 ( -1.336 0.000 -2.454) 2.794 8.087 ( -1.180 0.000 1.819) 2.169 8.191 ( 3.592 0.000 2.875) 4.601 8.193 ( 3.940 0.000 -1.900) 4.374 8.256 ( -0.705 0.000 1.575) 1.725 8.310 ( 2.199 0.000 -2.234) 3.135 8.436 ( -1.876 0.000 -1.263) 2.261 8.461 ( -0.329 0.000 -0.145) 0.360 8.544 ( 0.656 0.000 -4.510) 4.557 8.621 ( 4.185 0.000 2.917) 5.101 8.682 ( -2.901 0.000 -1.572) 3.300 8.762 ( 1.251 0.000 2.685) 2.962 9.032 ( -3.918 0.000 -1.650) 4.251 9.135 ( 0.696 0.000 0.676) 0.970 9.386 ( -1.259 0.000 -1.073) 1.654 9.446 ( 1.349 0.000 1.992) 2.406 12.712 ( -0.182 0.000 0.299) 0.350 12.713 ( -0.081 0.000 -0.344) 0.353 14.382 ( -7.286 0.000 5.254) 8.983 14.690 ( 6.421 0.000 -12.368) 13.935 17.021 ( -6.312 0.000 1.128) 6.412 17.122 ( -2.592 0.000 5.201) 5.811 17.131 ( -1.269 0.000 2.706) 2.989 17.141 ( -4.822 0.000 1.457) 5.037 17.300 ( 2.320 0.000 -6.760) 7.147 17.349 ( 0.668 0.000 -1.767) 1.889 17.374 ( 0.479 0.000 -9.137) 9.149 17.509 ( 5.966 0.000 11.379) 12.848 17.698 ( -3.935 0.000 -3.177) 5.058 17.917 ( -2.795 0.000 -0.945) 2.950 17.920 ( 6.695 0.000 -0.184) 6.698 18.088 ( 4.960 0.000 -0.914) 5.043 18.194 ( -1.392 0.000 0.119) 1.397 18.211 ( -1.033 0.000 2.306) 2.527 18.233 ( -2.189 0.000 2.223) 3.120 18.312 ( 1.416 0.000 -1.547) 2.097 18.821 ( -3.763 0.000 -0.662) 3.820 18.851 ( -3.219 0.000 -1.042) 3.384 18.968 ( 1.738 0.000 -0.313) 1.766 19.027 ( 5.912 0.000 3.332) 6.786 19.575 ( -2.939 0.000 1.531) 3.314 19.807 ( 6.242 0.000 -2.495) 6.722 19.896 ( -0.977 0.000 2.031) 2.254 19.972 ( 3.366 0.000 -2.251) 4.050 ======================= Grid point 122 (56/80) ======================= q-point: (-0.17 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.637 ( -17.158 0.000 10.862) 20.307 1.109 ( -18.267 0.000 24.867) 30.856 1.361 ( -18.326 0.000 28.992) 34.298 1.680 ( 5.151 0.000 -22.703) 23.280 1.705 ( -5.504 0.000 -21.278) 21.978 2.068 ( -7.697 0.000 1.026) 7.766 2.195 ( 7.694 0.000 -4.487) 8.907 2.306 ( -8.233 0.000 3.319) 8.877 2.352 ( 3.707 0.000 -5.691) 6.791 2.352 ( 9.619 0.000 0.572) 9.636 2.529 ( 1.008 0.000 3.473) 3.616 2.580 ( -2.014 0.000 7.250) 7.525 2.689 ( -7.656 0.000 -8.928) 11.761 2.880 ( -2.737 0.000 -4.212) 5.023 2.948 ( 4.134 0.000 5.084) 6.552 2.999 ( 1.022 0.000 3.211) 3.370 3.161 ( 6.491 0.000 -0.995) 6.566 3.171 ( -1.481 0.000 -7.191) 7.342 3.395 ( 2.537 0.000 1.121) 2.773 3.430 ( -1.745 0.000 4.712) 5.025 3.494 ( -1.730 0.000 0.058) 1.731 3.735 ( 1.041 0.000 1.646) 1.948 3.751 ( 0.500 0.000 1.402) 1.488 3.830 ( 5.323 0.000 0.879) 5.395 3.962 ( 4.756 0.000 -5.533) 7.297 4.085 ( -2.172 0.000 2.150) 3.056 4.138 ( 0.965 0.000 -0.411) 1.049 4.265 ( 2.403 0.000 2.932) 3.791 4.313 ( -3.725 0.000 2.466) 4.467 4.321 ( -1.727 0.000 -4.617) 4.929 4.484 ( 1.481 0.000 -3.320) 3.636 4.535 ( -0.534 0.000 -8.016) 8.033 4.610 ( 0.492 0.000 2.539) 2.587 4.634 ( 3.687 0.000 3.104) 4.819 4.865 ( -4.117 0.000 -6.601) 7.780 4.906 ( -5.491 0.000 0.766) 5.544 5.119 ( 7.982 0.000 7.583) 11.010 5.203 ( 2.064 0.000 7.360) 7.644 5.417 ( -2.322 0.000 -4.941) 5.459 5.664 ( -2.437 0.000 -5.847) 6.334 5.765 ( 6.308 0.000 1.037) 6.393 5.847 ( 8.605 0.000 -6.014) 10.499 6.070 ( -3.128 0.000 -1.090) 3.313 6.075 ( -2.156 0.000 9.869) 10.102 6.195 ( -0.279 0.000 -2.001) 2.020 6.280 ( -0.429 0.000 -3.162) 3.191 6.369 ( 7.691 0.000 9.230) 12.015 6.398 ( 1.792 0.000 3.817) 4.217 6.553 ( -4.043 0.000 -4.454) 6.015 6.658 ( -1.377 0.000 1.590) 2.103 6.738 ( 0.286 0.000 -4.093) 4.103 6.828 ( -2.601 0.000 -0.179) 2.608 6.879 ( 4.556 0.000 1.230) 4.719 6.939 ( -3.191 0.000 -0.997) 3.344 7.151 ( 2.664 0.000 0.773) 2.774 7.173 ( 11.276 0.000 11.702) 16.251 7.282 ( 0.890 0.000 3.689) 3.795 7.309 ( 0.982 0.000 -0.988) 1.393 7.517 ( -0.784 0.000 -0.575) 0.972 7.646 ( 1.306 0.000 1.134) 1.730 7.700 ( 1.009 0.000 1.096) 1.490 7.753 ( 1.499 0.000 -2.500) 2.915 7.799 ( -3.198 0.000 6.554) 7.293 7.811 ( 1.129 0.000 -2.276) 2.540 8.036 ( 0.422 0.000 -2.472) 2.508 8.077 ( -1.303 0.000 0.314) 1.341 8.230 ( -0.845 0.000 -2.470) 2.611 8.236 ( 3.057 0.000 -3.124) 4.371 8.263 ( -0.557 0.000 1.606) 1.700 8.321 ( -2.889 0.000 -0.863) 3.015 8.395 ( 2.013 0.000 -0.041) 2.013 8.454 ( -0.050 0.000 -0.381) 0.384 8.531 ( 1.798 0.000 -3.538) 3.969 8.596 ( -3.958 0.000 -1.267) 4.156 8.738 ( 4.157 0.000 2.672) 4.942 8.810 ( 0.653 0.000 2.893) 2.966 8.948 ( -2.544 0.000 -0.896) 2.698 9.094 ( -2.988 0.000 -3.461) 4.573 9.395 ( 1.243 0.000 2.252) 2.573 9.484 ( 0.789 0.000 0.919) 1.211 12.709 ( -0.000 0.000 -0.273) 0.273 12.710 ( -0.304 0.000 0.195) 0.361 14.317 ( -4.780 0.000 5.415) 7.223 14.565 ( -4.246 0.000 -12.695) 13.386 16.946 ( -3.693 0.000 4.256) 5.635 17.077 ( -3.870 0.000 4.214) 5.721 17.121 ( -2.545 0.000 4.491) 5.162 17.136 ( -2.028 0.000 4.269) 4.726 17.268 ( -3.950 0.000 -5.144) 6.486 17.286 ( 3.503 0.000 -7.409) 8.196 17.323 ( 2.849 0.000 -8.456) 8.923 17.494 ( -10.945 0.000 -7.700) 13.382 17.768 ( 6.133 0.000 10.271) 11.963 17.919 ( 1.745 0.000 2.748) 3.255 18.013 ( 4.361 0.000 -2.689) 5.123 18.142 ( 2.257 0.000 -4.158) 4.731 18.184 ( -0.536 0.000 1.401) 1.500 18.193 ( -1.820 0.000 2.087) 2.769 18.238 ( -0.748 0.000 3.517) 3.596 18.313 ( 0.479 0.000 -1.680) 1.747 18.758 ( -2.433 0.000 0.205) 2.442 18.785 ( -1.625 0.000 -1.951) 2.539 19.080 ( 9.939 0.000 3.326) 10.481 19.167 ( 3.234 0.000 5.095) 6.035 19.557 ( -1.201 0.000 1.498) 1.920 19.822 ( 0.192 0.000 -6.746) 6.749 19.905 ( -1.182 0.000 3.705) 3.889 20.022 ( 3.880 0.000 -3.078) 4.953 ======================= Grid point 123 (57/80) ======================= q-point: ( 0.00 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( 6.745 10.419 18.954) 22.656 1.116 ( 0.789 5.096 24.908) 25.436 1.348 ( -3.086 1.668 -20.474) 20.773 1.596 ( -3.553 3.985 -21.493) 22.147 1.687 ( -6.050 17.138 24.688) 30.657 2.024 ( 1.190 6.584 -4.476) 8.050 2.210 ( 3.871 0.850 -2.281) 4.573 2.251 ( -5.018 1.013 -5.838) 7.765 2.367 ( -1.312 3.900 6.248) 7.481 2.494 ( 0.803 8.675 -7.569) 11.541 2.580 ( -7.080 4.210 9.793) 12.796 2.636 ( 0.415 5.839 5.294) 7.893 2.739 ( 4.975 1.943 -6.100) 8.107 2.829 ( 4.616 3.269 -11.882) 13.160 2.993 ( -0.804 0.377 3.423) 3.536 3.039 ( -4.432 0.287 1.796) 4.791 3.127 ( 1.479 3.021 1.320) 3.613 3.220 ( 1.195 2.812 -4.916) 5.789 3.357 ( 0.078 -5.732 2.647) 6.314 3.438 ( 5.259 -2.460 -1.525) 6.003 3.590 ( -1.621 0.860 2.853) 3.392 3.661 ( -0.966 -4.229 -3.663) 5.677 3.827 ( 3.002 1.027 5.299) 6.176 3.932 ( -1.525 1.709 -3.023) 3.792 3.998 ( 1.062 -2.480 2.353) 3.579 4.064 ( 2.843 1.869 1.511) 3.722 4.128 ( 0.259 -4.039 -2.964) 5.016 4.204 ( -5.496 0.622 -5.880) 8.073 4.326 ( 2.121 1.536 3.931) 4.724 4.347 ( 1.959 -2.501 3.748) 4.914 4.441 ( 0.079 -3.010 -4.646) 5.537 4.465 ( -0.235 0.949 -5.938) 6.017 4.627 ( -0.134 -1.498 3.622) 3.921 4.680 ( -0.162 -0.723 -1.392) 1.577 4.835 ( -3.904 3.626 2.311) 5.808 4.878 ( 1.919 3.990 -1.233) 4.595 5.218 ( -2.259 -1.953 3.686) 4.744 5.242 ( 1.486 -5.010 2.447) 5.770 5.406 ( 1.427 2.020 4.117) 4.803 5.528 ( -1.790 -0.214 -6.775) 7.011 5.735 ( -3.773 -5.530 1.775) 6.927 5.805 ( 1.860 -4.472 -5.153) 7.073 6.038 ( 3.739 -2.866 2.790) 5.475 6.082 ( -1.909 -1.608 -1.981) 3.187 6.243 ( -1.438 0.402 3.672) 3.964 6.282 ( 0.705 1.006 -0.490) 1.322 6.410 ( 0.461 -2.086 1.294) 2.498 6.439 ( -2.456 -3.966 -3.227) 5.673 6.560 ( 6.514 -3.687 7.158) 10.357 6.652 ( -3.139 -1.673 -0.730) 3.631 6.695 ( -1.225 -0.268 0.310) 1.292 6.734 ( 2.231 0.411 -3.337) 4.035 6.910 ( 0.396 2.147 1.170) 2.477 6.968 ( 1.110 2.881 -3.880) 4.958 7.172 ( -1.622 -10.105 1.114) 10.294 7.182 ( 0.857 -6.909 -0.518) 6.981 7.293 ( 2.637 -3.308 4.348) 6.066 7.347 ( -2.072 0.209 -1.601) 2.626 7.540 ( 3.830 -1.593 3.354) 5.334 7.585 ( -3.923 -1.597 0.008) 4.236 7.716 ( -0.213 -0.083 1.167) 1.189 7.749 ( -1.398 0.642 -0.054) 1.539 7.790 ( -1.591 2.199 2.134) 3.453 7.861 ( 2.512 1.147 -3.168) 4.203 8.012 ( 0.190 -1.277 0.710) 1.473 8.033 ( -0.556 -0.434 -1.203) 1.395 8.166 ( 0.648 -0.173 2.162) 2.264 8.218 ( -0.543 -1.624 -2.067) 2.685 8.281 ( -0.159 0.674 -0.304) 0.757 8.295 ( -0.085 0.028 -1.597) 1.600 8.425 ( 0.271 -0.471 1.389) 1.491 8.452 ( -0.085 -0.159 -0.962) 0.979 8.511 ( -2.229 0.598 0.746) 2.426 8.551 ( 2.376 0.024 -2.465) 3.424 8.800 ( -2.396 -1.540 2.143) 3.564 8.821 ( 2.872 -0.682 0.060) 2.953 8.973 ( 1.367 2.486 1.069) 3.032 9.014 ( -2.718 1.950 -3.108) 4.566 9.436 ( 1.570 -1.341 1.979) 2.860 9.461 ( -0.975 -1.503 -0.563) 1.878 12.812 ( 0.184 9.140 1.717) 9.302 12.872 ( -0.100 12.710 -5.074) 13.686 14.278 ( -1.372 -3.231 5.268) 6.331 14.390 ( 1.849 -4.486 -6.117) 7.808 17.022 ( 2.740 2.930 4.269) 5.858 17.048 ( 0.432 -1.220 4.232) 4.426 17.136 ( -1.385 -0.234 -3.141) 3.441 17.160 ( -4.707 2.173 -2.499) 5.755 17.205 ( -3.005 4.201 3.442) 6.207 17.227 ( -2.777 1.065 5.448) 6.207 17.348 ( 3.404 4.498 -7.913) 9.718 17.371 ( 2.474 4.514 -8.050) 9.555 17.920 ( 2.464 -2.107 8.443) 9.044 17.942 ( -1.601 -2.140 3.410) 4.332 18.003 ( 0.792 -3.023 -2.345) 3.907 18.063 ( -2.182 -2.149 -4.804) 5.697 18.163 ( -1.053 -2.287 1.312) 2.839 18.182 ( 1.353 -1.873 -0.227) 2.321 18.203 ( 1.180 -3.752 3.592) 5.327 18.273 ( 0.026 -2.596 -2.867) 3.867 18.756 ( -0.305 1.787 0.481) 1.876 18.772 ( 0.488 1.116 -1.123) 1.657 19.179 ( -3.777 -3.299 4.541) 6.765 19.271 ( 6.618 -3.332 -4.803) 8.830 19.566 ( 0.865 0.258 5.720) 5.791 19.695 ( -2.498 -1.861 -7.125) 7.776 19.899 ( -1.034 -2.824 5.964) 6.679 19.996 ( 0.914 -3.289 -4.167) 5.387 ======================= Grid point 124 (58/80) ======================= q-point: ( 0.17 0.11 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( 0.435 7.834 -17.353) 19.044 1.209 ( 3.247 6.004 16.714) 18.054 1.456 ( 8.656 -3.265 -13.584) 16.435 1.485 ( 5.429 12.573 17.317) 22.078 1.966 ( 4.192 3.089 10.978) 12.151 2.003 ( 1.893 5.376 0.351) 5.710 2.108 ( 2.013 7.112 -6.576) 9.894 2.237 ( -3.694 2.586 4.332) 6.253 2.337 ( -8.404 5.638 4.728) 11.170 2.457 ( 3.374 7.749 -2.924) 8.943 2.589 ( 2.033 6.810 6.585) 9.689 2.710 ( 1.771 0.510 -4.500) 4.862 2.758 ( 4.773 0.863 3.039) 5.724 2.793 ( 1.307 4.331 -9.535) 10.554 2.988 ( -3.719 -0.846 2.328) 4.468 3.063 ( 1.808 1.341 3.740) 4.365 3.143 ( -0.044 2.434 -4.438) 5.061 3.197 ( 0.030 1.995 -0.822) 2.158 3.356 ( -0.582 -4.565 -2.103) 5.060 3.422 ( -1.751 -4.412 -3.209) 5.730 3.568 ( 0.431 -2.708 -0.796) 2.855 3.656 ( -3.944 1.663 1.897) 4.682 3.813 ( -2.282 -1.452 -6.424) 6.971 3.873 ( -1.459 3.115 2.006) 3.982 4.020 ( -2.535 1.495 -3.163) 4.320 4.045 ( 0.649 -5.096 -0.177) 5.140 4.105 ( 0.151 -0.724 2.705) 2.805 4.245 ( 3.322 -0.252 2.118) 3.948 4.324 ( -1.588 -2.752 -7.036) 7.720 4.357 ( -0.848 1.775 1.002) 2.207 4.423 ( 0.417 -1.388 0.108) 1.453 4.445 ( 2.408 0.723 1.721) 3.047 4.600 ( -2.538 -2.462 0.699) 3.604 4.680 ( -0.283 1.746 0.890) 1.980 4.823 ( -0.568 2.015 2.541) 3.293 4.946 ( 3.608 3.424 0.805) 5.038 5.129 ( -5.668 -3.615 0.576) 6.747 5.320 ( 1.466 -0.537 -0.615) 1.678 5.422 ( -1.534 1.119 -5.447) 5.768 5.503 ( 1.935 1.044 7.449) 7.767 5.639 ( -6.861 -5.960 2.372) 9.393 5.787 ( -2.391 -1.198 -0.093) 2.677 6.034 ( 1.021 -2.520 -1.875) 3.303 6.111 ( -0.372 -6.607 -0.797) 6.665 6.205 ( -2.131 0.411 4.335) 4.847 6.263 ( -1.285 1.563 -2.364) 3.112 6.366 ( -5.584 -7.263 1.440) 9.274 6.463 ( 0.848 1.574 0.062) 1.789 6.511 ( -2.542 -4.164 -4.179) 6.424 6.701 ( 0.452 0.490 0.189) 0.693 6.726 ( 2.233 0.697 0.323) 2.362 6.766 ( 5.827 -2.167 -1.695) 6.443 6.911 ( -4.719 2.611 -2.573) 5.976 6.942 ( 1.530 0.248 0.447) 1.613 7.135 ( 0.487 -2.659 2.008) 3.368 7.163 ( -2.377 -9.593 -0.508) 9.896 7.263 ( -2.800 -0.597 -3.517) 4.535 7.376 ( 2.829 1.419 1.908) 3.695 7.519 ( -0.805 0.196 -2.011) 2.175 7.626 ( 0.349 -2.619 1.162) 2.886 7.713 ( -2.042 -0.183 2.442) 3.188 7.723 ( -0.586 1.080 -0.796) 1.464 7.789 ( -1.367 2.766 3.227) 4.465 7.875 ( 2.157 -1.220 -3.188) 4.038 8.014 ( 0.452 0.887 -0.327) 1.048 8.061 ( 2.439 -1.065 0.630) 2.735 8.151 ( -2.971 -1.917 -1.217) 3.740 8.227 ( 1.498 0.522 2.013) 2.562 8.259 ( -0.871 -0.541 -0.494) 1.138 8.300 ( 1.187 -1.671 0.572) 2.128 8.391 ( -2.578 -0.116 -0.419) 2.615 8.462 ( -1.892 -0.231 1.938) 2.719 8.493 ( 1.969 1.692 -1.877) 3.204 8.602 ( 3.581 -0.079 -0.965) 3.709 8.753 ( -3.443 -1.105 0.347) 3.633 8.846 ( 0.012 -0.440 -1.204) 1.282 8.969 ( 0.643 2.126 -0.728) 2.338 9.036 ( 2.325 1.424 3.480) 4.421 9.425 ( -1.305 -1.107 -1.637) 2.368 9.472 ( 0.713 -1.423 0.382) 1.637 12.808 ( -1.438 9.259 -0.394) 9.378 12.840 ( -0.267 10.600 0.346) 10.609 14.332 ( 0.973 -4.221 5.545) 7.036 14.398 ( 4.789 -4.679 -6.079) 9.043 17.023 ( 0.123 -1.326 -2.888) 3.181 17.067 ( -0.229 -4.254 -0.811) 4.337 17.155 ( 1.102 2.759 3.006) 4.226 17.183 ( 2.713 2.051 5.814) 6.735 17.198 ( -2.908 3.130 6.534) 7.807 17.300 ( 4.049 4.862 -1.142) 6.429 17.337 ( 3.284 5.077 -5.121) 7.924 17.402 ( 7.787 1.183 -0.962) 7.935 17.889 ( -4.465 -3.764 -1.944) 6.155 17.917 ( -5.854 -3.938 -2.072) 7.353 17.990 ( -1.693 0.295 -0.718) 1.863 18.029 ( -0.138 -0.995 4.269) 4.385 18.160 ( -0.137 -3.338 -0.127) 3.343 18.199 ( 1.211 -1.986 -0.596) 2.401 18.227 ( -0.543 -2.841 -0.776) 2.994 18.252 ( 0.167 -3.481 -0.338) 3.501 18.764 ( 1.368 1.161 -0.088) 1.796 18.798 ( 2.528 1.752 -0.204) 3.083 19.092 ( -7.376 -1.380 1.830) 7.723 19.241 ( -3.161 -3.030 -5.345) 6.909 19.595 ( -0.460 -2.131 -3.187) 3.861 19.688 ( 2.598 1.218 5.588) 6.282 19.902 ( -2.936 -3.925 2.184) 5.367 19.972 ( 0.106 -1.647 -2.227) 2.772 ======================= Grid point 125 (59/80) ======================= q-point: ( 0.33 0.11 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( 22.037 5.109 -1.640) 22.680 1.439 ( 0.952 5.144 14.471) 15.387 1.518 ( 12.466 -6.256 -14.270) 19.954 1.748 ( 1.298 9.329 18.447) 20.713 1.860 ( -7.865 0.581 9.137) 12.070 2.073 ( -2.022 8.533 2.778) 9.199 2.168 ( -7.222 9.469 3.876) 12.524 2.203 ( 4.666 7.358 -1.576) 8.854 2.300 ( 6.102 -0.206 -1.702) 6.338 2.489 ( 1.474 2.710 -6.151) 6.881 2.645 ( -4.345 -1.571 -5.544) 7.217 2.674 ( -2.352 3.738 -9.141) 10.152 2.792 ( -1.187 -2.954 -2.057) 3.790 2.885 ( 6.239 2.625 6.678) 9.509 2.952 ( -3.415 0.565 3.466) 4.898 2.986 ( -4.672 -2.272 -8.063) 9.592 3.035 ( -4.010 5.048 -2.545) 6.931 3.198 ( 2.598 4.940 -2.599) 6.157 3.318 ( -1.813 2.655 3.668) 4.877 3.434 ( 6.043 -7.137 -1.776) 9.519 3.562 ( -2.967 -4.602 2.679) 6.096 3.612 ( -1.906 1.221 4.594) 5.121 3.786 ( 4.231 2.293 0.107) 4.814 3.894 ( 3.792 1.567 -2.096) 4.608 3.902 ( -4.496 7.538 -6.581) 10.970 4.060 ( -1.187 -6.567 1.787) 6.908 4.097 ( -1.506 -2.265 -1.884) 3.308 4.246 ( 1.585 -4.476 -0.547) 4.779 4.267 ( -0.130 -0.765 0.546) 0.949 4.371 ( -0.113 -0.313 -3.591) 3.607 4.448 ( -0.560 -2.229 3.509) 4.195 4.545 ( 1.153 0.464 2.764) 3.031 4.580 ( 0.960 0.136 2.774) 2.938 4.682 ( 2.072 4.765 -0.516) 5.221 4.871 ( 0.734 -0.152 4.555) 4.616 4.965 ( -3.391 -0.634 0.157) 3.454 5.039 ( -2.103 3.562 -2.219) 4.694 5.199 ( -5.939 2.600 -6.772) 9.375 5.406 ( -0.792 -1.528 0.233) 1.736 5.587 ( -0.093 -2.017 6.459) 6.768 5.631 ( 3.005 -2.574 4.763) 6.192 5.716 ( -4.757 2.261 2.388) 5.783 6.058 ( 1.543 -5.117 -2.749) 6.010 6.101 ( -0.913 -6.066 0.543) 6.158 6.160 ( -5.521 -0.415 0.368) 5.549 6.216 ( -1.898 -3.034 -3.185) 4.791 6.279 ( -3.044 -2.496 6.897) 7.941 6.376 ( 0.931 -3.153 -7.175) 7.892 6.548 ( -0.658 -2.357 3.372) 4.166 6.713 ( -0.116 -2.720 -5.266) 5.928 6.729 ( 2.834 1.245 0.032) 3.096 6.801 ( -1.530 6.013 0.250) 6.209 6.878 ( 2.358 -0.690 0.544) 2.516 6.974 ( 2.799 -3.031 -1.382) 4.351 7.065 ( -3.919 -3.401 -6.077) 7.991 7.175 ( -1.952 -3.259 -1.696) 4.161 7.236 ( 4.671 2.850 0.724) 5.519 7.415 ( 0.428 5.175 -1.991) 5.561 7.527 ( 2.539 -2.114 0.783) 3.396 7.594 ( -2.777 -1.830 0.141) 3.329 7.695 ( -2.413 1.169 2.893) 3.944 7.718 ( 1.091 1.280 -1.267) 2.106 7.800 ( -1.883 2.763 4.653) 5.730 7.884 ( 2.365 -0.515 -3.490) 4.247 8.022 ( 0.767 -0.075 0.085) 0.775 8.082 ( -2.684 -2.901 0.196) 3.957 8.121 ( 2.143 -0.520 0.389) 2.239 8.225 ( -2.180 1.461 1.801) 3.183 8.278 ( 0.870 -1.609 -0.527) 1.904 8.293 ( -2.190 -1.395 -1.826) 3.174 8.370 ( 1.201 -1.766 1.383) 2.544 8.451 ( -0.736 -0.572 0.697) 1.164 8.514 ( 1.563 2.198 -0.161) 2.702 8.645 ( 1.044 -0.404 -0.629) 1.284 8.689 ( -1.961 -0.525 -0.944) 2.239 8.811 ( -1.475 0.267 -2.132) 2.606 9.013 ( 2.714 1.476 1.742) 3.546 9.110 ( 0.905 1.081 3.747) 4.003 9.389 ( -0.256 -0.779 -1.627) 1.822 9.469 ( -0.502 -1.156 -1.323) 1.827 12.789 ( -0.283 7.852 0.236) 7.861 12.832 ( -0.928 9.757 0.095) 9.802 14.400 ( 1.160 -6.230 3.676) 7.326 14.449 ( 3.744 -4.641 -1.469) 6.141 17.032 ( 3.253 -3.339 -2.109) 5.117 17.093 ( 3.319 -5.032 -0.842) 6.086 17.159 ( -2.855 2.275 4.228) 5.586 17.184 ( -4.024 1.612 4.765) 6.442 17.299 ( 1.380 4.539 -2.510) 5.367 17.327 ( 5.011 0.802 -0.191) 5.078 17.353 ( 1.075 5.101 -1.835) 5.527 17.618 ( 7.615 0.358 5.437) 9.364 17.698 ( -6.284 -3.588 -10.495) 12.748 17.846 ( -0.511 -3.663 1.657) 4.053 17.943 ( -3.073 1.944 0.909) 3.748 18.034 ( -3.076 -0.727 3.339) 4.598 18.149 ( 0.346 -4.191 -2.260) 4.774 18.186 ( -0.467 -5.127 -3.238) 6.082 18.233 ( 1.557 -1.838 -0.011) 2.409 18.251 ( -1.191 -2.406 1.739) 3.198 18.810 ( 3.296 0.280 -0.019) 3.308 18.863 ( 4.432 1.749 0.045) 4.765 18.988 ( -4.731 0.820 1.523) 5.037 19.088 ( -6.862 -0.958 -3.830) 7.916 19.594 ( 2.593 -1.399 -0.835) 3.062 19.745 ( -2.552 1.940 3.880) 5.033 19.870 ( -1.691 -4.116 1.683) 4.757 19.943 ( -0.690 -1.015 -1.951) 2.305 ======================= Grid point 126 (60/80) ======================= q-point: (-0.50 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( -17.483 -1.559 13.530) 22.161 1.647 ( 14.014 -5.249 -11.620) 18.947 1.695 ( 20.766 3.086 7.879) 22.424 1.756 ( -15.742 8.223 5.328) 18.543 1.938 ( 4.280 1.955 9.682) 10.765 2.136 ( 0.602 7.469 8.541) 11.362 2.158 ( -0.787 4.898 -1.937) 5.325 2.203 ( -11.860 5.765 3.238) 13.579 2.317 ( 1.610 5.384 2.095) 5.998 2.369 ( -2.641 7.024 -6.790) 10.120 2.505 ( -4.414 1.540 -4.915) 6.784 2.552 ( 5.324 -1.841 -5.694) 8.009 2.680 ( -4.855 -2.640 -1.520) 5.731 2.778 ( 2.282 -2.868 -9.682) 10.353 2.890 ( -1.019 -1.127 -1.133) 1.896 2.908 ( 1.930 3.049 -3.012) 4.700 3.161 ( -1.443 0.868 2.849) 3.310 3.227 ( 4.822 1.271 -3.321) 5.991 3.361 ( 0.280 1.643 5.107) 5.372 3.449 ( -2.704 -1.684 -3.889) 5.027 3.635 ( -0.643 4.952 6.996) 8.595 3.658 ( 4.394 -0.461 6.874) 8.171 3.784 ( 0.516 5.159 -7.018) 8.725 3.798 ( -0.818 5.848 -6.245) 8.594 3.997 ( 6.212 -5.679 0.638) 8.441 4.019 ( -2.822 -8.180 -1.509) 8.784 4.143 ( 4.633 -1.491 4.269) 6.474 4.247 ( -3.906 -0.438 -0.183) 3.935 4.279 ( -4.259 -3.219 -2.709) 5.987 4.312 ( 5.081 0.311 -2.133) 5.520 4.482 ( 0.366 -1.702 3.822) 4.199 4.540 ( -0.849 -1.384 -0.860) 1.837 4.658 ( 2.654 -0.264 5.901) 6.476 4.761 ( 0.930 2.849 -1.016) 3.164 4.811 ( -2.421 2.439 -1.942) 3.947 4.862 ( -3.976 -0.189 -3.127) 5.062 5.038 ( 1.063 4.832 2.653) 5.614 5.080 ( -2.126 4.581 -1.805) 5.363 5.459 ( 5.104 -1.311 4.240) 6.764 5.533 ( -5.509 -0.261 -3.222) 6.387 5.751 ( 2.665 -2.974 9.316) 10.136 5.814 ( 6.479 0.468 6.186) 8.970 5.928 ( -10.373 -2.488 -3.489) 11.223 5.972 ( -1.655 -3.435 -6.694) 7.703 6.155 ( 0.765 -4.783 1.983) 5.234 6.217 ( 1.021 -1.775 -4.686) 5.113 6.339 ( 2.934 -6.765 5.404) 9.142 6.413 ( 0.439 -2.907 1.094) 3.137 6.500 ( -2.686 -5.001 2.801) 6.330 6.653 ( 0.426 -4.775 -4.795) 6.781 6.770 ( -4.206 4.811 0.449) 6.406 6.799 ( 4.100 2.544 -1.604) 5.085 6.879 ( -1.737 5.585 0.716) 5.893 6.946 ( 0.163 2.300 -5.709) 6.157 7.048 ( 3.866 -4.812 0.494) 6.192 7.096 ( -3.021 -3.060 -3.766) 5.716 7.325 ( 1.934 2.699 2.442) 4.122 7.373 ( -2.016 4.262 -2.454) 5.314 7.559 ( -1.724 -1.465 1.203) 2.563 7.580 ( 1.800 -1.891 -0.467) 2.652 7.685 ( -1.854 1.084 3.202) 3.856 7.734 ( 2.114 1.980 -1.957) 3.495 7.804 ( -2.733 2.470 4.899) 6.130 7.892 ( 2.287 1.062 -3.978) 4.709 8.036 ( -1.318 -3.613 1.220) 4.035 8.053 ( 1.390 -2.787 -0.226) 3.123 8.169 ( 1.095 2.341 1.027) 2.781 8.182 ( -1.721 1.817 -0.596) 2.572 8.236 ( -1.768 -1.616 1.745) 2.963 8.297 ( 2.060 -0.887 -3.055) 3.790 8.399 ( -0.862 -3.260 2.181) 4.016 8.448 ( 1.907 -1.741 -2.354) 3.494 8.557 ( 0.955 2.417 2.609) 3.682 8.607 ( -0.940 0.365 -2.489) 2.685 8.702 ( 1.463 -0.841 1.598) 2.324 8.751 ( -2.104 -0.185 -2.987) 3.658 9.090 ( 2.427 1.163 2.902) 3.958 9.121 ( -2.069 1.432 0.396) 2.547 9.395 ( 1.260 -0.696 0.738) 1.617 9.430 ( -1.483 -0.843 -2.373) 2.922 12.798 ( 0.378 8.014 0.778) 8.061 12.814 ( -0.147 8.764 -0.807) 8.803 14.410 ( -5.691 -5.110 5.956) 9.694 14.525 ( 7.911 -7.431 -5.457) 12.149 17.093 ( 2.661 -2.223 1.338) 3.716 17.113 ( -4.599 -1.079 0.271) 4.732 17.134 ( -2.937 0.277 2.006) 3.568 17.163 ( 3.006 -1.589 -0.979) 3.539 17.310 ( 0.014 1.055 4.379) 4.504 17.323 ( -3.412 0.506 1.430) 3.734 17.394 ( 4.068 2.354 -3.006) 5.579 17.502 ( -1.605 -0.593 -10.164) 10.307 17.790 ( 6.341 1.355 3.227) 7.243 17.828 ( -4.759 1.951 -0.372) 5.157 17.975 ( 4.772 -0.874 2.187) 5.321 17.990 ( -3.475 -0.117 1.080) 3.641 18.124 ( -1.838 -6.419 -0.927) 6.742 18.148 ( 0.504 -5.645 -2.892) 6.363 18.239 ( -1.773 -1.762 1.854) 3.112 18.263 ( 1.581 -2.264 -0.508) 2.808 18.888 ( 4.161 -0.410 1.051) 4.311 18.911 ( -4.482 -0.558 -0.660) 4.565 18.945 ( -5.033 1.334 -0.032) 5.206 18.961 ( 5.608 2.031 -1.085) 6.062 19.662 ( -2.239 0.520 2.059) 3.086 19.690 ( 2.237 0.685 -0.718) 2.447 19.872 ( -1.004 -3.067 2.635) 4.166 19.922 ( 1.099 -1.687 -2.464) 3.182 ======================= Grid point 127 (61/80) ======================= q-point: (-0.33 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( -22.772 -3.991 11.271) 25.720 1.239 ( -25.913 6.424 0.245) 26.699 1.750 ( 3.288 1.346 -12.187) 12.695 1.810 ( -18.363 14.937 14.159) 27.583 1.960 ( 0.877 -5.358 -6.867) 8.754 2.131 ( 5.764 9.404 -9.631) 14.643 2.184 ( 3.031 3.689 6.161) 7.795 2.300 ( 1.367 4.763 4.122) 6.446 2.321 ( 2.835 2.170 -6.551) 7.461 2.378 ( 1.091 4.611 4.673) 6.655 2.451 ( -0.793 3.134 8.828) 9.402 2.578 ( 3.155 2.945 -0.933) 4.416 2.750 ( 7.032 -1.576 3.172) 7.874 2.872 ( 7.092 -6.237 -0.561) 9.462 2.905 ( 3.166 0.691 1.589) 3.610 2.986 ( 8.734 3.276 -1.940) 9.528 3.074 ( -6.271 3.186 -0.913) 7.093 3.218 ( -0.216 2.731 -4.524) 5.289 3.353 ( -2.295 1.116 -0.233) 2.563 3.404 ( -4.232 -7.097 -0.177) 8.265 3.626 ( -1.372 4.571 0.703) 4.824 3.683 ( -2.630 1.699 -1.570) 3.503 3.754 ( 2.630 5.746 3.258) 7.109 3.870 ( 6.406 6.238 -5.041) 10.264 3.930 ( -0.984 -5.603 -6.492) 8.632 4.076 ( 2.527 -5.947 -0.251) 6.467 4.113 ( -3.514 -5.407 -4.368) 7.789 4.189 ( -3.292 -2.588 1.670) 4.509 4.282 ( 2.268 0.849 4.557) 5.161 4.368 ( 2.060 0.953 -3.232) 3.950 4.492 ( -0.668 -3.171 -0.036) 3.241 4.555 ( 2.583 0.496 1.253) 2.914 4.633 ( -3.278 0.893 -2.701) 4.341 4.696 ( -4.486 3.350 -2.144) 5.995 4.883 ( 6.861 -1.831 4.611) 8.467 4.917 ( 3.311 0.185 3.773) 5.023 5.018 ( -2.620 3.692 -0.975) 4.631 5.108 ( 2.875 4.219 2.316) 5.606 5.423 ( -1.602 -2.321 -1.082) 3.021 5.624 ( 3.374 -1.196 0.033) 3.580 5.716 ( -3.738 -1.799 -0.785) 4.222 5.800 ( -0.177 -2.786 -3.224) 4.265 5.941 ( 2.138 -3.072 6.103) 7.159 6.079 ( 6.845 -3.214 4.559) 8.830 6.153 ( -2.145 -1.322 1.238) 2.807 6.181 ( 2.157 -3.643 -2.141) 4.744 6.282 ( -5.450 -6.522 -2.795) 8.947 6.457 ( 2.561 -0.777 -0.643) 2.752 6.523 ( -0.404 -6.797 1.245) 6.922 6.660 ( -1.931 0.479 -0.641) 2.091 6.718 ( 2.844 -1.776 1.773) 3.793 6.851 ( 0.945 4.255 -0.278) 4.367 6.881 ( 0.214 4.031 2.573) 4.787 6.919 ( 0.971 4.309 -0.741) 4.479 6.987 ( -2.928 -3.509 -1.704) 4.878 7.124 ( 1.706 -2.730 1.869) 3.722 7.276 ( -4.358 2.692 -1.986) 5.494 7.375 ( 0.297 3.053 1.771) 3.543 7.530 ( -2.410 -1.519 0.415) 2.879 7.599 ( 1.349 -1.486 -0.209) 2.018 7.681 ( -1.129 0.049 1.971) 2.271 7.754 ( 2.079 2.043 -2.435) 3.798 7.797 ( -2.888 1.793 5.009) 6.054 7.886 ( 1.062 2.926 -3.878) 4.972 8.023 ( -0.780 -3.201 0.213) 3.301 8.099 ( 2.584 -3.513 -1.110) 4.500 8.118 ( -1.749 0.061 0.527) 1.828 8.231 ( -1.202 -2.186 2.344) 3.423 8.246 ( 3.291 1.930 0.856) 3.910 8.308 ( 2.567 -0.261 -3.131) 4.057 8.383 ( -1.437 -2.733 0.206) 3.094 8.475 ( 2.372 -1.298 -1.870) 3.288 8.534 ( -2.078 0.638 -1.200) 2.482 8.646 ( 3.684 1.518 0.641) 4.036 8.677 ( -2.665 -0.496 -1.539) 3.117 8.753 ( 1.080 -0.856 3.241) 3.522 9.056 ( -3.272 2.177 -1.988) 4.405 9.145 ( 0.606 0.884 0.765) 1.317 9.378 ( -1.318 -0.754 -0.988) 1.812 9.437 ( 1.189 -0.841 1.784) 2.303 12.794 ( -0.338 7.560 -0.183) 7.569 12.839 ( 2.828 10.685 -0.620) 11.071 14.337 ( -6.310 -4.310 4.233) 8.736 14.585 ( 4.218 -9.050 -8.948) 13.408 17.012 ( -4.359 -0.858 -0.127) 4.444 17.070 ( -4.211 -2.300 0.997) 4.900 17.151 ( -0.667 2.063 4.375) 4.883 17.200 ( -0.555 2.696 2.365) 3.629 17.284 ( -0.502 -0.854 -0.993) 1.403 17.367 ( 1.959 1.556 -3.568) 4.358 17.423 ( 1.304 2.930 -5.949) 6.759 17.488 ( 5.638 -1.942 8.338) 10.251 17.714 ( -4.626 1.607 -3.702) 6.139 17.893 ( -1.394 -1.098 -2.317) 2.919 17.950 ( 4.205 1.783 0.225) 4.573 18.077 ( 0.082 -4.911 1.475) 5.128 18.087 ( 1.536 -4.340 1.380) 4.806 18.141 ( -0.004 -5.481 0.027) 5.481 18.218 ( -1.979 -1.026 1.151) 2.509 18.285 ( 1.355 -2.457 -0.964) 2.967 18.819 ( -3.303 0.035 -0.932) 3.432 18.861 ( -4.067 0.904 0.237) 4.173 19.006 ( 5.688 -0.418 1.700) 5.952 19.039 ( 4.149 2.669 -1.097) 5.054 19.581 ( -3.566 0.434 0.705) 3.661 19.796 ( 4.733 -1.098 -1.058) 4.973 19.868 ( -1.501 -2.475 1.923) 3.475 19.942 ( 3.209 -2.761 -1.984) 4.675 ======================= Grid point 128 (62/80) ======================= q-point: (-0.17 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( -12.667 10.031 10.785) 19.426 1.051 ( -14.245 0.869 20.696) 25.139 1.574 ( -1.846 -0.900 -18.225) 18.340 1.655 ( -16.419 20.186 23.531) 35.082 1.919 ( -1.988 10.386 -18.078) 20.943 2.026 ( 1.104 -1.939 -2.166) 3.110 2.202 ( 0.903 2.118 -3.266) 3.996 2.327 ( 0.654 0.278 -0.163) 0.729 2.368 ( -4.889 2.142 1.143) 5.459 2.471 ( 10.075 9.426 -3.407) 14.212 2.564 ( 2.714 2.194 5.824) 6.789 2.606 ( -4.240 4.232 6.236) 8.648 2.770 ( -3.994 6.086 -7.123) 10.185 2.882 ( 0.733 1.922 -4.207) 4.683 2.980 ( 0.663 -1.016 -0.733) 1.418 3.007 ( 1.003 2.975 8.024) 8.617 3.167 ( 2.502 1.219 -5.115) 5.823 3.222 ( 4.656 3.939 -3.105) 6.844 3.305 ( 0.392 -5.055 3.325) 6.064 3.345 ( -1.302 -6.348 1.973) 6.773 3.609 ( -0.423 5.819 -2.040) 6.181 3.677 ( 0.825 -4.562 6.216) 7.754 3.753 ( 0.896 0.130 -6.008) 6.076 3.890 ( 2.117 1.128 -2.456) 3.433 3.970 ( 4.602 3.352 0.248) 5.699 4.057 ( -1.682 -3.636 -0.571) 4.047 4.133 ( 2.735 0.110 0.205) 2.745 4.206 ( 3.913 -3.731 3.209) 6.287 4.319 ( -1.814 0.793 -0.896) 2.173 4.324 ( -1.575 -0.243 -1.159) 1.970 4.477 ( -0.336 -2.053 -3.469) 4.045 4.559 ( -1.487 0.454 -5.621) 5.832 4.595 ( 0.468 0.023 -0.649) 0.801 4.652 ( 1.259 1.566 2.923) 3.547 4.880 ( -2.095 1.452 -3.896) 4.656 4.939 ( -4.472 2.064 1.806) 5.246 5.093 ( 5.708 -1.616 4.321) 7.339 5.217 ( 1.634 0.700 7.334) 7.546 5.398 ( -1.548 -1.809 -1.623) 2.882 5.613 ( -0.535 -4.321 -1.719) 4.682 5.701 ( 3.749 -4.099 -2.775) 6.210 5.840 ( 3.632 -1.974 -5.321) 6.738 5.962 ( -2.564 -4.606 4.920) 7.211 6.113 ( 0.659 -3.661 -0.406) 3.742 6.203 ( 1.242 -1.416 2.473) 3.109 6.255 ( 0.815 -1.250 1.974) 2.475 6.303 ( 4.761 -3.152 8.962) 10.626 6.422 ( 2.818 1.604 -4.973) 5.937 6.556 ( -1.801 -4.631 -1.586) 5.215 6.626 ( -1.224 1.540 3.182) 3.741 6.738 ( 0.645 -0.763 -3.270) 3.419 6.795 ( -5.378 -1.286 0.889) 5.601 6.889 ( 2.571 2.517 -1.765) 4.007 6.958 ( 1.827 -0.349 -0.701) 1.988 7.096 ( 5.891 -6.439 7.670) 11.619 7.167 ( 1.079 1.009 4.243) 4.493 7.192 ( -0.989 -2.685 -2.215) 3.618 7.382 ( -1.047 4.043 0.837) 4.260 7.491 ( -1.025 -2.268 0.341) 2.512 7.623 ( -0.254 -2.289 1.126) 2.563 7.695 ( 0.630 0.059 1.841) 1.947 7.762 ( 0.777 1.099 -1.424) 1.959 7.798 ( -1.690 0.661 3.546) 3.983 7.861 ( 0.440 3.588 -3.108) 4.767 8.011 ( -0.263 -2.591 -0.189) 2.611 8.072 ( -1.943 0.274 -0.393) 2.001 8.146 ( 1.615 -4.101 -1.099) 4.542 8.232 ( -0.676 -2.573 1.203) 2.919 8.288 ( 1.709 1.754 -2.169) 3.271 8.314 ( -0.767 -1.187 -1.415) 2.000 8.385 ( 1.894 -0.274 0.685) 2.033 8.472 ( -1.119 1.530 -0.120) 1.899 8.510 ( 1.545 -1.673 -2.481) 3.368 8.600 ( -3.292 0.047 -1.075) 3.463 8.741 ( 4.000 0.224 1.530) 4.288 8.799 ( -0.150 -1.223 3.358) 3.577 8.980 ( -1.946 3.039 -1.577) 3.938 9.107 ( -2.676 1.159 -3.367) 4.455 9.384 ( 1.069 -0.966 2.189) 2.620 9.466 ( 0.263 -1.392 0.968) 1.715 12.794 ( 0.274 7.904 0.511) 7.925 12.888 ( 3.775 13.184 -4.109) 14.316 14.279 ( -3.984 -3.640 4.589) 7.083 14.488 ( -3.206 -6.691 -9.021) 11.680 16.969 ( -0.815 1.475 1.874) 2.521 17.019 ( -1.931 -2.531 2.191) 3.864 17.171 ( -3.157 2.607 6.762) 7.905 17.201 ( -2.926 4.113 5.136) 7.201 17.250 ( -0.871 1.011 -5.163) 5.332 17.330 ( -0.114 2.398 -6.419) 6.853 17.372 ( 1.305 3.826 -7.046) 8.123 17.517 ( -8.421 2.220 -9.354) 12.781 17.740 ( 6.917 -2.764 10.332) 12.738 17.884 ( 2.922 -3.106 1.443) 4.503 18.008 ( 0.986 -2.029 -1.242) 2.575 18.105 ( 1.923 -3.671 1.435) 4.386 18.130 ( 0.214 -3.966 1.381) 4.205 18.157 ( 1.163 -3.136 1.428) 3.636 18.186 ( -2.173 -0.967 0.692) 2.477 18.291 ( 0.635 -2.330 -1.752) 2.983 18.767 ( -1.344 0.846 -0.405) 1.639 18.801 ( -2.237 1.167 -0.358) 2.548 19.122 ( 8.316 2.068 -1.332) 8.672 19.140 ( 2.644 -2.484 4.832) 6.043 19.547 ( -1.461 -0.898 1.389) 2.207 19.799 ( -0.967 -2.001 -4.817) 5.305 19.866 ( -1.407 -3.085 3.842) 5.124 19.992 ( 3.288 -2.879 -2.466) 5.018 ======================= Grid point 129 (63/80) ======================= q-point: ( 0.00 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( 3.102 14.749 7.603) 16.880 1.318 ( 13.515 15.092 20.442) 28.780 1.421 ( -2.975 5.993 -11.508) 13.311 1.741 ( -12.487 9.906 -21.814) 27.017 2.046 ( -3.397 11.050 10.972) 15.939 2.090 ( 1.828 1.441 1.669) 2.865 2.240 ( -8.183 6.088 4.638) 11.204 2.361 ( 5.817 5.689 -1.743) 8.321 2.482 ( -1.699 7.214 9.056) 11.702 2.666 ( 2.122 5.173 -2.634) 6.181 2.701 ( 0.206 7.033 2.243) 7.384 2.754 ( -3.012 7.417 -0.590) 8.027 2.811 ( -3.076 3.030 -3.062) 5.294 2.893 ( 3.913 1.517 -7.798) 8.856 3.040 ( -4.377 -0.983 1.380) 4.693 3.045 ( 1.637 3.980 -1.321) 4.502 3.170 ( -3.192 -3.140 4.369) 6.256 3.218 ( 4.147 3.879 3.168) 6.503 3.305 ( 3.620 -0.852 -1.810) 4.136 3.387 ( 6.271 -0.239 -10.987) 12.652 3.525 ( -10.242 -7.067 2.794) 12.753 3.567 ( 6.485 -3.937 -3.019) 8.166 3.858 ( 5.672 2.738 3.763) 7.336 3.944 ( -2.150 -1.598 -0.602) 2.746 3.991 ( 0.701 2.659 -1.196) 2.999 4.034 ( -4.470 -3.803 -4.890) 7.639 4.109 ( 1.768 2.048 5.192) 5.855 4.218 ( -3.740 -0.659 -2.249) 4.414 4.309 ( 3.005 -0.212 1.481) 3.357 4.328 ( 1.756 -1.821 7.055) 7.494 4.387 ( -0.969 -1.802 -4.282) 4.745 4.479 ( -1.835 -0.575 -5.905) 6.210 4.592 ( -0.299 -1.516 2.148) 2.646 4.649 ( 1.709 -2.216 -2.111) 3.506 4.895 ( -3.888 1.160 2.076) 4.558 4.928 ( 1.671 0.185 -0.423) 1.733 5.141 ( -0.104 -3.460 2.063) 4.029 5.166 ( -0.600 -2.544 -0.178) 2.620 5.394 ( 1.435 -3.710 4.547) 6.042 5.486 ( -0.866 -4.733 -4.714) 6.736 5.673 ( -2.532 -0.038 3.781) 4.550 5.745 ( 3.107 -1.679 -3.823) 5.205 5.903 ( 1.888 -9.159 3.687) 10.052 5.971 ( -1.060 -7.615 -3.237) 8.342 6.173 ( -2.450 -3.747 8.823) 9.894 6.311 ( 0.039 -6.600 -0.720) 6.640 6.349 ( 3.267 2.392 -3.816) 5.564 6.402 ( -0.909 -0.577 -0.150) 1.088 6.474 ( 3.118 -3.170 5.074) 6.746 6.630 ( -4.157 -3.165 -3.518) 6.299 6.712 ( 1.075 3.240 2.154) 4.037 6.778 ( 0.923 3.904 -2.573) 4.766 6.915 ( -0.159 -5.395 0.968) 5.484 6.964 ( -1.286 0.588 -0.988) 1.725 7.040 ( 1.918 -1.770 0.049) 2.611 7.092 ( 0.252 0.445 -5.749) 5.772 7.284 ( 2.294 1.168 4.793) 5.440 7.359 ( -3.477 0.654 -2.906) 4.579 7.509 ( 1.707 -1.533 3.253) 3.980 7.555 ( -0.929 -1.355 -0.260) 1.664 7.707 ( -1.371 -0.765 2.533) 2.980 7.772 ( 0.428 0.973 -2.711) 2.912 7.833 ( -0.620 1.890 1.783) 2.671 7.884 ( 0.443 0.921 -2.642) 2.833 7.981 ( 0.406 -1.492 2.130) 2.632 8.018 ( 0.382 -0.624 -1.639) 1.795 8.158 ( 2.106 -0.819 1.695) 2.825 8.181 ( 0.087 -1.160 0.153) 1.173 8.280 ( -3.850 -1.303 0.310) 4.077 8.301 ( 1.619 0.561 -1.685) 2.403 8.425 ( 0.536 0.720 0.442) 1.001 8.449 ( -0.357 -0.202 -1.557) 1.610 8.520 ( 0.450 0.241 1.044) 1.162 8.545 ( 0.123 -0.458 -1.101) 1.198 8.768 ( -2.342 -1.410 2.781) 3.900 8.803 ( 2.603 -0.934 -0.858) 2.895 9.042 ( 0.612 3.870 -0.052) 3.918 9.067 ( -1.887 3.005 -2.471) 4.324 9.400 ( 1.240 -2.123 1.847) 3.075 9.424 ( -0.763 -2.102 -0.624) 2.322 13.040 ( 0.289 12.211 3.195) 12.625 13.127 ( -0.046 11.522 -5.990) 12.986 14.178 ( -0.727 -6.386 3.957) 7.548 14.260 ( 0.866 -8.043 -4.240) 9.133 17.045 ( 1.050 1.134 3.444) 3.775 17.088 ( 1.824 3.009 1.981) 4.038 17.129 ( 2.175 0.089 -1.127) 2.451 17.182 ( -8.003 0.651 -2.932) 8.548 17.280 ( -2.211 3.813 6.069) 7.501 17.319 ( -5.418 4.939 4.443) 8.573 17.442 ( 5.028 3.404 -6.124) 8.625 17.456 ( 1.868 3.794 -9.678) 10.562 17.858 ( 1.514 -3.607 6.156) 7.294 17.871 ( -3.501 -4.694 3.451) 6.797 17.917 ( 5.027 -4.223 -0.551) 6.589 17.975 ( -1.275 -5.815 -2.443) 6.435 18.123 ( -1.791 -1.295 -0.153) 2.216 18.133 ( 1.881 -2.320 -1.395) 3.297 18.168 ( 0.309 -0.017 2.745) 2.763 18.231 ( 0.303 -1.357 -3.030) 3.334 18.794 ( 1.277 1.562 0.029) 2.018 18.798 ( -0.826 1.548 -0.430) 1.807 19.094 ( -3.331 -4.653 4.037) 7.003 19.179 ( 4.096 -5.278 -4.531) 8.073 19.575 ( 2.764 0.588 3.405) 4.425 19.643 ( -3.533 -2.841 -3.598) 5.788 19.830 ( -1.201 -3.821 4.789) 6.243 19.908 ( 1.217 -4.952 -3.206) 6.023 ======================= Grid point 130 (64/80) ======================= q-point: ( 0.17 0.22 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( -1.685 10.291 -12.557) 16.323 1.423 ( 6.019 11.879 1.901) 13.452 1.433 ( 4.792 6.420 -9.149) 12.161 1.801 ( 10.489 15.240 19.904) 27.174 1.931 ( -9.632 -2.308 -1.920) 10.089 2.178 ( 0.335 8.429 8.371) 11.884 2.202 ( -1.586 1.408 3.505) 4.097 2.406 ( 0.356 9.933 -1.023) 9.992 2.501 ( -2.178 9.582 3.624) 10.473 2.605 ( -2.342 7.152 -4.537) 8.787 2.696 ( -2.424 -1.713 -4.959) 5.780 2.782 ( 2.095 2.288 0.347) 3.121 2.802 ( 1.845 11.281 12.916) 17.247 2.910 ( -0.744 -2.438 -0.303) 2.567 2.943 ( 0.111 4.946 -6.042) 7.809 3.049 ( -5.363 -3.322 3.532) 7.230 3.183 ( -1.126 0.717 -3.299) 3.559 3.242 ( 2.218 -1.847 -1.534) 3.268 3.309 ( -0.874 -0.037 -2.143) 2.314 3.332 ( 4.557 1.672 -5.689) 7.478 3.480 ( 1.639 -5.454 -0.925) 5.770 3.696 ( 3.247 0.593 2.610) 4.208 3.761 ( -7.151 -0.189 -6.576) 9.717 3.936 ( -1.471 -1.186 -0.915) 2.099 3.983 ( 1.176 4.468 2.484) 5.246 4.042 ( -2.239 -1.336 -0.627) 2.682 4.089 ( 0.802 -0.620 2.910) 3.082 4.212 ( -1.552 -3.041 3.853) 5.148 4.295 ( -0.448 1.656 -6.459) 6.683 4.373 ( -0.096 -2.327 0.773) 2.454 4.398 ( 0.050 -1.528 -5.099) 5.324 4.455 ( 3.186 0.422 7.921) 8.548 4.548 ( -2.501 -2.208 -0.305) 3.350 4.706 ( 3.592 0.335 -0.998) 3.743 4.852 ( -2.402 0.396 2.994) 3.859 4.965 ( 0.258 -1.689 0.302) 1.735 5.089 ( -1.137 -0.250 1.311) 1.753 5.263 ( 5.104 -3.697 -0.098) 6.303 5.407 ( -1.523 -3.302 -4.186) 5.546 5.470 ( 1.680 -4.678 3.796) 6.254 5.588 ( -6.543 0.066 -0.211) 6.547 5.776 ( 1.110 0.684 -1.117) 1.717 5.914 ( 0.643 -7.960 -2.556) 8.385 5.965 ( 0.253 -6.957 1.008) 7.034 6.168 ( -7.255 -9.290 6.393) 13.409 6.241 ( -2.994 2.282 3.478) 5.125 6.265 ( -3.323 -1.247 -7.271) 8.091 6.432 ( -1.154 -3.381 -4.646) 5.861 6.492 ( 0.656 0.476 -2.239) 2.381 6.670 ( 4.093 -3.623 4.711) 7.216 6.739 ( 1.105 0.245 -2.111) 2.395 6.766 ( 1.220 3.546 0.315) 3.763 6.915 ( -0.757 -4.600 -0.059) 4.663 6.970 ( 1.082 -3.103 2.162) 3.934 7.006 ( -3.175 3.126 -4.030) 6.007 7.103 ( 3.640 0.154 0.932) 3.760 7.283 ( -0.220 1.808 -2.705) 3.261 7.389 ( 2.842 -0.256 4.658) 5.462 7.529 ( 0.242 0.919 -3.621) 3.743 7.560 ( 0.245 -3.883 1.385) 4.130 7.711 ( -1.713 0.055 4.344) 4.670 7.753 ( 0.362 1.554 -2.423) 2.901 7.828 ( -1.427 0.629 1.725) 2.326 7.883 ( 1.688 1.763 -1.131) 2.690 7.999 ( 0.923 -1.829 -1.228) 2.389 8.048 ( 2.516 -0.320 -0.268) 2.551 8.121 ( -3.834 -1.002 -2.462) 4.666 8.196 ( 1.351 -1.513 -0.285) 2.048 8.250 ( -0.302 -2.091 2.196) 3.047 8.302 ( -0.834 2.299 0.440) 2.485 8.414 ( -2.181 1.775 -0.044) 2.813 8.456 ( -0.078 -0.069 0.467) 0.479 8.509 ( 1.602 -0.076 -1.524) 2.212 8.589 ( 2.906 -1.217 -0.244) 3.160 8.734 ( -3.163 -0.705 1.299) 3.491 8.822 ( 0.767 -1.634 -1.960) 2.665 9.033 ( -0.081 3.769 0.097) 3.771 9.079 ( 1.684 2.663 2.594) 4.081 9.393 ( -0.958 -1.887 -1.471) 2.578 9.434 ( 0.752 -2.296 0.495) 2.466 13.033 ( -2.477 11.767 -0.566) 12.038 13.090 ( -0.215 12.838 0.261) 12.842 14.203 ( 0.114 -8.208 1.663) 8.375 14.273 ( 3.410 -7.258 -1.825) 8.224 17.011 ( -2.119 -1.092 -0.605) 2.459 17.018 ( -3.817 0.768 -1.618) 4.216 17.197 ( 4.939 0.675 2.116) 5.415 17.227 ( -0.199 2.355 6.402) 6.824 17.262 ( -5.494 2.517 6.534) 8.900 17.395 ( 6.400 4.142 5.270) 9.268 17.411 ( 2.678 2.088 -5.945) 6.847 17.469 ( 3.422 4.610 -5.251) 7.781 17.791 ( -4.435 -5.447 0.547) 7.045 17.795 ( -7.978 -6.931 -3.167) 11.032 17.974 ( 2.815 -2.079 -2.133) 4.098 17.997 ( 0.438 -1.927 1.164) 2.294 18.094 ( -0.751 -3.001 0.155) 3.098 18.143 ( -0.057 -2.321 -1.458) 2.742 18.194 ( -0.558 -0.853 2.453) 2.657 18.207 ( 1.119 -0.249 -2.667) 2.903 18.790 ( 0.667 1.062 -0.682) 1.428 18.831 ( 2.509 1.493 -0.119) 2.922 19.042 ( -5.255 -3.425 3.316) 7.096 19.161 ( -1.211 -4.436 -4.404) 6.368 19.542 ( -1.692 -2.721 -1.081) 3.382 19.710 ( 4.873 0.819 2.413) 5.499 19.806 ( -3.489 -5.172 2.069) 6.573 19.922 ( 1.695 -2.949 -2.139) 4.018 ======================= Grid point 131 (65/80) ======================= q-point: ( 0.33 0.22 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( 14.366 3.414 -6.167) 16.003 1.480 ( 12.855 5.085 -7.180) 15.578 1.589 ( -6.430 6.864 5.042) 10.672 1.790 ( 3.847 2.312 3.797) 5.879 2.093 ( 0.471 13.360 17.639) 22.133 2.181 ( -3.472 2.017 3.927) 5.616 2.238 ( 0.906 -0.437 1.869) 2.123 2.365 ( -10.889 10.506 8.127) 17.175 2.480 ( 2.735 10.533 -8.273) 13.670 2.540 ( -6.841 -5.597 -4.069) 9.730 2.548 ( -3.666 1.256 2.477) 4.599 2.758 ( -3.913 -0.735 -2.175) 4.537 2.815 ( 1.093 9.554 -10.940) 14.565 2.886 ( -2.233 -3.467 -0.890) 4.218 2.964 ( -4.002 1.839 -1.653) 4.704 3.020 ( -1.255 4.882 -0.804) 5.104 3.141 ( 3.565 4.638 -0.155) 5.852 3.236 ( 0.248 -4.352 -4.135) 6.008 3.329 ( 7.180 0.509 -1.589) 7.372 3.379 ( 1.633 1.542 0.992) 2.455 3.495 ( -1.057 -1.434 4.384) 4.733 3.673 ( 0.795 2.618 3.546) 4.479 3.770 ( 3.293 1.067 2.360) 4.190 3.910 ( -2.631 -3.194 0.654) 4.189 3.951 ( 1.742 0.473 0.946) 2.038 4.038 ( -4.585 -3.078 -5.682) 7.924 4.082 ( 1.158 7.616 -4.216) 8.782 4.196 ( 1.352 0.865 -0.437) 1.663 4.283 ( -1.827 0.150 5.697) 5.985 4.337 ( 0.222 -2.256 -3.618) 4.269 4.393 ( 0.058 -2.567 2.172) 3.363 4.516 ( -1.057 -2.252 0.151) 2.492 4.586 ( 1.723 -0.692 5.785) 6.075 4.760 ( 3.582 2.036 -0.802) 4.198 4.857 ( -1.451 -1.463 2.480) 3.224 4.931 ( -2.333 -2.044 -1.360) 3.386 5.125 ( 1.376 3.459 2.043) 4.247 5.257 ( -2.141 2.907 -5.670) 6.722 5.365 ( -0.531 -2.352 -0.682) 2.506 5.529 ( 2.991 -4.063 3.197) 5.973 5.544 ( 0.429 -5.147 2.393) 5.692 5.765 ( -1.336 2.254 0.847) 2.754 5.938 ( 0.042 -9.581 0.066) 9.581 5.944 ( -0.164 -5.477 -2.943) 6.220 6.059 ( -6.291 -7.298 0.920) 9.679 6.150 ( -1.214 -4.730 -4.071) 6.357 6.272 ( -1.230 1.259 -2.509) 3.065 6.301 ( -1.546 -2.264 4.159) 4.981 6.487 ( -1.520 -3.092 -5.357) 6.370 6.678 ( -2.638 -0.426 -1.779) 3.210 6.765 ( 3.839 2.022 -0.491) 4.366 6.845 ( 2.330 -1.248 2.825) 3.869 6.915 ( -0.124 -2.010 -1.059) 2.275 6.942 ( 0.099 5.096 2.332) 5.605 6.996 ( -0.354 -2.197 0.654) 2.319 7.161 ( 1.168 1.483 -1.798) 2.607 7.302 ( 3.447 3.272 -0.067) 4.753 7.461 ( 0.967 -4.033 -0.047) 4.147 7.511 ( 0.704 3.243 -0.398) 3.342 7.546 ( -1.046 -2.352 -0.279) 2.590 7.718 ( -2.490 1.067 4.505) 5.257 7.743 ( 0.946 1.233 -1.670) 2.281 7.826 ( -0.631 0.221 2.031) 2.138 7.917 ( 2.317 2.288 -1.130) 3.447 7.987 ( -1.433 -3.774 -1.634) 4.355 8.017 ( -0.691 -1.521 -1.010) 1.953 8.135 ( 3.519 1.462 0.093) 3.812 8.216 ( 1.861 -2.580 -1.708) 3.611 8.253 ( -1.348 -1.459 0.175) 1.994 8.287 ( -1.544 2.484 1.279) 3.192 8.358 ( -2.671 0.404 1.027) 2.890 8.452 ( -0.452 0.854 -1.296) 1.616 8.534 ( 1.903 -0.293 0.136) 1.930 8.630 ( 0.962 -0.966 0.131) 1.370 8.685 ( -1.902 0.063 -0.271) 1.922 8.795 ( -0.890 -1.799 -3.038) 3.641 9.063 ( 1.507 3.143 2.364) 4.212 9.141 ( 1.038 1.790 3.162) 3.779 9.366 ( -0.052 -1.450 -1.391) 2.010 9.436 ( -0.347 -2.069 -0.888) 2.278 12.997 ( -0.617 11.645 0.274) 11.665 13.075 ( -1.567 13.134 -0.061) 13.227 14.232 ( 1.677 -9.739 1.227) 9.958 14.318 ( 1.576 -7.807 -0.294) 7.970 16.979 ( 0.868 -1.560 0.208) 1.798 17.019 ( 2.397 -2.131 0.716) 3.286 17.210 ( -4.545 2.270 3.633) 6.246 17.217 ( -5.046 0.906 6.131) 7.992 17.334 ( 2.472 -0.173 0.488) 2.526 17.365 ( -0.076 1.390 -3.382) 3.657 17.428 ( -1.745 1.883 -3.327) 4.202 17.578 ( -4.237 -6.419 -7.746) 10.916 17.645 ( 6.772 1.300 5.590) 8.877 17.773 ( 1.922 -2.439 2.773) 4.163 17.970 ( -2.103 0.174 1.524) 2.603 18.001 ( -0.158 -2.153 -0.386) 2.193 18.076 ( -0.537 -2.695 -2.257) 3.556 18.104 ( -0.118 -2.572 -5.409) 5.991 18.194 ( -0.062 -1.185 0.801) 1.431 18.225 ( 0.065 0.192 0.984) 1.004 18.812 ( 2.134 -0.262 -0.254) 2.165 18.888 ( 3.544 0.606 -0.261) 3.605 18.979 ( -4.062 -1.740 2.025) 4.861 19.063 ( -4.238 -1.428 -2.966) 5.366 19.553 ( 2.330 -2.474 1.584) 3.750 19.769 ( -1.078 -4.467 2.729) 5.345 19.789 ( -0.853 0.944 0.727) 1.466 19.905 ( 0.235 -2.311 -3.691) 4.361 ======================= Grid point 132 (66/80) ======================= q-point: (-0.50 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( -14.179 1.187 4.407) 14.895 1.512 ( 14.799 -5.995 -8.340) 18.014 1.799 ( 16.880 6.457 5.736) 18.962 1.899 ( -14.071 5.474 -2.673) 15.333 2.093 ( 4.249 10.736 8.158) 14.137 2.230 ( -0.968 1.377 3.432) 3.822 2.262 ( -4.116 1.812 3.015) 5.414 2.278 ( -3.962 0.348 7.426) 8.424 2.390 ( -0.029 -2.522 0.319) 2.543 2.447 ( -0.428 2.352 -3.410) 4.165 2.540 ( -5.418 8.755 3.134) 10.762 2.623 ( -1.500 6.328 0.980) 6.577 2.716 ( -2.490 6.578 -3.637) 7.918 2.841 ( 0.686 0.347 -3.828) 3.904 2.870 ( -0.527 6.506 -7.055) 9.611 2.939 ( 5.100 1.453 -7.354) 9.066 3.154 ( -4.073 -2.157 0.692) 4.660 3.217 ( 3.429 -2.522 -4.372) 6.102 3.403 ( -1.137 1.831 2.386) 3.215 3.446 ( 2.487 2.582 -0.985) 3.718 3.651 ( 6.183 -0.661 8.757) 10.740 3.762 ( 3.003 1.023 5.150) 6.048 3.822 ( -6.903 -1.252 -2.468) 7.437 3.863 ( -1.860 -3.285 -0.848) 3.869 3.875 ( 2.728 0.602 -2.155) 3.528 3.984 ( 1.156 7.695 -7.408) 10.744 4.114 ( 4.858 -0.021 2.809) 5.611 4.182 ( -3.659 -1.821 -2.886) 5.003 4.306 ( -3.153 3.255 5.042) 6.779 4.357 ( 5.093 1.855 -1.382) 5.593 4.419 ( -0.675 -3.765 4.093) 5.602 4.500 ( 1.112 -1.946 -3.037) 3.775 4.650 ( -0.814 -1.041 6.620) 6.751 4.770 ( -2.021 -0.959 -4.997) 5.474 4.839 ( 1.043 -0.347 1.212) 1.636 4.864 ( -2.165 -0.869 -1.414) 2.728 5.167 ( 1.375 6.559 0.696) 6.738 5.181 ( -2.063 4.899 -0.703) 5.362 5.423 ( 4.696 -2.144 4.451) 6.817 5.492 ( -4.940 -3.696 -2.361) 6.606 5.659 ( 3.728 -5.700 5.554) 8.788 5.774 ( -2.119 -6.050 -3.792) 7.448 5.852 ( -0.538 -3.531 1.965) 4.077 5.895 ( -2.739 -3.532 -2.471) 5.107 6.050 ( 2.417 -4.226 2.660) 5.547 6.137 ( -2.166 -6.828 -7.680) 10.502 6.173 ( 1.839 -7.199 4.175) 8.523 6.334 ( -3.804 -6.669 -11.185) 13.567 6.467 ( 4.767 3.617 11.435) 12.906 6.611 ( -1.886 1.419 -2.092) 3.154 6.811 ( -1.887 -0.680 -0.251) 2.022 6.875 ( 1.345 3.630 -2.408) 4.559 6.915 ( 2.579 -2.215 0.137) 3.403 6.959 ( -0.406 -0.740 -1.445) 1.674 7.028 ( 1.371 4.398 4.819) 6.667 7.119 ( -1.633 3.620 -3.906) 5.570 7.365 ( 0.757 0.764 2.533) 2.752 7.441 ( -0.653 0.979 -4.775) 4.918 7.511 ( -0.922 -1.978 3.260) 3.923 7.550 ( 0.688 -0.499 -0.793) 1.162 7.706 ( -2.907 1.321 3.723) 4.905 7.764 ( 2.855 0.913 -1.741) 3.467 7.843 ( -0.592 0.801 3.162) 3.315 7.916 ( 0.526 -0.189 -3.796) 3.837 7.972 ( 0.072 -2.002 1.406) 2.447 8.004 ( 0.084 -1.270 -1.514) 1.978 8.188 ( 0.518 -1.059 0.389) 1.241 8.208 ( -1.942 -0.627 -1.372) 2.459 8.233 ( -0.224 2.465 2.165) 3.289 8.278 ( 1.759 0.070 -2.226) 2.838 8.351 ( -0.831 -1.056 3.060) 3.342 8.419 ( 0.829 -0.868 -3.828) 4.012 8.589 ( 1.287 0.628 2.362) 2.762 8.612 ( -1.151 0.149 -0.377) 1.220 8.684 ( 0.787 -0.869 1.005) 1.544 8.736 ( -1.449 -1.325 -3.634) 4.131 9.123 ( 1.575 1.997 2.963) 3.905 9.158 ( -1.052 2.009 0.026) 2.268 9.374 ( 1.066 -1.335 0.764) 1.871 9.405 ( -1.242 -1.614 -1.913) 2.794 13.011 ( 0.386 12.018 1.486) 12.115 13.042 ( -0.029 12.688 -1.645) 12.794 14.265 ( -2.681 -8.887 3.635) 9.969 14.335 ( 3.543 -10.363 -3.348) 11.452 17.050 ( 3.901 -1.432 3.677) 5.549 17.090 ( -1.431 -1.256 2.457) 3.108 17.135 ( -0.559 -0.026 -1.890) 1.971 17.156 ( -2.294 0.578 -1.405) 2.752 17.294 ( -4.312 -2.366 5.798) 7.603 17.319 ( -5.676 -1.461 4.399) 7.329 17.426 ( 4.054 0.258 -5.619) 6.934 17.472 ( 3.303 -2.389 -9.560) 10.393 17.826 ( 4.526 1.576 6.246) 7.873 17.856 ( -1.136 0.183 4.463) 4.609 17.961 ( 1.040 0.616 0.117) 1.214 17.975 ( -2.102 -1.378 1.370) 2.863 18.018 ( -1.925 -2.637 -5.197) 6.138 18.052 ( 1.721 -3.264 -5.928) 6.983 18.210 ( -0.047 -0.695 1.348) 1.517 18.223 ( -0.051 -1.173 0.043) 1.175 18.867 ( 3.114 -1.477 1.109) 3.621 18.886 ( -3.953 -2.002 -0.229) 4.437 18.968 ( -3.638 0.672 -0.138) 3.702 18.988 ( 4.903 0.469 -1.636) 5.190 19.647 ( 3.731 -1.831 3.633) 5.521 19.714 ( -4.083 1.248 -2.992) 5.213 19.789 ( -0.953 -4.692 4.724) 6.726 19.879 ( 1.032 -2.255 -4.372) 5.026 ======================= Grid point 133 (67/80) ======================= q-point: (-0.33 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( -13.202 4.643 4.757) 14.781 1.433 ( -20.664 11.700 -2.593) 23.888 1.703 ( 10.514 -3.906 -6.057) 12.748 1.906 ( -6.465 2.282 -5.896) 9.042 2.125 ( -6.178 2.487 6.006) 8.968 2.256 ( -3.113 8.050 5.616) 10.297 2.322 ( 3.003 6.777 1.468) 7.556 2.338 ( -1.253 2.380 -0.909) 2.839 2.408 ( 4.941 5.382 3.295) 8.015 2.463 ( 5.449 3.707 4.679) 8.083 2.574 ( 2.001 5.829 1.084) 6.257 2.672 ( 5.621 5.198 0.716) 7.690 2.734 ( 4.109 2.208 6.666) 8.136 2.820 ( 3.466 3.438 -5.209) 7.139 2.941 ( 8.722 -0.267 0.822) 8.765 3.010 ( 5.462 1.507 -2.396) 6.152 3.092 ( -3.638 -2.304 3.825) 5.760 3.230 ( 0.603 -3.543 -3.697) 5.156 3.350 ( -5.648 4.014 -1.543) 7.099 3.429 ( -1.404 5.762 -2.938) 6.618 3.631 ( -5.373 0.040 -3.331) 6.322 3.690 ( -3.068 -6.785 -2.493) 7.853 3.855 ( 2.649 0.369 -3.630) 4.509 3.914 ( 3.630 3.093 3.590) 5.969 3.931 ( 1.685 1.076 1.482) 2.489 4.002 ( 5.995 1.568 -1.433) 6.360 4.032 ( -4.388 1.313 -4.168) 6.193 4.168 ( -2.464 1.374 0.355) 2.844 4.272 ( -0.513 -1.950 2.757) 3.415 4.408 ( -0.999 0.028 -2.511) 2.702 4.413 ( -0.064 -2.050 0.510) 2.113 4.542 ( 4.546 -1.279 -2.893) 5.538 4.630 ( -3.293 -0.866 0.833) 3.505 4.739 ( -4.818 0.136 1.586) 5.075 4.849 ( 4.928 -1.488 2.210) 5.602 4.904 ( 1.927 -1.866 1.593) 3.119 5.130 ( -2.538 6.003 -0.013) 6.518 5.197 ( 0.552 4.222 1.016) 4.378 5.368 ( -3.776 -3.111 -0.756) 4.950 5.573 ( 2.359 -4.042 -1.051) 4.797 5.615 ( -4.528 -7.247 -3.347) 9.177 5.744 ( 2.424 -2.793 5.272) 6.440 5.871 ( 0.156 -2.263 1.702) 2.836 5.948 ( 2.820 -9.535 0.324) 9.949 6.044 ( 0.565 -6.500 -1.073) 6.613 6.142 ( -1.887 -6.762 -3.572) 7.877 6.162 ( 1.135 -0.755 3.399) 3.662 6.299 ( 3.069 -8.902 6.515) 11.450 6.551 ( 2.487 4.199 -9.170) 10.388 6.660 ( 5.278 1.153 2.910) 6.137 6.728 ( -5.270 1.579 2.780) 6.164 6.880 ( 0.881 -1.030 -2.965) 3.261 6.936 ( 0.251 3.383 -1.625) 3.761 6.960 ( 0.800 -0.601 0.928) 1.365 7.028 ( -2.987 4.705 -3.840) 6.768 7.101 ( 0.847 1.349 3.805) 4.125 7.346 ( -4.040 3.292 -3.839) 6.473 7.395 ( -0.101 -1.643 3.778) 4.121 7.519 ( -1.586 1.074 1.373) 2.357 7.554 ( 0.932 -2.126 -1.203) 2.615 7.690 ( -2.044 0.750 3.226) 3.892 7.796 ( 2.530 1.941 -3.314) 4.599 7.841 ( -2.430 1.536 2.147) 3.588 7.906 ( 1.215 -2.352 -1.423) 3.006 7.981 ( -0.459 0.221 0.161) 0.534 8.008 ( 2.189 -4.213 -0.834) 4.820 8.137 ( -4.018 0.791 -0.108) 4.096 8.178 ( -1.505 -2.416 1.622) 3.276 8.265 ( 1.785 -0.472 -0.362) 1.882 8.304 ( 1.930 0.914 -0.880) 2.309 8.369 ( 0.945 1.458 0.884) 1.950 8.434 ( 2.777 -2.075 -1.242) 3.683 8.549 ( -2.851 0.276 -0.527) 2.912 8.659 ( -1.707 -1.068 -2.267) 3.032 8.671 ( 2.731 0.687 1.337) 3.117 8.729 ( 0.861 -1.248 2.544) 2.962 9.111 ( -1.934 2.959 -2.091) 4.107 9.169 ( 0.456 1.435 0.678) 1.651 9.356 ( -1.407 -1.356 -0.696) 2.074 9.412 ( 1.003 -1.509 1.304) 2.233 13.001 ( -0.730 12.005 -0.051) 12.028 13.085 ( 4.270 12.327 -0.961) 13.081 14.213 ( -4.346 -7.589 2.109) 8.996 14.365 ( 1.810 -11.670 -3.734) 12.386 16.999 ( -2.530 0.034 -1.618) 3.004 17.045 ( -3.018 -0.154 -1.646) 3.441 17.189 ( 0.837 1.291 4.756) 4.998 17.243 ( 5.659 1.315 1.373) 5.970 17.269 ( -5.375 -0.776 6.192) 8.236 17.362 ( 5.194 -2.841 6.600) 8.866 17.437 ( 3.121 -1.576 -3.108) 4.678 17.468 ( 3.631 0.053 -6.240) 7.220 17.763 ( -5.745 3.003 -4.005) 7.620 17.877 ( -2.926 -0.545 -7.246) 7.834 17.934 ( -3.768 -4.843 5.502) 8.242 17.987 ( 2.909 0.111 3.893) 4.861 18.029 ( 2.146 -2.898 -0.921) 3.722 18.057 ( 3.326 -1.632 -1.717) 4.083 18.198 ( -1.057 -1.107 0.275) 1.555 18.244 ( 1.189 -0.747 -0.300) 1.436 18.816 ( -2.468 -0.587 -0.563) 2.599 18.880 ( -3.302 0.773 0.477) 3.424 18.976 ( 4.064 -1.980 2.098) 4.984 19.063 ( 4.655 -0.695 -2.774) 5.463 19.590 ( -4.012 0.466 -1.917) 4.471 19.761 ( 2.087 -2.263 2.099) 3.725 19.803 ( -1.974 -3.731 2.956) 5.153 19.869 ( 2.533 -3.970 -2.540) 5.351 ======================= Grid point 134 (68/80) ======================= q-point: (-0.17 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( -2.488 16.547 8.778) 18.896 1.195 ( -7.295 12.289 7.816) 16.289 1.625 ( -5.757 5.881 -11.530) 14.166 1.907 ( 7.280 -2.641 1.404) 7.871 2.092 ( -9.063 15.942 10.131) 20.951 2.165 ( -6.199 5.131 -10.280) 13.055 2.274 ( 1.629 6.732 -1.554) 7.098 2.319 ( -2.187 2.134 1.269) 3.309 2.439 ( -3.496 4.101 6.906) 8.760 2.607 ( 0.738 2.027 4.932) 5.383 2.686 ( 9.243 10.587 -7.345) 15.857 2.761 ( 0.044 9.284 3.247) 9.836 2.861 ( 2.801 3.463 -1.263) 4.629 2.907 ( 4.013 -3.629 1.924) 5.742 3.008 ( -0.441 5.972 -1.096) 6.088 3.081 ( 1.785 -0.457 4.275) 4.655 3.135 ( -1.751 -3.125 -5.230) 6.338 3.171 ( 5.930 -4.299 -1.034) 7.397 3.258 ( -3.949 0.716 3.423) 5.275 3.352 ( 1.855 5.066 -5.838) 7.949 3.585 ( -0.351 -6.009 -8.762) 10.631 3.610 ( -0.746 -2.245 5.532) 6.016 3.801 ( -1.303 4.069 -4.859) 6.470 3.936 ( -0.445 1.145 -1.281) 1.775 3.966 ( 1.892 2.795 2.246) 4.054 4.048 ( 3.028 -3.167 3.784) 5.789 4.123 ( 3.032 1.296 -4.162) 5.310 4.160 ( 2.523 0.147 3.358) 4.203 4.290 ( -1.754 -4.028 4.159) 6.049 4.333 ( -2.174 0.974 -4.787) 5.347 4.420 ( 0.748 -2.810 -1.204) 3.147 4.540 ( -0.258 -1.871 -1.124) 2.198 4.596 ( -0.954 -0.798 -4.389) 4.562 4.671 ( -2.952 -0.203 2.163) 3.665 4.906 ( 0.862 0.356 -1.996) 2.203 4.940 ( -0.554 -2.130 2.432) 3.280 5.103 ( -0.313 2.582 0.024) 2.601 5.217 ( -1.911 -0.575 3.578) 4.097 5.340 ( -0.612 -3.599 2.494) 4.422 5.523 ( -0.083 -4.805 -0.460) 4.828 5.598 ( 2.881 -5.925 -1.229) 6.701 5.794 ( -1.495 -1.058 -3.525) 3.973 5.871 ( -0.574 -5.226 1.039) 5.359 5.984 ( 1.746 -6.764 -0.162) 6.988 6.105 ( 0.215 -5.838 7.323) 9.368 6.167 ( 6.193 -8.547 6.826) 12.569 6.266 ( 2.765 -1.817 4.374) 5.484 6.389 ( 1.916 -4.757 -2.016) 5.510 6.515 ( 1.802 3.414 -4.882) 6.224 6.686 ( -3.128 1.574 0.488) 3.536 6.708 ( 0.706 -0.748 -0.857) 1.339 6.828 ( -2.705 4.557 -3.432) 6.313 6.920 ( 0.170 -2.803 -1.783) 3.326 6.974 ( 0.184 4.920 0.070) 4.924 7.004 ( 1.925 -0.903 1.128) 2.407 7.125 ( -0.183 -2.318 -0.341) 2.351 7.248 ( -2.220 3.773 -0.767) 4.444 7.439 ( -0.285 -2.498 2.018) 3.224 7.466 ( -2.433 4.104 -0.102) 4.772 7.564 ( -0.309 -3.251 1.064) 3.434 7.699 ( -0.481 0.185 2.759) 2.807 7.793 ( 0.786 1.429 -3.333) 3.711 7.823 ( -1.028 1.252 1.953) 2.537 7.904 ( 0.491 -0.783 -2.481) 2.647 7.970 ( -0.882 -0.070 1.019) 1.350 8.042 ( -0.547 -3.345 -0.007) 3.389 8.094 ( 1.548 -1.047 0.295) 1.892 8.173 ( -0.640 -2.265 1.625) 2.860 8.286 ( 1.591 -1.141 -1.558) 2.503 8.319 ( -0.024 1.294 -0.563) 1.411 8.407 ( 1.467 2.607 0.601) 3.051 8.469 ( 1.682 -2.262 -1.031) 3.001 8.497 ( -1.803 0.383 0.043) 1.844 8.594 ( -2.729 -0.535 -1.133) 3.003 8.745 ( 3.390 0.059 0.417) 3.416 8.766 ( -0.474 -1.709 3.313) 3.758 9.058 ( -1.035 4.111 -2.083) 4.724 9.138 ( -2.026 1.801 -2.965) 4.017 9.357 ( 0.690 -1.590 1.981) 2.632 9.432 ( -0.003 -1.920 0.593) 2.009 13.004 ( 0.508 11.883 1.308) 11.966 13.146 ( 3.911 11.531 -4.287) 12.909 14.171 ( -2.329 -6.855 2.846) 7.779 14.318 ( -1.770 -9.535 -4.180) 10.561 16.989 ( 1.457 0.602 0.851) 1.791 17.009 ( 1.531 1.862 -0.954) 2.592 17.192 ( -4.748 -0.260 3.465) 5.883 17.243 ( -3.716 0.744 7.193) 8.131 17.339 ( 1.979 5.268 0.447) 5.645 17.377 ( -0.551 1.841 -6.578) 6.853 17.440 ( -0.371 2.332 -4.355) 4.954 17.575 ( -4.473 2.926 -9.736) 11.107 17.660 ( 8.814 -4.212 8.974) 13.265 17.813 ( 3.840 -3.185 -2.723) 5.683 17.914 ( -3.703 -4.812 4.525) 7.573 18.017 ( -1.613 -5.996 1.204) 6.325 18.087 ( 3.362 -1.374 0.099) 3.633 18.111 ( 2.576 0.001 0.311) 2.594 18.177 ( -1.683 -0.204 0.095) 1.698 18.248 ( 0.547 -1.279 -1.998) 2.434 18.784 ( -0.405 0.705 -0.167) 0.830 18.829 ( -2.119 1.553 0.067) 2.628 19.071 ( 1.828 -3.966 3.660) 5.698 19.119 ( 5.094 -2.265 -3.567) 6.618 19.532 ( -0.750 -0.263 0.070) 0.798 19.748 ( -3.253 -2.896 -1.277) 4.538 19.797 ( -0.845 -3.415 3.008) 4.629 19.909 ( 1.911 -4.965 -1.053) 5.423 ======================= Grid point 135 (69/80) ======================= q-point: ( 0.00 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( 4.979 16.311 4.915) 17.748 1.594 ( -6.575 11.624 -2.070) 13.515 1.695 ( 14.309 18.763 7.058) 24.629 1.959 ( -12.031 9.214 -14.410) 20.912 2.087 ( 8.537 0.212 2.282) 8.840 2.125 ( -6.223 2.089 -1.957) 6.849 2.414 ( -6.141 3.818 4.978) 8.779 2.432 ( 4.041 1.094 4.249) 5.965 2.603 ( -2.563 -3.845 5.711) 7.347 2.656 ( 0.593 -3.816 1.395) 4.107 2.755 ( -4.141 -3.308 0.220) 5.305 2.797 ( -1.719 -0.644 -0.222) 1.849 2.864 ( 0.993 -0.086 0.722) 1.231 2.981 ( -3.807 5.088 4.269) 7.655 3.031 ( 1.823 9.929 -7.135) 12.362 3.078 ( 0.390 -1.354 -5.660) 5.832 3.238 ( 0.008 5.664 0.161) 5.666 3.257 ( 3.712 2.086 -2.131) 4.762 3.346 ( 6.096 0.300 6.182) 8.687 3.414 ( 1.205 1.869 0.671) 2.323 3.448 ( 0.787 2.595 -3.365) 4.322 3.509 ( -2.911 2.237 -9.514) 10.198 3.893 ( 2.275 -0.459 5.448) 5.922 3.950 ( -0.561 0.785 -1.158) 1.507 3.981 ( 0.272 1.243 1.639) 2.075 4.054 ( -3.071 -0.535 -3.854) 4.956 4.133 ( -0.386 0.674 5.426) 5.481 4.171 ( -3.082 -1.606 2.059) 4.039 4.263 ( 1.668 -4.791 -2.300) 5.570 4.285 ( -0.255 -8.474 -5.129) 9.909 4.342 ( 2.506 2.633 5.731) 6.786 4.464 ( -4.736 -0.414 -3.456) 5.877 4.568 ( 2.374 -0.687 2.109) 3.249 4.625 ( 0.818 0.999 -2.539) 2.848 4.863 ( -2.727 -4.018 1.585) 5.108 4.890 ( 1.862 -3.295 -0.735) 3.855 5.124 ( -4.442 1.365 -0.584) 4.683 5.136 ( 3.309 -0.198 -1.539) 3.655 5.302 ( 1.442 -4.028 3.203) 5.344 5.369 ( -1.342 -5.606 -3.702) 6.850 5.606 ( 5.726 -8.177 3.402) 10.546 5.646 ( -3.596 -7.767 -1.115) 8.631 5.787 ( -1.500 -0.815 3.796) 4.162 5.872 ( 0.682 -2.292 -4.460) 5.060 6.144 ( -3.171 1.480 8.266) 8.976 6.189 ( 7.488 -3.783 3.069) 8.933 6.325 ( 4.422 -3.181 7.257) 9.074 6.411 ( 1.841 -1.675 4.675) 5.296 6.473 ( -2.870 4.179 -11.186) 12.281 6.549 ( -6.346 -3.925 -0.563) 7.483 6.709 ( 1.650 -3.287 -0.125) 3.680 6.862 ( -2.767 0.827 -9.111) 9.558 6.900 ( -1.736 3.699 1.485) 4.347 6.956 ( 2.809 1.919 -4.464) 5.613 7.049 ( -2.398 1.302 3.922) 4.778 7.134 ( 3.883 2.368 -4.706) 6.544 7.307 ( 3.003 0.185 2.584) 3.966 7.346 ( -4.526 -2.290 -1.286) 5.233 7.488 ( -1.870 -0.281 2.016) 2.764 7.540 ( 2.430 -0.186 -2.456) 3.460 7.696 ( -2.016 0.270 4.620) 5.048 7.784 ( 1.212 0.338 -3.369) 3.597 7.853 ( -1.383 0.111 1.522) 2.059 7.892 ( 2.635 -0.246 -1.876) 3.244 7.967 ( -1.073 0.477 3.045) 3.263 8.016 ( 1.235 0.338 -1.910) 2.299 8.134 ( 3.602 -1.516 3.865) 5.496 8.195 ( -1.143 1.583 -1.508) 2.467 8.225 ( -3.997 -2.877 3.651) 6.131 8.307 ( 1.642 0.466 -3.912) 4.269 8.430 ( -0.997 -1.310 0.165) 1.655 8.442 ( 1.036 -0.701 -0.813) 1.492 8.532 ( 1.048 1.332 1.167) 2.058 8.550 ( -1.023 1.167 -0.715) 1.709 8.745 ( -1.706 -0.779 2.534) 3.153 8.783 ( 1.874 -1.123 -1.276) 2.531 9.123 ( 0.004 3.835 -0.676) 3.894 9.132 ( -0.775 3.249 -1.607) 3.707 9.351 ( 0.839 -2.556 1.505) 3.082 9.374 ( -0.646 -2.724 -0.865) 2.930 13.298 ( 0.638 12.780 2.225) 12.988 13.352 ( -0.343 10.656 -3.229) 11.140 14.018 ( -0.575 -9.131 2.604) 9.512 14.067 ( 0.597 -10.543 -2.372) 10.823 17.087 ( -1.477 2.629 2.922) 4.199 17.131 ( 0.982 1.379 -0.775) 1.862 17.159 ( 4.372 2.231 2.429) 5.476 17.205 ( -6.989 1.834 -0.690) 7.258 17.330 ( 0.117 0.837 4.442) 4.521 17.398 ( -6.825 2.143 2.423) 7.553 17.470 ( 3.181 -0.184 -5.892) 6.699 17.513 ( 3.071 1.063 -7.933) 8.573 17.779 ( -6.419 -3.286 4.167) 8.328 17.788 ( -0.278 -2.969 5.209) 6.002 17.851 ( 6.022 -2.245 -2.786) 7.005 17.871 ( 3.801 -3.388 -2.233) 5.560 18.098 ( 2.852 -0.716 -0.430) 2.972 18.110 ( -2.183 -0.363 -1.349) 2.592 18.174 ( -1.159 0.303 1.277) 1.751 18.209 ( 0.450 -0.938 -2.081) 2.327 18.821 ( 0.386 1.345 0.619) 1.530 18.835 ( -0.151 1.842 -0.659) 1.962 18.997 ( -2.851 -4.495 3.097) 6.158 19.066 ( 2.862 -5.494 -3.647) 7.189 19.583 ( -4.894 -0.788 1.477) 5.172 19.603 ( 4.198 0.374 -0.542) 4.249 19.740 ( -3.252 -4.683 4.115) 7.031 19.809 ( 3.525 -4.417 -2.798) 6.306 ======================= Grid point 136 (70/80) ======================= q-point: ( 0.17 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( -6.507 11.312 -2.036) 13.208 1.642 ( -1.550 13.292 -12.837) 18.544 1.734 ( 9.395 15.772 2.610) 18.543 1.914 ( -10.677 1.229 -4.150) 11.521 2.076 ( 9.839 7.225 9.622) 15.543 2.195 ( 1.812 3.225 1.276) 3.913 2.332 ( -5.964 4.636 5.075) 9.101 2.506 ( -4.136 -6.299 -4.441) 8.746 2.528 ( -7.341 -4.931 7.999) 11.924 2.646 ( 0.750 0.146 0.489) 0.907 2.744 ( 1.586 -7.335 -0.273) 7.510 2.773 ( -3.235 2.114 5.056) 6.363 2.893 ( -5.506 10.256 4.370) 12.434 2.979 ( -2.638 -2.571 -1.020) 3.822 3.008 ( 4.184 -2.797 -1.709) 5.315 3.064 ( 0.490 9.706 8.260) 12.754 3.166 ( -3.187 1.371 -8.644) 9.314 3.233 ( 4.872 4.382 -5.816) 8.761 3.347 ( 0.996 3.613 -3.090) 4.857 3.392 ( -2.595 1.204 -2.825) 4.020 3.481 ( 4.633 6.982 -2.550) 8.759 3.661 ( 7.848 -0.879 0.274) 7.902 3.846 ( -3.525 4.066 1.582) 5.609 3.934 ( -0.751 -1.198 -3.071) 3.380 3.991 ( -1.509 0.803 -1.229) 2.106 4.029 ( -0.796 -2.626 5.245) 5.919 4.119 ( -2.882 4.552 2.220) 5.827 4.195 ( -0.119 -2.927 4.702) 5.540 4.227 ( 0.576 -4.723 -1.131) 4.890 4.311 ( 2.885 -5.233 -0.753) 6.023 4.363 ( -1.194 0.046 -3.693) 3.882 4.442 ( 0.359 -1.895 5.913) 6.219 4.554 ( -1.023 2.868 -1.542) 3.413 4.687 ( 4.818 -1.718 -1.348) 5.290 4.826 ( -2.267 -3.042 2.204) 4.388 4.917 ( 1.197 -2.621 -2.247) 3.654 5.084 ( -0.180 0.116 3.273) 3.280 5.222 ( 5.801 -0.128 -0.058) 5.803 5.315 ( -0.302 -4.603 -2.647) 5.318 5.369 ( 2.069 -4.565 2.754) 5.719 5.538 ( -4.250 -4.917 -4.174) 7.725 5.684 ( 0.985 -9.223 0.165) 9.277 5.832 ( 0.991 -2.765 3.878) 4.865 5.865 ( 2.184 -0.868 -2.851) 3.695 6.045 ( -8.739 -1.434 -1.546) 8.990 6.252 ( -2.568 0.414 -11.966) 12.245 6.304 ( -1.228 3.216 5.705) 6.663 6.369 ( -3.853 -2.755 -6.891) 8.362 6.478 ( 2.524 -0.752 1.884) 3.238 6.610 ( 5.129 -1.837 9.076) 10.585 6.713 ( -1.208 -3.866 -5.902) 7.158 6.783 ( -0.552 -4.186 7.409) 8.527 6.878 ( -1.955 4.984 2.317) 5.833 6.967 ( 1.351 1.592 -2.690) 3.405 7.048 ( -1.910 0.841 2.418) 3.195 7.166 ( 4.639 4.331 -4.359) 7.700 7.285 ( 0.336 -2.289 -0.458) 2.358 7.393 ( 1.520 0.597 3.354) 3.730 7.476 ( -1.075 -3.216 0.815) 3.488 7.545 ( 1.345 -0.018 -2.405) 2.756 7.727 ( -0.355 1.768 5.096) 5.406 7.780 ( 1.251 0.995 -3.049) 3.443 7.833 ( -0.837 0.096 -0.599) 1.033 7.900 ( 0.401 -0.604 -0.438) 0.847 7.973 ( 0.854 -0.783 -0.892) 1.462 8.026 ( -2.528 -1.478 -1.967) 3.528 8.107 ( 1.043 -0.353 -1.440) 1.813 8.201 ( 0.253 1.987 -0.345) 2.033 8.233 ( 0.354 0.950 2.336) 2.546 8.332 ( 1.237 0.329 -0.032) 1.280 8.407 ( -1.334 -2.202 0.471) 2.617 8.477 ( 2.053 -0.246 0.028) 2.068 8.513 ( -0.577 1.864 -1.705) 2.591 8.565 ( 1.120 -0.409 0.819) 1.446 8.723 ( -2.616 -0.386 1.618) 3.101 8.786 ( 0.147 -1.869 -2.112) 2.824 9.114 ( -0.087 3.954 0.526) 3.990 9.140 ( 1.110 3.099 1.156) 3.489 9.349 ( -0.652 -2.413 -1.141) 2.748 9.379 ( 0.590 -3.020 0.744) 3.166 13.276 ( -2.317 11.858 -0.576) 12.096 13.354 ( 1.008 12.806 0.075) 12.846 14.006 ( -1.180 -10.633 0.736) 10.723 14.100 ( 3.090 -9.599 -0.773) 10.113 17.017 ( -4.176 1.573 0.419) 4.482 17.049 ( -6.041 1.981 -0.719) 6.398 17.195 ( -0.301 -0.764 4.838) 4.908 17.241 ( -0.049 -0.922 5.138) 5.220 17.311 ( -2.920 2.254 1.999) 4.196 17.425 ( 1.794 -0.594 -7.148) 7.393 17.479 ( 6.387 3.660 6.469) 9.799 17.547 ( 1.706 2.560 -4.180) 5.190 17.668 ( -9.129 -4.681 -1.760) 10.409 17.690 ( -3.840 -4.068 2.492) 6.124 17.933 ( 5.157 -1.474 -4.087) 6.743 17.951 ( 3.230 -2.084 -2.281) 4.470 18.045 ( -1.938 -1.448 -1.003) 2.619 18.106 ( -2.103 -1.770 -0.159) 2.753 18.198 ( 1.782 0.882 2.263) 3.013 18.216 ( 1.357 0.701 -1.397) 2.070 18.805 ( -0.725 0.543 -0.298) 0.954 18.862 ( 1.715 1.465 0.117) 2.259 18.961 ( -3.423 -4.006 2.743) 5.941 19.068 ( 0.567 -4.423 -3.001) 5.375 19.498 ( -3.361 -1.158 1.832) 3.999 19.678 ( -3.006 -5.107 3.087) 6.682 19.742 ( 5.502 0.452 -0.631) 5.557 19.861 ( 3.718 -2.901 -3.548) 5.902 ======================= Grid point 137 (71/80) ======================= q-point: ( 0.33 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( 0.949 6.315 -3.153) 7.122 1.631 ( -1.782 3.707 -5.328) 6.730 1.710 ( 2.825 10.033 -2.003) 10.614 1.939 ( 7.984 8.964 2.163) 12.198 2.142 ( 2.399 -2.476 -1.645) 3.820 2.193 ( -10.106 -5.831 3.783) 12.266 2.270 ( -4.370 -0.476 5.531) 7.065 2.431 ( -7.228 0.214 8.984) 11.532 2.528 ( 3.982 4.502 1.090) 6.108 2.605 ( -10.816 1.921 -4.229) 11.771 2.690 ( -0.316 7.785 2.148) 8.083 2.736 ( -7.182 0.032 -0.424) 7.194 2.792 ( -1.429 -2.646 2.250) 3.756 2.971 ( 0.167 0.939 3.209) 3.347 3.061 ( 4.596 6.373 -6.867) 10.435 3.104 ( 2.808 -5.905 -7.776) 10.160 3.136 ( -6.735 6.036 -4.775) 10.227 3.242 ( 2.494 5.097 -4.383) 7.170 3.325 ( 0.419 0.757 0.866) 1.224 3.364 ( 4.278 -1.205 4.890) 6.608 3.557 ( 3.265 5.906 0.065) 6.749 3.700 ( 2.531 1.970 0.441) 3.237 3.853 ( -2.302 2.239 -0.678) 3.282 3.925 ( -1.023 4.216 -0.462) 4.363 3.963 ( 1.892 -0.019 2.755) 3.342 4.010 ( -1.003 1.856 -0.756) 2.241 4.131 ( -2.788 -3.748 7.208) 8.589 4.194 ( 1.793 -2.560 -2.911) 4.271 4.288 ( 1.468 4.443 2.464) 5.289 4.338 ( 0.481 -1.594 1.452) 2.209 4.373 ( 2.540 1.998 1.904) 3.751 4.466 ( -0.156 -2.272 -0.094) 2.280 4.564 ( 0.224 -0.234 4.360) 4.372 4.746 ( 2.855 -3.719 -0.798) 4.756 4.809 ( -1.953 -2.825 -0.472) 3.466 4.887 ( -0.743 -2.233 -3.442) 4.170 5.158 ( 2.113 0.425 5.086) 5.524 5.315 ( 2.153 -2.355 -0.662) 3.259 5.320 ( 3.073 2.563 -1.767) 4.374 5.431 ( 3.212 -5.066 0.059) 5.999 5.448 ( -1.119 -3.541 -0.458) 3.741 5.697 ( -0.336 -10.199 0.834) 10.239 5.786 ( -4.881 -2.228 -4.063) 6.730 5.888 ( 0.786 -0.302 -0.204) 0.867 5.933 ( -0.962 -4.471 2.114) 5.038 6.075 ( -2.644 -2.886 -10.256) 10.978 6.192 ( -4.776 -2.998 -8.258) 10.000 6.350 ( 1.076 0.295 -3.430) 3.607 6.471 ( -3.293 3.088 3.810) 5.907 6.679 ( -0.055 0.392 2.982) 3.008 6.763 ( 2.295 -2.473 0.497) 3.410 6.847 ( -0.353 -1.697 6.128) 6.369 6.887 ( 0.259 2.512 3.961) 4.698 6.967 ( 0.293 0.047 0.371) 0.475 7.036 ( -0.832 3.209 3.090) 4.532 7.212 ( 3.104 2.282 -4.200) 5.699 7.340 ( 4.115 -1.654 1.574) 4.706 7.401 ( -1.549 0.879 -0.380) 1.822 7.455 ( -0.762 -4.510 -0.662) 4.621 7.574 ( 1.546 0.804 0.455) 1.801 7.743 ( -2.003 1.249 2.257) 3.266 7.776 ( 0.116 2.182 0.697) 2.293 7.824 ( 0.822 -0.563 -0.994) 1.408 7.915 ( -0.136 -1.133 1.847) 2.171 7.944 ( -0.458 -1.576 -3.729) 4.074 7.985 ( 1.788 -1.456 -2.041) 3.080 8.159 ( 3.302 0.844 -1.641) 3.782 8.188 ( 0.439 0.484 -1.747) 1.865 8.254 ( 0.198 1.467 0.784) 1.675 8.336 ( -1.199 1.805 1.076) 2.419 8.368 ( -3.134 0.125 1.376) 3.425 8.471 ( -1.109 -0.215 -4.063) 4.217 8.523 ( 2.014 0.577 1.709) 2.704 8.607 ( 1.669 -1.141 1.009) 2.259 8.687 ( -1.850 0.023 0.277) 1.871 8.748 ( -1.270 -2.438 -2.745) 3.885 9.133 ( 0.607 3.548 1.914) 4.077 9.181 ( 1.072 2.016 1.870) 2.951 9.332 ( 0.115 -1.803 -0.785) 1.970 9.385 ( -0.294 -2.864 -0.210) 2.886 13.247 ( -0.490 12.424 0.759) 12.456 13.352 ( -0.684 13.616 -1.131) 13.680 14.012 ( 0.616 -11.428 1.695) 11.570 14.134 ( 1.200 -10.115 -1.587) 10.309 16.971 ( -1.071 0.638 1.976) 2.336 16.997 ( -0.269 -0.297 2.261) 2.296 17.205 ( -4.699 -1.824 7.826) 9.309 17.236 ( -5.424 -0.243 6.446) 8.428 17.316 ( 0.418 -0.890 -3.056) 3.210 17.368 ( -2.747 -0.702 -5.986) 6.623 17.432 ( -3.155 -1.252 -5.750) 6.677 17.464 ( -3.367 -3.495 -7.308) 8.772 17.686 ( 5.542 2.323 7.949) 9.965 17.758 ( 3.844 0.352 5.233) 6.503 17.953 ( -0.250 -1.014 -0.530) 1.171 17.970 ( 3.070 -0.791 -3.734) 4.898 18.020 ( 0.680 -2.137 -3.027) 3.767 18.071 ( -1.322 -1.681 0.055) 2.139 18.205 ( 0.038 1.886 -1.698) 2.538 18.243 ( 0.004 1.108 0.746) 1.336 18.800 ( 0.544 -0.696 0.008) 0.883 18.878 ( -1.740 -1.988 1.588) 3.083 18.944 ( 0.983 -0.660 -0.113) 1.190 19.028 ( -1.788 -1.947 -1.931) 3.274 19.507 ( 0.854 -1.509 4.454) 4.779 19.660 ( -2.516 -5.261 5.645) 8.116 19.813 ( 2.318 0.748 -3.886) 4.586 19.860 ( 1.841 -1.896 -5.991) 6.548 ======================= Grid point 138 (72/80) ======================= q-point: (-0.50 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( 4.538 0.711 -1.241) 4.758 1.456 ( -2.395 3.194 -5.816) 7.054 1.887 ( 2.920 -2.121 4.323) 5.631 1.961 ( -3.460 -1.542 -3.130) 4.914 2.173 ( 6.122 0.563 7.443) 9.654 2.255 ( 3.513 3.648 3.385) 6.092 2.276 ( -5.459 3.147 0.791) 6.350 2.351 ( -3.464 -0.999 5.370) 6.467 2.370 ( -2.914 6.115 -1.895) 7.034 2.510 ( -1.613 5.616 -7.560) 9.555 2.640 ( 0.476 -2.904 1.649) 3.373 2.719 ( 1.891 0.335 -3.927) 4.372 2.835 ( 0.751 7.343 8.824) 11.504 2.929 ( -8.447 9.350 2.746) 12.896 2.964 ( -5.372 0.579 2.074) 5.788 3.084 ( 1.530 3.024 -3.981) 5.228 3.099 ( 4.478 0.309 -5.098) 6.792 3.167 ( 0.839 0.221 -10.094) 10.132 3.374 ( 2.719 -1.550 3.759) 4.891 3.479 ( 2.177 -2.505 -4.189) 5.344 3.648 ( 5.513 2.742 3.496) 7.080 3.740 ( -4.572 0.162 -5.943) 7.499 3.789 ( 1.064 2.396 5.015) 5.659 3.874 ( -2.528 2.302 -2.151) 4.039 4.010 ( 0.298 5.290 4.225) 6.776 4.076 ( 4.014 2.657 0.754) 4.872 4.128 ( -3.298 -0.893 3.355) 4.789 4.187 ( 1.115 1.171 -1.702) 2.347 4.348 ( -2.340 -1.150 3.633) 4.472 4.383 ( -1.276 0.049 0.835) 1.526 4.396 ( 1.876 5.173 2.719) 6.138 4.476 ( 3.120 -0.183 -2.708) 4.136 4.615 ( -1.393 -1.631 6.222) 6.581 4.733 ( 0.250 -3.143 -4.745) 5.697 4.796 ( 1.351 -3.065 0.319) 3.365 4.822 ( -2.448 -2.895 -2.579) 4.585 5.239 ( 1.005 1.644 3.947) 4.392 5.295 ( -1.183 4.067 -2.874) 5.119 5.372 ( 1.217 -2.759 2.331) 3.811 5.409 ( -1.650 -3.522 -0.682) 3.949 5.534 ( 4.452 -5.876 2.013) 7.642 5.611 ( -4.462 -7.888 -4.833) 10.271 5.773 ( 2.222 -3.418 3.126) 5.138 5.847 ( -2.893 -1.755 -2.378) 4.136 5.978 ( -0.829 -5.114 -2.235) 5.642 6.007 ( 4.142 -2.270 2.769) 5.475 6.058 ( -1.389 -4.023 -3.096) 5.263 6.207 ( -3.704 -5.071 -12.298) 13.809 6.576 ( 3.814 5.478 9.447) 11.567 6.667 ( -2.323 2.752 0.019) 3.602 6.773 ( -1.152 -1.912 1.995) 2.994 6.885 ( 2.434 0.664 -2.996) 3.916 6.943 ( -1.973 1.016 0.348) 2.246 6.964 ( 3.160 1.337 1.648) 3.806 7.097 ( 0.943 2.414 5.500) 6.080 7.183 ( -1.447 1.691 -3.592) 4.225 7.359 ( -2.507 -0.682 0.615) 2.670 7.403 ( 2.539 -2.119 -2.769) 4.313 7.496 ( 4.006 -1.368 2.394) 4.863 7.549 ( -2.893 -0.536 -2.215) 3.683 7.748 ( -2.503 2.245 3.787) 5.064 7.782 ( 0.601 1.550 1.645) 2.338 7.836 ( 0.723 -1.454 0.076) 1.626 7.896 ( 0.331 0.380 -3.539) 3.574 7.945 ( -0.345 -1.761 1.055) 2.082 7.988 ( 0.676 -1.086 -2.397) 2.717 8.171 ( -0.072 -0.019 -0.945) 0.948 8.179 ( -0.413 -0.768 -1.433) 1.678 8.286 ( 1.713 2.015 1.739) 3.165 8.311 ( -1.673 2.428 -0.450) 2.982 8.347 ( -0.094 0.198 2.222) 2.232 8.405 ( -0.521 -0.814 -3.895) 4.013 8.589 ( 1.331 -0.301 2.989) 3.285 8.614 ( -1.312 -0.010 0.187) 1.326 8.670 ( -0.407 -0.478 -0.048) 0.630 8.702 ( 0.355 -1.683 -2.925) 3.393 9.168 ( 0.541 2.315 2.274) 3.290 9.199 ( 0.070 1.962 -0.469) 2.019 9.342 ( 0.557 -1.740 0.874) 2.025 9.365 ( -0.721 -2.162 -1.155) 2.555 13.270 ( 0.999 12.892 2.043) 13.091 13.315 ( -0.771 13.584 -2.445) 13.824 14.052 ( 0.028 -11.484 3.204) 11.923 14.115 ( 0.102 -11.077 -3.151) 11.517 17.037 ( 3.953 0.009 5.301) 6.612 17.065 ( 1.705 -1.072 4.697) 5.111 17.145 ( -3.007 0.756 -2.866) 4.222 17.168 ( -3.776 0.504 -2.928) 4.805 17.229 ( -4.167 -3.080 4.247) 6.700 17.271 ( -4.991 -3.046 6.101) 8.450 17.390 ( 3.537 -2.788 -8.362) 9.497 17.425 ( 4.462 -2.206 -7.515) 9.014 17.826 ( 0.175 -0.338 7.220) 7.230 17.864 ( -0.735 -0.212 7.800) 7.837 17.962 ( 2.527 0.433 -5.104) 5.712 17.985 ( 1.001 1.348 0.459) 1.741 17.999 ( 2.307 -1.205 -4.289) 5.017 18.025 ( -2.029 1.295 -4.119) 4.770 18.207 ( 1.434 0.333 0.390) 1.523 18.218 ( -2.210 0.389 -0.382) 2.276 18.830 ( 1.842 -2.003 1.018) 2.905 18.837 ( -2.674 -2.375 0.641) 3.634 18.973 ( -2.154 -0.049 -0.531) 2.219 18.985 ( 3.044 -0.536 -1.396) 3.392 19.602 ( 2.538 -2.091 6.573) 7.349 19.691 ( -1.827 -4.411 7.656) 9.023 19.736 ( -2.770 0.819 -6.847) 7.431 19.835 ( 1.421 -2.088 -6.853) 7.304 ======================= Grid point 139 (73/80) ======================= q-point: (-0.33 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( -0.586 12.095 -2.372) 12.340 1.581 ( 5.846 -1.019 -0.042) 5.935 1.734 ( -7.167 9.303 -4.266) 12.495 1.955 ( -1.755 -2.079 4.251) 5.047 2.098 ( -10.270 3.900 -1.141) 11.045 2.246 ( 2.395 -6.303 -2.745) 7.280 2.309 ( 2.501 -0.779 1.499) 3.018 2.463 ( 10.539 1.374 5.554) 11.992 2.535 ( -0.723 2.704 0.381) 2.824 2.589 ( 12.345 4.748 3.203) 13.608 2.661 ( 5.299 7.035 1.595) 8.951 2.753 ( 2.408 -9.436 -3.810) 10.458 2.824 ( -4.486 8.590 5.046) 10.926 2.896 ( -2.168 10.436 3.785) 11.311 2.971 ( 2.235 3.959 5.419) 7.073 3.008 ( -3.828 -3.332 -1.420) 5.270 3.142 ( 2.897 1.656 -4.273) 5.422 3.176 ( 5.233 3.783 -0.665) 6.491 3.394 ( -0.575 -0.675 -2.288) 2.453 3.488 ( 1.128 -3.725 -6.006) 7.156 3.583 ( -3.778 3.345 -5.172) 7.226 3.698 ( -6.530 3.944 0.585) 7.651 3.795 ( 4.819 -1.545 3.598) 6.209 3.904 ( 0.358 1.249 1.201) 1.769 4.005 ( -2.204 0.403 -0.646) 2.332 4.096 ( -0.238 5.607 -3.125) 6.423 4.122 ( 1.071 3.057 1.324) 3.500 4.209 ( -0.237 -3.293 -0.278) 3.313 4.245 ( -5.777 5.117 1.721) 7.906 4.357 ( -1.714 -0.391 1.270) 2.169 4.425 ( -1.445 -0.831 1.024) 1.956 4.510 ( 2.564 -1.295 -6.155) 6.792 4.614 ( -0.919 0.366 0.448) 1.086 4.713 ( -5.761 -2.702 1.800) 6.613 4.796 ( 4.935 -3.976 0.319) 6.346 4.845 ( 2.010 -3.444 1.066) 4.128 5.228 ( -3.065 2.666 -2.106) 4.575 5.272 ( -0.903 3.287 2.438) 4.191 5.302 ( -4.366 -2.892 0.476) 5.259 5.468 ( 1.371 -5.393 -1.351) 5.727 5.469 ( -4.248 -6.133 -3.429) 8.211 5.650 ( 5.504 -7.294 5.970) 10.916 5.778 ( -0.647 -4.246 -3.837) 5.760 5.866 ( 1.293 0.089 4.633) 4.811 5.923 ( -2.251 -3.910 0.009) 4.511 6.012 ( -0.601 -5.092 -5.288) 7.365 6.113 ( 3.316 -4.630 -0.275) 5.702 6.159 ( 2.834 -3.950 9.871) 11.003 6.630 ( 2.106 2.861 -5.982) 6.957 6.719 ( 3.430 2.953 1.706) 4.837 6.757 ( -3.684 1.749 2.762) 4.925 6.876 ( 2.822 0.772 -4.858) 5.671 6.934 ( 0.377 0.059 0.069) 0.387 7.018 ( 1.924 2.823 -1.838) 3.879 7.111 ( -1.426 3.315 -3.868) 5.290 7.131 ( -2.887 1.230 4.064) 5.134 7.337 ( -1.485 -2.880 2.244) 3.942 7.406 ( -0.029 2.724 -3.325) 4.298 7.475 ( -0.296 -4.143 -1.628) 4.461 7.576 ( 1.241 1.032 0.772) 1.789 7.717 ( -3.406 2.185 3.644) 5.445 7.800 ( 0.536 -1.795 -1.836) 2.623 7.857 ( -1.017 -0.418 3.266) 3.447 7.870 ( 0.633 0.299 -2.714) 2.803 7.934 ( -0.897 -2.840 1.107) 3.178 7.975 ( 0.674 -0.725 -2.109) 2.330 8.135 ( -3.181 -0.569 0.309) 3.246 8.159 ( -1.089 0.707 1.099) 1.701 8.276 ( 0.008 1.684 -1.335) 2.149 8.337 ( 1.219 1.912 1.283) 2.605 8.390 ( 1.279 -2.270 0.463) 2.647 8.408 ( 3.148 1.374 0.390) 3.457 8.547 ( -3.186 -0.200 -0.752) 3.279 8.624 ( -1.902 -2.101 0.387) 2.861 8.684 ( 2.427 0.531 1.278) 2.794 8.712 ( 1.753 -0.465 -0.750) 1.962 9.170 ( -0.850 2.633 -1.171) 3.004 9.201 ( 0.323 1.569 -0.312) 1.632 9.325 ( -1.313 -1.508 -0.120) 2.003 9.375 ( 0.855 -2.051 0.601) 2.302 13.267 ( -0.786 13.508 -0.971) 13.566 13.334 ( 2.623 11.995 0.435) 12.286 14.031 ( -2.632 -9.894 0.256) 10.241 14.117 ( 0.767 -12.391 -0.443) 12.423 17.021 ( -0.963 2.019 -2.506) 3.359 17.060 ( -0.731 1.381 -3.538) 3.868 17.199 ( 0.115 -0.329 4.620) 4.634 17.224 ( -2.254 -2.286 7.539) 8.194 17.273 ( 3.643 0.196 5.456) 6.564 17.293 ( 8.483 -2.656 6.952) 11.285 17.391 ( 4.290 -2.627 -6.928) 8.562 17.433 ( 3.992 -3.313 -6.782) 8.538 17.822 ( -5.868 2.067 0.718) 6.262 17.857 ( -3.884 -0.364 -1.994) 4.381 17.895 ( -2.752 -0.337 -0.026) 2.772 17.938 ( -1.045 -1.509 -3.540) 3.988 18.017 ( 2.880 -0.449 -2.502) 3.841 18.065 ( 3.337 1.155 0.739) 3.608 18.183 ( -0.933 0.233 0.678) 1.176 18.246 ( 1.103 0.338 0.568) 1.285 18.799 ( -1.187 -0.770 0.229) 1.433 18.882 ( 0.629 -1.171 1.082) 1.714 18.939 ( 0.130 -0.859 0.362) 0.941 19.027 ( 2.702 -2.269 -1.853) 3.985 19.605 ( -2.892 1.194 -5.028) 5.922 19.709 ( 0.380 -2.654 5.018) 5.689 19.724 ( -2.872 -3.617 6.588) 8.046 19.789 ( 1.385 -3.781 -5.151) 6.538 ======================= Grid point 140 (74/80) ======================= q-point: (-0.17 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( 5.624 18.872 5.249) 20.380 1.507 ( -1.561 16.832 -1.726) 16.992 1.795 ( -5.204 9.285 -2.558) 10.946 1.870 ( 7.677 0.788 -1.230) 7.815 2.081 ( 1.187 -6.430 6.166) 8.987 2.257 ( -1.110 -0.031 -0.115) 1.117 2.400 ( 2.263 0.062 2.969) 3.734 2.452 ( -6.142 6.862 -4.544) 10.269 2.610 ( -2.463 9.600 7.438) 12.392 2.628 ( -1.205 -0.788 -1.621) 2.168 2.749 ( 4.094 -7.702 -5.984) 10.578 2.825 ( 0.933 0.413 1.158) 1.544 2.904 ( 5.271 -3.623 0.992) 6.472 2.977 ( 1.563 6.223 -2.297) 6.815 2.984 ( 7.660 -0.029 7.770) 10.911 3.009 ( -0.811 4.016 0.911) 4.197 3.153 ( 2.380 2.053 0.130) 3.146 3.265 ( 1.267 8.888 -1.703) 9.138 3.311 ( -3.702 2.407 -5.484) 7.041 3.412 ( 1.328 -3.015 -3.348) 4.697 3.475 ( -3.101 4.478 -2.316) 5.919 3.656 ( -1.470 4.087 0.000) 4.344 3.866 ( -3.681 -1.377 1.738) 4.298 3.912 ( 3.738 0.936 1.751) 4.233 3.954 ( -1.262 -2.984 -1.874) 3.743 4.072 ( 0.822 1.098 1.595) 2.104 4.148 ( 2.067 -1.061 -1.169) 2.600 4.191 ( -2.588 0.772 -2.686) 3.809 4.230 ( -0.258 4.165 7.415) 8.509 4.335 ( -0.564 -6.482 -2.385) 6.929 4.351 ( -3.575 0.352 -4.273) 5.582 4.495 ( 2.157 -1.261 -0.908) 2.659 4.579 ( -2.753 0.517 -2.481) 3.742 4.652 ( -2.757 -1.562 2.104) 3.803 4.862 ( 1.126 -4.961 1.477) 5.297 4.881 ( 1.110 -3.129 -1.247) 3.546 5.147 ( -1.904 0.516 -2.811) 3.434 5.228 ( -5.039 2.797 0.079) 5.764 5.267 ( -1.023 -3.221 2.048) 3.952 5.410 ( 0.200 -5.522 -0.642) 5.563 5.476 ( 2.536 -5.408 0.455) 5.990 5.707 ( -1.275 -9.689 -2.596) 10.112 5.812 ( -3.883 1.043 1.167) 4.187 5.869 ( 5.571 -4.163 2.146) 7.278 5.992 ( 4.323 -4.391 3.667) 7.171 6.038 ( 2.385 -2.718 8.549) 9.282 6.198 ( 2.029 -3.893 5.448) 6.996 6.306 ( 2.857 -3.455 7.723) 8.931 6.605 ( 1.420 4.190 -8.633) 9.701 6.683 ( -3.395 0.238 -4.776) 5.865 6.718 ( -1.374 -0.002 -1.793) 2.259 6.892 ( 1.165 1.504 -1.260) 2.282 6.945 ( 2.060 4.196 -3.602) 5.902 6.996 ( -0.853 -0.175 -5.110) 5.184 7.082 ( -5.079 1.530 3.588) 6.404 7.096 ( 3.424 3.303 -2.498) 5.373 7.287 ( -2.156 -0.842 -1.220) 2.616 7.405 ( -0.599 -1.008 1.477) 1.886 7.494 ( 1.564 -2.301 0.218) 2.791 7.541 ( -2.263 2.123 -2.306) 3.866 7.703 ( -2.674 0.402 3.994) 4.823 7.815 ( -0.865 0.522 -3.076) 3.237 7.823 ( 2.612 -1.035 0.496) 2.854 7.873 ( -1.283 -1.269 1.971) 2.672 7.954 ( 0.255 -2.642 1.433) 3.017 7.997 ( 3.374 -0.053 -0.188) 3.379 8.078 ( -2.707 -0.208 1.373) 3.042 8.168 ( 0.179 1.541 2.386) 2.846 8.270 ( 0.087 -0.548 -1.353) 1.463 8.344 ( -1.285 1.363 -0.550) 1.953 8.412 ( 1.035 -3.099 -0.040) 3.268 8.477 ( 1.203 3.612 0.634) 3.860 8.486 ( -1.053 -1.386 0.068) 1.742 8.583 ( -1.612 -0.404 -0.790) 1.840 8.734 ( 0.008 -0.912 2.871) 3.013 8.746 ( 2.802 -0.276 -0.928) 2.964 9.140 ( -0.448 3.761 -1.839) 4.211 9.176 ( -1.259 1.792 -2.228) 3.124 9.323 ( 0.267 -1.655 1.433) 2.205 9.387 ( -0.053 -2.540 -0.033) 2.541 13.263 ( 0.775 12.995 0.500) 13.028 13.372 ( 1.333 10.821 -1.478) 11.003 14.002 ( -0.723 -9.388 1.037) 9.473 14.103 ( -1.428 -11.294 -0.939) 11.422 17.027 ( 2.931 3.073 -0.741) 4.310 17.063 ( 4.206 3.064 -2.090) 5.608 17.181 ( -4.668 -0.675 3.905) 6.123 17.240 ( -3.563 -0.619 8.656) 9.381 17.375 ( 0.524 -1.944 -6.342) 6.653 17.408 ( 6.069 0.012 -4.075) 7.311 17.472 ( 0.639 1.090 2.320) 2.642 17.565 ( 8.595 -2.934 5.117) 10.424 17.657 ( -3.224 3.319 -6.472) 7.956 17.772 ( 1.864 -0.480 -5.736) 6.051 17.845 ( -4.674 -2.083 4.159) 6.594 17.906 ( -2.900 -4.397 1.898) 5.598 18.051 ( 3.028 -1.162 -1.786) 3.703 18.112 ( 1.859 -1.311 -0.515) 2.332 18.189 ( -0.501 1.669 1.329) 2.191 18.240 ( -1.020 0.162 -1.650) 1.946 18.798 ( 0.644 0.802 0.385) 1.098 18.863 ( -1.705 1.727 -0.045) 2.427 18.985 ( 1.546 -4.265 1.785) 4.875 19.050 ( 2.008 -3.963 -2.498) 5.097 19.543 ( 1.026 1.416 -2.565) 3.104 19.688 ( -5.496 -2.626 3.107) 6.838 19.728 ( -0.232 -3.312 1.631) 3.699 19.800 ( 0.383 -5.268 0.361) 5.295 ======================= Grid point 141 (75/80) ======================= q-point: ( 0.00 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( -2.829 12.853 2.731) 13.441 1.890 ( 0.040 15.279 4.017) 15.798 1.973 ( 4.701 2.449 0.189) 5.304 2.059 ( -0.476 3.383 -3.929) 5.206 2.150 ( 8.549 9.677 3.679) 13.427 2.237 ( -1.627 2.857 -0.938) 3.419 2.279 ( -3.096 -12.693 7.420) 15.025 2.412 ( -2.065 -11.717 -6.864) 13.735 2.443 ( 3.054 0.422 1.790) 3.565 2.553 ( -5.297 1.339 -5.355) 7.650 2.641 ( -1.591 -9.581 -3.315) 10.262 2.656 ( 0.294 -6.892 -4.205) 8.079 2.992 ( -1.734 5.419 2.369) 6.163 3.021 ( -0.550 0.515 -0.288) 0.807 3.147 ( -2.354 4.407 3.145) 5.903 3.187 ( 4.603 0.482 -0.024) 4.628 3.264 ( 1.335 2.197 2.108) 3.324 3.287 ( 1.232 -0.138 -0.363) 1.291 3.393 ( -2.132 3.597 -0.315) 4.193 3.423 ( -0.037 1.514 -1.858) 2.397 3.631 ( 1.459 12.016 1.916) 12.255 3.688 ( -0.992 11.036 -3.194) 11.532 3.852 ( -1.300 -0.678 5.196) 5.399 3.887 ( 3.285 -7.237 2.241) 8.258 3.914 ( -1.696 -9.680 4.603) 10.851 3.991 ( -0.539 -9.306 -3.982) 10.136 4.112 ( 1.190 1.540 -2.236) 2.964 4.156 ( 1.781 -0.055 -5.581) 5.859 4.195 ( -2.353 2.643 1.999) 4.064 4.227 ( -2.257 -0.312 -1.113) 2.536 4.389 ( -0.077 1.466 2.203) 2.647 4.429 ( -2.526 -2.557 -1.505) 3.897 4.600 ( -2.498 3.683 3.340) 5.564 4.663 ( 1.957 0.369 -2.468) 3.171 4.771 ( -0.643 -2.657 1.350) 3.048 4.810 ( 3.174 -4.082 -2.120) 5.589 5.148 ( 1.902 2.002 0.622) 2.831 5.177 ( -2.355 1.404 -2.133) 3.474 5.247 ( 1.094 -0.918 0.551) 1.531 5.277 ( -1.489 -2.985 -2.673) 4.275 5.467 ( 2.449 -3.572 1.322) 4.529 5.493 ( -1.141 -5.550 -1.206) 5.793 5.789 ( -1.167 0.563 1.430) 1.930 5.820 ( 0.643 -2.464 -1.883) 3.167 6.173 ( 8.100 1.804 8.427) 11.827 6.217 ( 2.871 2.328 9.868) 10.538 6.255 ( 1.282 -0.672 7.435) 7.575 6.351 ( -0.015 -4.895 5.465) 7.337 6.504 ( -6.282 0.859 -3.630) 7.306 6.535 ( -4.158 -0.552 -4.314) 6.017 6.689 ( 0.354 3.073 -8.711) 9.244 6.790 ( -0.342 -5.261 -12.849) 13.888 6.985 ( -0.903 3.343 1.920) 3.959 7.021 ( 0.161 0.550 -0.460) 0.735 7.092 ( -2.943 4.257 2.028) 5.558 7.163 ( 3.045 -0.632 -4.069) 5.121 7.275 ( 0.669 -1.572 0.120) 1.712 7.295 ( 0.562 -2.337 -1.663) 2.923 7.500 ( -1.839 1.266 1.235) 2.552 7.527 ( 0.587 -1.147 -1.354) 1.869 7.729 ( -0.848 2.470 4.245) 4.984 7.775 ( 0.082 -1.557 0.875) 1.787 7.859 ( 0.474 0.773 -1.189) 1.495 7.879 ( 1.800 -0.923 -1.947) 2.808 8.004 ( 1.349 3.063 2.994) 4.491 8.042 ( -0.944 2.448 -0.657) 2.704 8.081 ( 3.545 -3.400 3.743) 6.175 8.124 ( -4.180 -4.632 0.155) 6.241 8.282 ( 1.093 4.335 1.533) 4.727 8.334 ( 0.016 1.365 -3.036) 3.329 8.382 ( 0.274 -2.379 0.615) 2.472 8.406 ( -0.900 -2.498 -1.449) 3.025 8.566 ( -0.084 1.442 1.217) 1.889 8.575 ( -0.261 0.673 0.312) 0.786 8.739 ( -0.512 0.327 0.895) 1.082 8.757 ( 0.901 -1.239 -0.861) 1.757 9.190 ( -0.270 2.433 -0.414) 2.483 9.195 ( 0.233 2.305 -1.015) 2.529 9.303 ( 0.129 -1.621 0.561) 1.721 9.317 ( -0.465 -2.549 -0.864) 2.731 13.559 ( 0.806 12.231 0.429) 12.265 13.571 ( -0.451 10.449 -0.735) 10.484 13.814 ( -0.965 -10.169 1.360) 10.305 13.835 ( 0.914 -11.622 -0.798) 11.685 17.136 ( -3.799 1.809 3.996) 5.803 17.155 ( -0.130 0.190 3.213) 3.221 17.200 ( 2.035 2.589 -0.290) 3.306 17.242 ( -4.637 0.070 -3.813) 6.003 17.336 ( 5.336 1.226 4.478) 7.073 17.389 ( 0.141 -2.580 1.090) 2.804 17.470 ( -1.917 0.759 -4.761) 5.188 17.499 ( 0.178 -1.728 -5.975) 6.222 17.743 ( -7.283 -0.457 4.506) 8.576 17.749 ( -5.504 -0.955 4.616) 7.247 17.826 ( 7.729 -0.132 -3.643) 8.545 17.835 ( 8.246 -0.866 -4.177) 9.285 18.096 ( 2.663 0.365 -0.087) 2.689 18.105 ( -0.185 -0.318 -0.642) 0.740 18.179 ( -1.701 0.310 -0.280) 1.751 18.191 ( -1.014 -0.806 -1.381) 1.893 18.854 ( -1.159 1.894 1.316) 2.581 18.875 ( 0.109 1.646 -0.347) 1.686 18.921 ( -1.481 -2.171 1.242) 2.907 18.962 ( 2.122 -4.300 -2.419) 5.370 19.578 ( -6.516 0.976 3.863) 7.638 19.615 ( -0.932 -1.344 1.950) 2.545 19.675 ( 1.779 0.259 0.334) 1.828 19.727 ( 5.363 -3.573 -3.065) 7.136 ======================= Grid point 142 (76/80) ======================= q-point: ( 0.17 0.44 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( -10.711 14.662 3.999) 18.593 1.861 ( -5.949 4.522 -6.255) 9.745 1.987 ( -4.738 7.785 -5.117) 10.451 2.049 ( 0.602 5.805 -3.487) 6.799 2.098 ( 3.937 6.159 2.205) 7.635 2.188 ( -12.859 -12.724 1.972) 18.198 2.241 ( -2.286 -4.418 -0.927) 5.061 2.416 ( 3.570 -11.616 -2.104) 12.333 2.498 ( 7.605 7.113 3.433) 10.965 2.595 ( -0.849 -0.193 2.675) 2.813 2.608 ( 3.633 -1.335 2.966) 4.876 2.780 ( 0.002 -10.062 -2.046) 10.268 2.842 ( -0.840 3.200 3.356) 4.713 2.929 ( -5.244 -4.588 1.769) 7.189 3.152 ( -6.206 10.382 1.764) 12.224 3.232 ( -0.956 3.522 -4.772) 6.008 3.255 ( 3.440 3.814 3.652) 6.302 3.293 ( 1.305 0.754 -6.347) 6.523 3.396 ( -2.592 0.777 1.640) 3.164 3.446 ( 1.931 1.431 -0.623) 2.483 3.660 ( 1.257 10.593 -2.703) 11.004 3.738 ( 5.145 8.060 2.936) 10.002 3.830 ( -4.039 -2.834 2.788) 5.667 3.874 ( 0.344 -2.376 -3.021) 3.859 3.924 ( -2.061 -10.890 0.677) 11.104 4.006 ( 4.113 -8.268 0.335) 9.241 4.091 ( -0.587 4.275 -1.201) 4.479 4.144 ( 0.872 -0.460 -1.117) 1.490 4.244 ( 3.311 2.639 2.282) 4.809 4.269 ( 4.128 0.112 4.070) 5.798 4.377 ( -1.947 0.695 1.677) 2.662 4.397 ( -2.254 -1.793 4.058) 4.976 4.586 ( -1.920 1.141 1.929) 2.951 4.658 ( -0.937 -3.496 -0.431) 3.645 4.779 ( 2.281 1.667 -2.646) 3.871 4.854 ( 3.211 -3.747 -3.944) 6.317 5.124 ( -0.124 3.776 0.706) 3.843 5.207 ( 1.978 -3.198 0.171) 3.764 5.260 ( 2.318 0.500 0.658) 2.461 5.295 ( 2.165 -2.576 0.971) 3.503 5.454 ( -0.649 -1.499 -2.493) 2.981 5.509 ( 1.102 -6.492 -0.129) 6.586 5.801 ( 0.212 0.045 1.692) 1.706 5.829 ( 1.340 -2.255 -0.143) 2.627 6.096 ( -7.649 4.890 -8.854) 12.682 6.207 ( -6.405 -5.115 -12.253) 14.742 6.350 ( 4.159 2.280 -1.330) 4.926 6.376 ( -2.378 0.950 -2.860) 3.839 6.488 ( 2.829 2.640 11.222) 11.870 6.587 ( 2.377 -4.821 8.240) 9.838 6.626 ( -1.245 1.220 -0.084) 1.745 6.700 ( -0.206 -4.221 0.945) 4.331 6.967 ( -2.831 3.308 2.736) 5.142 7.009 ( -0.786 -0.012 0.068) 0.789 7.079 ( -0.972 4.125 2.517) 4.929 7.184 ( 1.518 -4.452 -1.346) 4.893 7.268 ( 2.535 3.033 -2.542) 4.700 7.344 ( 2.759 -3.994 -1.736) 5.156 7.485 ( -1.130 2.321 1.939) 3.228 7.526 ( 0.473 -1.529 0.184) 1.611 7.775 ( 1.245 2.221 3.390) 4.240 7.794 ( 1.272 0.271 -0.797) 1.525 7.840 ( -0.845 0.655 -2.482) 2.703 7.867 ( -0.283 -1.971 -2.059) 2.864 7.959 ( -1.520 0.006 -1.169) 1.917 7.988 ( -4.412 -2.291 -0.738) 5.026 8.140 ( 5.000 3.739 -0.134) 6.245 8.220 ( 4.041 -2.632 1.445) 5.034 8.271 ( -1.458 3.356 -1.885) 4.116 8.339 ( 0.750 -1.772 -0.487) 1.985 8.363 ( -0.158 1.347 1.134) 1.768 8.430 ( 1.650 -3.392 0.499) 3.805 8.560 ( -0.549 1.779 0.023) 1.862 8.574 ( -0.401 0.440 0.618) 0.858 8.722 ( -1.893 0.554 0.503) 2.036 8.748 ( -0.792 -1.739 -1.388) 2.362 9.189 ( 0.230 2.921 0.289) 2.944 9.198 ( 0.729 2.135 -0.103) 2.258 9.301 ( -0.360 -1.728 -0.191) 1.776 9.315 ( 0.197 -2.806 0.860) 2.941 13.519 ( -1.991 11.678 -0.091) 11.847 13.610 ( 2.103 11.165 -0.586) 11.376 13.781 ( -1.772 -10.189 0.766) 10.370 13.881 ( 2.808 -11.460 -0.692) 11.820 17.062 ( -5.845 2.332 1.371) 6.441 17.085 ( -7.485 0.757 0.176) 7.525 17.177 ( -3.178 -0.244 6.124) 6.904 17.204 ( -3.371 -2.235 5.425) 6.767 17.354 ( 1.149 2.022 -4.082) 4.698 17.395 ( 1.847 -1.926 -7.893) 8.332 17.535 ( 6.658 1.811 3.202) 7.607 17.566 ( 3.588 -0.931 -1.852) 4.144 17.614 ( -8.883 -0.139 1.855) 9.076 17.635 ( -5.614 -1.561 4.926) 7.630 17.918 ( 5.699 -0.087 -5.011) 7.589 17.924 ( 5.275 -0.664 -4.796) 7.161 18.036 ( -3.200 0.609 -0.958) 3.396 18.066 ( -3.229 -1.959 -0.632) 3.829 18.217 ( 2.868 0.781 1.644) 3.397 18.225 ( 2.306 0.074 0.378) 2.338 18.821 ( -2.291 1.288 0.871) 2.769 18.861 ( -2.929 -2.218 2.097) 4.230 18.926 ( 1.734 1.633 -0.599) 2.456 18.984 ( 1.684 -3.628 -1.651) 4.327 19.505 ( -4.506 1.920 4.145) 6.417 19.573 ( -4.644 -4.515 4.619) 7.956 19.766 ( 6.969 1.598 -3.699) 8.050 19.806 ( 5.796 -2.341 -4.566) 7.741 ======================= Grid point 143 (77/80) ======================= q-point: ( 0.33 0.44 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( -9.198 11.954 2.127) 15.233 1.689 ( -6.274 1.638 -5.442) 8.465 1.850 ( -2.236 -0.934 -5.854) 6.335 1.920 ( -9.886 -11.024 -1.340) 14.868 2.082 ( 3.714 7.047 3.988) 8.908 2.236 ( 0.424 -4.354 3.604) 5.668 2.268 ( 7.959 10.380 0.027) 13.080 2.440 ( -2.859 -1.766 0.990) 3.503 2.500 ( -4.092 -2.572 -0.604) 4.871 2.615 ( -4.356 -5.586 -2.304) 7.448 2.669 ( 4.563 0.326 1.234) 4.738 2.705 ( 2.146 -2.017 3.012) 4.212 2.940 ( -0.167 1.698 1.006) 1.981 2.955 ( 0.227 -1.454 0.029) 1.472 2.999 ( -8.299 7.820 -2.424) 11.658 3.183 ( -3.309 -0.237 0.281) 3.329 3.226 ( -2.609 -2.258 -4.870) 5.969 3.247 ( -2.210 2.103 -3.026) 4.297 3.393 ( 2.926 4.396 1.958) 5.632 3.428 ( 1.284 3.420 -2.694) 4.539 3.692 ( 0.954 7.434 0.307) 7.502 3.778 ( 0.863 4.644 2.811) 5.496 3.817 ( -0.254 -3.676 -5.921) 6.974 3.865 ( 0.366 -5.481 6.808) 8.748 4.020 ( 4.037 -3.676 1.529) 5.670 4.031 ( 2.222 -2.891 0.414) 3.669 4.095 ( 0.226 6.316 0.804) 6.371 4.164 ( 1.100 0.009 0.266) 1.132 4.337 ( 0.939 2.134 5.572) 6.041 4.384 ( -0.540 1.499 4.923) 5.175 4.400 ( 2.234 1.342 4.974) 5.616 4.412 ( 2.034 -0.996 2.731) 3.548 4.576 ( 0.070 -0.120 0.922) 0.933 4.633 ( -1.244 -5.754 0.074) 5.888 4.781 ( 1.469 1.372 -4.843) 5.244 4.837 ( 0.292 -2.845 -5.182) 5.919 5.183 ( 2.581 2.580 3.542) 5.086 5.257 ( 2.964 -3.659 0.391) 4.725 5.333 ( 1.790 -0.720 1.944) 2.739 5.347 ( 2.585 -2.448 0.733) 3.635 5.428 ( 1.242 1.837 -3.120) 3.828 5.515 ( 0.364 -6.696 -1.288) 6.829 5.791 ( -2.285 2.634 -1.620) 3.845 5.859 ( -1.005 -3.214 1.612) 3.733 5.900 ( -1.856 1.847 -3.413) 4.301 5.980 ( -4.025 -5.371 -9.930) 11.986 6.219 ( -3.563 4.055 -11.177) 12.412 6.304 ( -2.101 -3.656 -11.740) 12.474 6.578 ( -0.905 5.723 8.078) 9.941 6.677 ( 2.302 -3.038 5.266) 6.500 6.715 ( 0.215 0.816 4.247) 4.330 6.777 ( 0.698 -4.116 11.808) 12.524 6.951 ( -1.215 3.252 2.279) 4.153 6.993 ( -0.756 0.117 -0.360) 0.845 7.100 ( -0.421 4.123 4.569) 6.168 7.195 ( -0.139 -3.954 -0.211) 3.962 7.317 ( 4.553 0.737 -1.531) 4.860 7.360 ( 2.158 -3.442 -2.283) 4.660 7.472 ( -1.578 3.896 -0.478) 4.230 7.548 ( -0.095 -2.995 0.561) 3.048 7.771 ( -1.572 1.719 0.051) 2.329 7.806 ( 0.065 -1.166 -1.550) 1.941 7.829 ( 1.070 2.309 1.871) 3.159 7.874 ( 2.059 -2.440 -0.300) 3.207 7.931 ( 0.238 0.463 -1.663) 1.742 7.955 ( 0.980 -1.575 -1.886) 2.646 8.197 ( 2.021 2.638 -2.022) 3.890 8.219 ( -0.636 1.335 -2.814) 3.179 8.278 ( 0.755 0.972 1.326) 1.809 8.327 ( -0.794 -2.839 0.295) 2.963 8.388 ( -0.166 2.275 0.540) 2.344 8.437 ( -1.168 -2.300 -1.059) 2.788 8.561 ( 1.120 2.051 -0.247) 2.350 8.589 ( 1.346 -0.759 0.892) 1.784 8.687 ( -1.931 0.155 0.346) 1.968 8.704 ( -1.968 -1.645 -1.359) 2.903 9.201 ( 0.395 2.718 0.754) 2.848 9.217 ( 1.009 1.198 0.232) 1.584 9.300 ( 0.029 -0.870 0.498) 1.003 9.323 ( -0.231 -2.803 0.690) 2.896 13.502 ( -0.272 12.254 1.378) 12.334 13.622 ( 0.445 11.227 -2.046) 11.421 13.776 ( -0.139 -10.108 1.924) 10.290 13.905 ( 0.972 -11.950 -2.255) 12.200 16.991 ( -3.095 0.869 3.559) 4.796 16.997 ( -2.825 0.087 3.517) 4.512 17.173 ( -4.088 -0.413 7.375) 8.442 17.199 ( -4.515 -2.420 8.259) 9.718 17.320 ( -1.061 0.962 -6.653) 6.805 17.345 ( -1.523 -1.359 -7.082) 7.370 17.409 ( -3.977 -0.114 -7.248) 8.268 17.424 ( -3.198 -1.275 -6.702) 7.535 17.731 ( 3.739 1.899 8.161) 9.175 17.759 ( 3.564 -0.653 7.566) 8.389 17.950 ( 3.034 0.522 -3.724) 4.832 17.959 ( 3.888 -0.378 -4.725) 6.131 18.000 ( -0.003 0.271 -0.714) 0.763 18.029 ( -0.715 -2.147 1.288) 2.604 18.244 ( 0.030 1.456 -1.264) 1.928 18.258 ( 0.070 0.112 -0.131) 0.186 18.795 ( -1.186 0.485 0.834) 1.529 18.825 ( -2.692 -2.374 1.775) 4.004 18.954 ( 1.725 1.222 -0.800) 2.260 18.987 ( 0.164 -1.941 -1.198) 2.287 19.505 ( -1.152 1.412 6.623) 6.869 19.563 ( -2.391 -4.019 7.035) 8.448 19.822 ( 3.477 0.286 -6.710) 7.563 19.832 ( 3.240 -0.823 -7.401) 8.120 ======================= Grid point 144 (78/80) ======================= q-point: (-0.50 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( -0.249 5.955 3.037) 6.689 1.567 ( 0.273 3.247 -5.238) 6.168 1.741 ( -5.497 -5.100 2.326) 7.851 1.842 ( 5.095 -8.502 -6.370) 11.782 2.242 ( 3.965 2.218 3.400) 5.675 2.283 ( -1.734 -2.342 0.463) 2.950 2.344 ( 2.552 4.826 4.747) 7.234 2.384 ( -3.277 3.464 1.008) 4.874 2.501 ( 0.746 5.161 4.785) 7.077 2.575 ( 0.793 -1.739 1.827) 2.644 2.662 ( -0.144 6.230 -8.727) 10.723 2.717 ( -1.451 0.351 -8.706) 8.833 2.863 ( -0.163 -1.950 2.199) 2.943 2.892 ( -1.263 -3.761 -1.441) 4.221 2.985 ( 3.382 -3.706 3.704) 6.236 3.059 ( -4.350 -7.591 -3.064) 9.270 3.166 ( -3.821 7.807 3.999) 9.568 3.207 ( -0.924 2.914 -0.656) 3.126 3.457 ( 3.415 4.843 -1.673) 6.158 3.474 ( 1.835 2.113 -2.751) 3.924 3.703 ( 0.752 2.541 0.825) 2.775 3.751 ( -1.352 -0.175 -4.081) 4.303 3.852 ( -0.530 1.544 4.834) 5.102 3.897 ( 0.624 -1.471 0.428) 1.654 4.060 ( 0.141 2.222 1.244) 2.551 4.096 ( 1.934 -0.983 -1.733) 2.777 4.116 ( -0.859 1.213 4.869) 5.091 4.177 ( 0.979 -2.688 -1.469) 3.216 4.372 ( -2.030 2.950 6.409) 7.341 4.413 ( -0.913 2.318 2.602) 3.602 4.459 ( -4.984 0.300 6.924) 8.536 4.498 ( 2.634 2.773 3.190) 4.981 4.604 ( 2.423 -0.738 -1.793) 3.103 4.624 ( 2.612 -5.864 -2.667) 6.951 4.754 ( 0.217 -0.536 -3.000) 3.055 4.771 ( -1.305 -1.632 -4.477) 4.941 5.258 ( 1.230 0.820 3.613) 3.903 5.294 ( -0.303 -2.553 0.794) 2.691 5.350 ( -2.246 -0.054 -0.749) 2.368 5.361 ( 0.442 -1.279 -0.167) 1.363 5.456 ( 2.260 -0.982 -0.309) 2.484 5.488 ( -0.960 -3.865 -3.123) 5.061 5.747 ( 0.843 0.972 -0.605) 1.422 5.797 ( -1.158 -3.188 -4.682) 5.782 5.916 ( 0.798 -0.008 3.217) 3.315 5.955 ( 2.210 -2.872 5.844) 6.877 6.050 ( -2.255 2.420 -9.392) 9.957 6.118 ( -4.132 -3.839 -11.106) 12.457 6.654 ( 2.432 2.124 2.845) 4.304 6.687 ( -0.415 -1.086 -1.292) 1.738 6.789 ( -1.211 4.054 9.601) 10.492 6.881 ( -1.439 -3.664 9.117) 9.930 6.951 ( 1.884 2.764 -5.040) 6.049 6.992 ( 2.525 -0.235 -1.874) 3.153 7.144 ( 0.131 2.135 3.703) 4.277 7.180 ( -0.455 -1.321 -0.331) 1.436 7.364 ( -0.485 1.012 -0.137) 1.130 7.382 ( 1.018 -0.416 -2.058) 2.333 7.465 ( 3.453 -0.331 0.554) 3.513 7.506 ( -2.050 -3.147 -2.850) 4.714 7.774 ( -0.644 1.073 2.376) 2.686 7.802 ( -0.192 -1.543 0.329) 1.590 7.841 ( -2.133 2.981 2.189) 4.269 7.893 ( -0.331 -2.337 -0.554) 2.425 7.931 ( 1.127 1.605 -1.393) 2.406 7.960 ( 1.727 -1.340 -2.599) 3.396 8.184 ( -1.390 0.719 -1.259) 2.009 8.186 ( -0.311 0.783 -1.656) 1.858 8.315 ( 1.559 1.143 2.287) 2.995 8.340 ( 1.582 -0.806 1.629) 2.410 8.356 ( -1.921 1.361 -1.557) 2.822 8.380 ( -1.612 -1.263 -2.692) 3.383 8.590 ( -0.348 0.526 1.796) 1.904 8.606 ( -1.156 -0.806 0.244) 1.430 8.665 ( 0.079 0.209 -0.204) 0.303 8.677 ( 1.473 -0.794 -1.283) 2.109 9.215 ( 0.022 2.020 0.823) 2.181 9.231 ( 0.630 0.765 -0.782) 1.262 9.310 ( -0.158 -0.965 1.095) 1.468 9.322 ( 0.018 -1.816 -0.039) 1.816 13.533 ( 1.047 12.415 2.617) 12.731 13.590 ( -0.856 12.431 -3.148) 12.852 13.810 ( 0.544 -11.380 3.263) 11.851 13.875 ( -0.742 -12.129 -3.392) 12.616 17.042 ( 3.287 0.300 6.324) 7.134 17.049 ( 2.716 -0.482 6.000) 6.603 17.155 ( -4.459 0.404 1.301) 4.662 17.171 ( -4.543 -0.517 -1.404) 4.783 17.197 ( -2.487 -0.045 -0.572) 2.552 17.213 ( -3.251 -1.931 2.993) 4.822 17.355 ( 3.395 -0.289 -8.272) 8.946 17.377 ( 3.538 -2.121 -8.119) 9.107 17.830 ( -1.199 0.669 6.856) 6.993 17.848 ( -1.666 -0.991 6.583) 6.863 17.970 ( 2.831 0.302 -6.329) 6.940 17.979 ( 3.038 -0.643 -5.735) 6.522 18.024 ( 2.243 1.814 2.127) 3.584 18.044 ( -0.099 0.022 0.364) 0.378 18.219 ( -0.289 0.609 -0.767) 1.021 18.225 ( -1.872 0.081 -1.080) 2.163 18.796 ( -0.430 -0.892 1.167) 1.531 18.800 ( -0.393 -1.136 0.868) 1.483 18.971 ( -0.538 -0.064 -0.651) 0.847 18.974 ( 1.038 -0.388 -0.880) 1.415 19.580 ( 0.231 0.233 8.887) 8.893 19.614 ( -1.391 -2.898 9.253) 9.795 19.758 ( -0.693 1.405 -8.983) 9.118 19.793 ( 0.890 -1.943 -8.803) 9.059 ======================= Grid point 145 (79/80) ======================= q-point: (-0.33 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( 6.841 2.866 3.768) 8.320 1.608 ( 8.771 10.398 -3.700) 14.097 1.736 ( 1.131 -2.626 5.016) 5.774 1.927 ( 6.855 -8.352 -1.948) 10.979 2.162 ( -4.671 4.899 -3.753) 7.740 2.264 ( -2.553 1.103 -1.173) 3.018 2.302 ( -5.951 6.094 -1.969) 8.742 2.452 ( 5.567 0.031 2.630) 6.157 2.536 ( -5.683 -6.378 -2.863) 9.009 2.593 ( 6.553 -4.633 -0.908) 8.077 2.629 ( 1.266 3.759 3.147) 5.063 2.732 ( 6.419 -2.908 -1.328) 7.171 2.905 ( 0.722 -0.191 2.054) 2.186 2.967 ( 5.198 -2.651 0.274) 5.841 2.985 ( 1.428 6.257 0.417) 6.431 3.122 ( 1.928 -2.408 4.527) 5.478 3.154 ( -0.124 7.342 4.141) 8.430 3.225 ( 3.145 0.664 1.272) 3.457 3.425 ( -0.502 2.909 -4.731) 5.577 3.466 ( -1.313 0.390 -3.933) 4.165 3.672 ( -2.331 3.387 0.677) 4.167 3.722 ( -2.148 -2.232 2.440) 3.943 3.813 ( -1.608 6.205 -0.119) 6.411 3.958 ( -0.963 -2.206 -0.455) 2.450 4.007 ( -2.575 1.554 -0.276) 3.020 4.073 ( -1.872 -5.685 -1.955) 6.297 4.135 ( -0.733 1.583 -1.437) 2.260 4.183 ( 1.299 -0.203 -0.915) 1.602 4.371 ( -6.703 3.559 2.703) 8.056 4.390 ( -2.374 1.200 3.419) 4.332 4.405 ( -2.581 3.155 1.930) 4.510 4.494 ( -1.883 -1.837 -2.411) 3.569 4.622 ( 1.354 -0.817 -2.129) 2.652 4.662 ( 0.693 -2.818 -2.835) 4.057 4.715 ( 1.279 0.075 0.927) 1.582 4.776 ( 1.608 -3.413 0.204) 3.778 5.244 ( -3.823 -0.033 -2.193) 4.408 5.257 ( -3.876 -1.497 0.349) 4.170 5.329 ( 0.678 1.631 2.558) 3.109 5.373 ( 0.443 -3.396 -0.045) 3.425 5.408 ( -3.368 1.217 -2.871) 4.590 5.495 ( 1.584 -6.438 0.512) 6.650 5.755 ( 0.782 0.901 -0.892) 1.490 5.802 ( 2.527 -3.543 3.389) 5.516 5.939 ( -3.497 1.620 -2.358) 4.518 5.951 ( -0.005 -0.850 -4.803) 4.878 6.042 ( 3.534 -0.823 4.517) 5.794 6.086 ( 2.543 -3.587 9.595) 10.554 6.672 ( 1.402 1.739 -2.909) 3.668 6.712 ( 1.614 -2.019 -0.756) 2.693 6.835 ( -1.135 4.485 1.930) 5.013 6.912 ( -0.525 -2.325 1.497) 2.815 6.939 ( 2.526 4.090 -3.750) 6.097 7.020 ( 2.664 -2.750 -4.437) 5.861 7.165 ( -1.299 2.631 1.791) 3.438 7.183 ( 1.752 2.242 -1.808) 3.371 7.298 ( -3.586 0.195 0.396) 3.613 7.373 ( -1.581 -5.399 -2.834) 6.299 7.473 ( 2.244 3.719 -1.546) 4.611 7.549 ( 2.842 -3.137 0.302) 4.243 7.762 ( -3.217 1.448 3.025) 4.647 7.787 ( -0.860 0.302 -1.486) 1.743 7.815 ( -2.434 -0.991 3.704) 4.542 7.856 ( -2.440 -2.761 0.088) 3.686 7.930 ( 0.244 2.132 -1.711) 2.745 7.965 ( 1.300 -0.852 -2.006) 2.537 8.146 ( -2.577 1.736 1.993) 3.691 8.175 ( -0.988 -0.152 1.932) 2.176 8.309 ( -0.959 1.282 -1.748) 2.371 8.341 ( -0.011 -2.114 -1.257) 2.459 8.377 ( 1.761 1.878 1.475) 2.967 8.410 ( 2.973 -1.100 1.581) 3.542 8.555 ( -2.606 1.052 0.296) 2.826 8.584 ( -1.837 -1.674 1.300) 2.805 8.694 ( 2.108 0.531 -0.098) 2.176 8.704 ( 2.348 -0.382 -1.395) 2.758 9.214 ( -0.427 1.574 -0.012) 1.631 9.227 ( 0.021 0.590 -1.269) 1.400 9.305 ( -0.569 -0.006 0.242) 0.618 9.331 ( 0.516 -2.080 -0.084) 2.145 13.542 ( -0.590 12.735 -2.635) 13.018 13.579 ( 0.781 11.565 2.284) 11.814 13.814 ( -1.356 -10.768 -1.284) 10.929 13.859 ( 0.219 -12.491 1.696) 12.607 17.072 ( 0.829 2.411 -3.372) 4.227 17.091 ( 1.674 1.020 -5.592) 5.926 17.178 ( -1.894 -1.342 5.969) 6.405 17.184 ( -0.966 -1.224 6.714) 6.893 17.250 ( 6.136 -0.252 7.578) 9.754 17.272 ( 6.761 -1.330 7.170) 9.944 17.353 ( 4.742 -0.796 -6.608) 8.172 17.365 ( 3.748 -2.238 -8.075) 9.179 17.840 ( -4.107 0.519 5.901) 7.209 17.853 ( -3.860 -0.682 5.078) 6.415 17.907 ( -1.983 1.322 -8.201) 8.540 17.927 ( -1.606 -0.498 -8.753) 8.913 18.026 ( 1.072 1.345 -2.156) 2.758 18.059 ( 0.858 -1.435 -1.317) 2.128 18.212 ( 0.379 1.985 1.817) 2.718 18.243 ( 0.953 -0.820 1.353) 1.847 18.797 ( 0.474 0.869 0.710) 1.218 18.835 ( 2.033 -2.587 0.929) 3.419 18.948 ( -1.125 1.245 -0.351) 1.715 18.982 ( 0.451 -1.994 -0.798) 2.194 19.640 ( -1.706 1.899 -3.271) 4.149 19.667 ( -2.644 -1.581 6.964) 7.615 19.671 ( -1.399 -0.482 5.288) 5.491 19.714 ( 0.454 -3.402 -6.877) 7.686 ======================= Grid point 146 (80/80) ======================= q-point: (-0.17 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.740 ( 4.901 10.640 5.061) 12.761 1.801 ( 10.043 8.131 -2.257) 13.118 1.878 ( 9.714 4.189 5.049) 11.722 2.026 ( 2.859 4.499 3.664) 6.468 2.074 ( -8.787 14.262 -2.801) 16.984 2.151 ( 3.964 -7.301 2.192) 8.592 2.297 ( -0.678 -10.040 1.067) 10.119 2.407 ( 1.277 -15.366 -6.621) 16.780 2.564 ( -0.801 1.133 -1.399) 1.970 2.632 ( -0.401 -0.309 -0.774) 0.925 2.694 ( -2.469 0.011 -5.734) 6.243 2.758 ( 4.693 -5.101 0.868) 6.985 2.926 ( 0.025 3.896 -2.881) 4.846 3.007 ( 3.105 -3.061 -4.116) 5.996 3.062 ( 0.001 8.493 7.650) 11.431 3.162 ( -0.140 3.167 3.959) 5.072 3.214 ( 2.954 4.081 1.180) 5.175 3.305 ( 0.430 -2.453 -0.670) 2.579 3.397 ( 2.121 3.096 0.595) 3.800 3.428 ( 0.881 2.788 -2.300) 3.720 3.635 ( -2.976 7.706 2.396) 8.601 3.749 ( -0.269 1.707 4.294) 4.629 3.811 ( 0.517 3.938 1.324) 4.187 3.849 ( -4.846 -3.468 -2.120) 6.325 3.921 ( -4.661 -5.887 2.073) 7.790 4.039 ( -0.611 -7.898 -2.471) 8.298 4.114 ( 1.142 1.815 -3.280) 3.919 4.182 ( 0.387 -1.896 -3.053) 3.615 4.271 ( -4.534 4.063 -0.497) 6.109 4.324 ( -5.051 -0.651 -1.927) 5.445 4.373 ( -1.193 4.228 1.879) 4.778 4.466 ( 0.694 -3.346 -2.148) 4.037 4.617 ( -2.075 2.038 2.636) 3.925 4.650 ( 1.788 2.133 -3.113) 4.176 4.753 ( 0.864 -3.709 1.275) 4.016 4.797 ( 0.435 -4.626 -0.376) 4.661 5.154 ( -2.340 1.143 -1.640) 3.078 5.202 ( -1.476 -3.107 0.475) 3.472 5.302 ( -3.540 2.401 -3.194) 5.338 5.332 ( -0.737 -1.606 -3.064) 3.537 5.405 ( 1.713 0.312 2.554) 3.091 5.513 ( 0.005 -8.260 -0.523) 8.276 5.812 ( -0.357 -0.263 1.480) 1.545 5.825 ( -0.693 -0.976 1.000) 1.559 5.954 ( 5.130 0.617 4.020) 6.547 5.996 ( 5.242 -2.520 7.784) 9.716 6.167 ( 0.992 1.612 9.772) 9.954 6.232 ( 1.675 -3.777 10.958) 11.711 6.645 ( -1.848 0.980 -4.763) 5.202 6.675 ( -2.435 -1.813 -5.188) 6.011 6.778 ( 0.546 5.966 -10.218) 11.845 6.895 ( 2.257 -4.530 -9.326) 10.611 6.968 ( 0.050 2.930 2.365) 3.766 7.011 ( 0.574 -0.567 -1.037) 1.314 7.130 ( -2.020 3.857 -0.356) 4.369 7.184 ( 0.366 1.686 -3.999) 4.355 7.249 ( -0.831 0.109 0.193) 0.860 7.336 ( -0.594 -5.212 -1.258) 5.395 7.504 ( 1.220 2.261 -0.198) 2.577 7.547 ( -1.246 -1.389 -1.870) 2.642 7.729 ( -3.331 2.144 4.022) 5.646 7.782 ( -2.316 -2.701 2.792) 4.523 7.823 ( 2.733 0.764 0.782) 2.944 7.853 ( 1.628 -1.538 -0.180) 2.247 7.930 ( 1.463 1.473 0.854) 2.244 7.980 ( 2.296 -2.247 -0.424) 3.240 8.111 ( -4.144 3.499 2.732) 6.073 8.183 ( -2.106 -2.044 3.956) 4.926 8.275 ( -0.833 2.188 -1.485) 2.772 8.339 ( 0.671 -3.166 -0.504) 3.275 8.391 ( -0.256 2.295 -1.312) 2.656 8.444 ( -0.697 -2.523 -0.589) 2.683 8.541 ( 0.530 2.480 1.499) 2.946 8.574 ( -0.378 -0.782 0.930) 1.273 8.726 ( 0.951 0.146 0.574) 1.121 8.736 ( 2.032 -0.648 -0.893) 2.312 9.203 ( -0.319 1.902 -0.670) 2.042 9.208 ( -0.399 1.160 -1.377) 1.844 9.300 ( -0.138 -0.080 0.089) 0.183 9.331 ( -0.101 -2.618 -0.690) 2.709 13.528 ( 1.148 12.356 -0.985) 12.448 13.597 ( -0.748 10.543 0.802) 10.600 13.794 ( 0.451 -10.241 -0.410) 10.259 13.861 ( -1.638 -11.836 1.166) 12.006 17.098 ( 3.978 2.919 -1.610) 5.190 17.118 ( 4.678 1.417 -2.753) 5.610 17.177 ( -3.152 1.209 5.464) 6.423 17.226 ( -0.684 -1.435 7.319) 7.490 17.321 ( 1.374 -1.278 -5.702) 6.003 17.360 ( 3.516 -3.528 -4.830) 6.938 17.489 ( 5.120 0.886 4.614) 6.948 17.516 ( 7.395 -1.793 4.409) 8.794 17.735 ( -3.147 3.713 -6.625) 8.221 17.781 ( 0.176 0.144 -8.989) 8.992 17.814 ( -5.558 -0.685 5.256) 7.680 17.839 ( -3.617 -2.347 2.139) 4.813 18.045 ( 2.853 0.566 -1.781) 3.411 18.073 ( 2.257 -1.959 -1.158) 3.205 18.225 ( -1.136 1.440 0.570) 1.921 18.242 ( -1.668 -0.238 -0.662) 1.811 18.826 ( 1.687 2.139 0.503) 2.770 18.880 ( 1.167 -1.936 0.531) 2.322 18.924 ( -0.651 0.479 -0.289) 0.859 18.973 ( -0.485 -3.282 -1.003) 3.466 19.589 ( 1.790 2.862 -3.955) 5.199 19.645 ( -2.864 -2.138 1.722) 3.967 19.674 ( -2.371 -0.976 3.371) 4.235 19.705 ( -1.717 -3.585 2.710) 4.810 =================== 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 3/29160 10.0 759.649 577.951 700.613 0.000 -80.746 0.000 3/29160 20.0 127.586 112.503 120.485 0.000 -13.398 0.000 3/29160 30.0 45.506 42.725 43.553 0.000 -4.293 0.000 3/29160 40.0 23.916 23.152 22.981 0.000 -2.086 0.000 3/29160 50.0 15.376 15.161 14.837 0.000 -1.264 0.000 3/29160 60.0 11.090 11.070 10.758 0.000 -0.868 0.000 3/29160 70.0 8.596 8.658 8.388 0.000 -0.643 0.000 3/29160 80.0 6.994 7.094 6.864 0.000 -0.502 0.000 3/29160 90.0 5.890 6.007 5.811 0.000 -0.407 0.000 3/29160 100.0 5.087 5.214 5.044 0.000 -0.340 0.000 3/29160 110.0 4.479 4.611 4.460 0.000 -0.291 0.000 3/29160 120.0 4.003 4.137 4.002 0.000 -0.253 0.000 3/29160 130.0 3.621 3.756 3.633 0.000 -0.224 0.000 3/29160 140.0 3.308 3.443 3.329 0.000 -0.201 0.000 3/29160 150.0 3.047 3.180 3.074 0.000 -0.182 0.000 3/29160 160.0 2.825 2.957 2.857 0.000 -0.166 0.000 3/29160 170.0 2.635 2.764 2.670 0.000 -0.153 0.000 3/29160 180.0 2.469 2.597 2.508 0.000 -0.142 0.000 3/29160 190.0 2.324 2.450 2.365 0.000 -0.133 0.000 3/29160 200.0 2.196 2.319 2.238 0.000 -0.124 0.000 3/29160 210.0 2.082 2.202 2.124 0.000 -0.117 0.000 3/29160 220.0 1.979 2.097 2.022 0.000 -0.111 0.000 3/29160 230.0 1.887 2.002 1.930 0.000 -0.105 0.000 3/29160 240.0 1.803 1.915 1.846 0.000 -0.100 0.000 3/29160 250.0 1.726 1.836 1.769 0.000 -0.095 0.000 3/29160 260.0 1.656 1.763 1.699 0.000 -0.091 0.000 3/29160 270.0 1.592 1.696 1.634 0.000 -0.087 0.000 3/29160 280.0 1.532 1.634 1.574 0.000 -0.084 0.000 3/29160 290.0 1.477 1.577 1.519 0.000 -0.081 0.000 3/29160 300.0 1.426 1.523 1.467 0.000 -0.078 0.000 3/29160 310.0 1.378 1.473 1.419 0.000 -0.075 0.000 3/29160 320.0 1.334 1.427 1.374 0.000 -0.072 0.000 3/29160 330.0 1.292 1.383 1.331 0.000 -0.070 0.000 3/29160 340.0 1.253 1.342 1.292 0.000 -0.068 0.000 3/29160 350.0 1.216 1.303 1.254 0.000 -0.066 0.000 3/29160 360.0 1.182 1.267 1.219 0.000 -0.064 0.000 3/29160 370.0 1.149 1.232 1.186 0.000 -0.062 0.000 3/29160 380.0 1.118 1.200 1.154 0.000 -0.060 0.000 3/29160 390.0 1.089 1.169 1.125 0.000 -0.059 0.000 3/29160 400.0 1.061 1.139 1.096 0.000 -0.057 0.000 3/29160 410.0 1.035 1.111 1.069 0.000 -0.056 0.000 3/29160 420.0 1.010 1.085 1.044 0.000 -0.054 0.000 3/29160 430.0 0.986 1.059 1.019 0.000 -0.053 0.000 3/29160 440.0 0.964 1.035 0.996 0.000 -0.052 0.000 3/29160 450.0 0.942 1.012 0.974 0.000 -0.051 0.000 3/29160 460.0 0.921 0.990 0.953 0.000 -0.050 0.000 3/29160 470.0 0.901 0.969 0.932 0.000 -0.048 0.000 3/29160 480.0 0.882 0.949 0.913 0.000 -0.047 0.000 3/29160 490.0 0.864 0.929 0.894 0.000 -0.046 0.000 3/29160 500.0 0.847 0.911 0.876 0.000 -0.045 0.000 3/29160 510.0 0.830 0.893 0.859 0.000 -0.045 0.000 3/29160 520.0 0.814 0.876 0.843 0.000 -0.044 0.000 3/29160 530.0 0.798 0.859 0.827 0.000 -0.043 0.000 3/29160 540.0 0.783 0.843 0.811 0.000 -0.042 0.000 3/29160 550.0 0.769 0.828 0.796 0.000 -0.041 0.000 3/29160 560.0 0.755 0.813 0.782 0.000 -0.040 0.000 3/29160 570.0 0.742 0.799 0.769 0.000 -0.040 0.000 3/29160 580.0 0.729 0.785 0.755 0.000 -0.039 0.000 3/29160 590.0 0.717 0.772 0.742 0.000 -0.038 0.000 3/29160 600.0 0.705 0.759 0.730 0.000 -0.038 0.000 3/29160 610.0 0.693 0.746 0.718 0.000 -0.037 0.000 3/29160 620.0 0.682 0.734 0.707 0.000 -0.037 0.000 3/29160 630.0 0.671 0.723 0.695 0.000 -0.036 0.000 3/29160 640.0 0.660 0.711 0.684 0.000 -0.035 0.000 3/29160 650.0 0.650 0.700 0.674 0.000 -0.035 0.000 3/29160 660.0 0.640 0.690 0.664 0.000 -0.034 0.000 3/29160 670.0 0.631 0.679 0.654 0.000 -0.034 0.000 3/29160 680.0 0.621 0.669 0.644 0.000 -0.033 0.000 3/29160 690.0 0.612 0.660 0.635 0.000 -0.033 0.000 3/29160 700.0 0.603 0.650 0.626 0.000 -0.032 0.000 3/29160 710.0 0.595 0.641 0.617 0.000 -0.032 0.000 3/29160 720.0 0.587 0.632 0.608 0.000 -0.031 0.000 3/29160 730.0 0.579 0.624 0.600 0.000 -0.031 0.000 3/29160 740.0 0.571 0.615 0.592 0.000 -0.031 0.000 3/29160 750.0 0.563 0.607 0.584 0.000 -0.030 0.000 3/29160 760.0 0.556 0.599 0.576 0.000 -0.030 0.000 3/29160 770.0 0.548 0.591 0.569 0.000 -0.029 0.000 3/29160 780.0 0.541 0.584 0.562 0.000 -0.029 0.000 3/29160 790.0 0.534 0.576 0.554 0.000 -0.029 0.000 3/29160 800.0 0.528 0.569 0.548 0.000 -0.028 0.000 3/29160 810.0 0.521 0.562 0.541 0.000 -0.028 0.000 3/29160 820.0 0.515 0.555 0.534 0.000 -0.028 0.000 3/29160 830.0 0.509 0.548 0.528 0.000 -0.027 0.000 3/29160 840.0 0.503 0.542 0.521 0.000 -0.027 0.000 3/29160 850.0 0.497 0.536 0.515 0.000 -0.027 0.000 3/29160 860.0 0.491 0.529 0.509 0.000 -0.026 0.000 3/29160 870.0 0.485 0.523 0.503 0.000 -0.026 0.000 3/29160 880.0 0.480 0.517 0.498 0.000 -0.026 0.000 3/29160 890.0 0.474 0.512 0.492 0.000 -0.025 0.000 3/29160 900.0 0.469 0.506 0.487 0.000 -0.025 0.000 3/29160 910.0 0.464 0.500 0.481 0.000 -0.025 0.000 3/29160 920.0 0.459 0.495 0.476 0.000 -0.025 0.000 3/29160 930.0 0.454 0.490 0.471 0.000 -0.024 0.000 3/29160 940.0 0.449 0.484 0.466 0.000 -0.024 0.000 3/29160 950.0 0.444 0.479 0.461 0.000 -0.024 0.000 3/29160 960.0 0.440 0.474 0.456 0.000 -0.024 0.000 3/29160 970.0 0.435 0.469 0.452 0.000 -0.023 0.000 3/29160 980.0 0.431 0.465 0.447 0.000 -0.023 0.000 3/29160 990.0 0.426 0.460 0.442 0.000 -0.023 0.000 3/29160 1000.0 0.422 0.455 0.438 0.000 -0.023 0.000 3/29160 Thermal conductivity related properties were written into "kappa-m695.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:41:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|