----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 20:09:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] 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 7.867045290056515 0.000000000000000 0.000000000000000 b 0.000000000000000 19.351816459999998 0.000000000000000 c -2.933052207161439 0.000000000000000 7.135515702329982 Atomic positions (fractional): *1 Ba 0.73739682894975 0.93991145631367 0.99155337497681 137.327 2 Ba 0.73739682894975 0.56008854368633 0.49155337497681 137.327 *3 Ba 0.20932464981702 0.68225187568549 0.50688300953818 137.327 *4 Ba 0.73987302408490 0.43381741699922 0.98746250708948 137.327 5 Ba 0.26260317105025 0.43991145631367 0.50844662502319 137.327 6 Ba 0.26012697591510 0.93381741699922 0.51253749291052 137.327 7 Ba 0.26260317105025 0.06008854368633 0.00844662502319 137.327 8 Ba 0.73987302408490 0.06618258300078 0.48746250708948 137.327 9 Ba 0.79067535018298 0.18225187568549 0.99311699046182 137.327 10 Ba 0.26012697591510 0.56618258300078 0.01253749291052 137.327 11 Ba 0.79067535018298 0.31774812431451 0.49311699046182 137.327 12 Ba 0.20932464981702 0.81774812431451 0.00688300953818 137.327 *13 Sn 0.31580395991254 0.24247649779595 0.39174592521338 118.710 *14 Sn 0.79121345013831 0.87863637840188 0.47765251978118 118.710 15 Sn 0.79121345013831 0.62136362159812 0.97765251978118 118.710 16 Sn 0.68419604008746 0.74247649779595 0.10825407478662 118.710 17 Sn 0.20878654986169 0.37863637840188 0.02234748021882 118.710 18 Sn 0.20878654986169 0.12136362159812 0.52234748021882 118.710 19 Sn 0.68419604008746 0.75752350220405 0.60825407478662 118.710 20 Sn 0.31580395991254 0.25752350220405 0.89174592521338 118.710 *21 P 0.96083277278398 0.68199763339329 0.78747168802961 30.974 *22 P 0.49416407183646 0.06426208869737 0.74426685209343 30.974 23 P 0.03916722721602 0.18199763339329 0.71252831197039 30.974 *24 P 0.99974867121366 0.55224383812704 0.24807733464774 30.974 *25 P 0.48895733549149 0.79776761540175 0.79157862347667 30.974 26 P 0.50583592816354 0.93573791130262 0.25573314790657 30.974 27 P 0.51104266450851 0.20223238459825 0.20842137652333 30.974 28 P 0.51104266450851 0.29776761540175 0.70842137652333 30.974 29 P 0.00025132878634 0.05224383812704 0.25192266535226 30.974 30 P 0.49416407183646 0.43573791130263 0.24426685209343 30.974 31 P 0.50583592816354 0.56426208869738 0.75573314790657 30.974 32 P 0.96083277278398 0.81800236660671 0.28747168802961 30.974 33 P 0.99974867121366 0.94775616187296 0.74807733464774 30.974 34 P 0.03916722721602 0.31800236660671 0.21252831197039 30.974 35 P 0.00025132878634 0.44775616187296 0.75192266535226 30.974 36 P 0.48895733549149 0.70223238459825 0.29157862347667 30.974 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.867045290056515 0.000000000000000 0.000000000000000 b 0.000000000000000 19.351816459999998 0.000000000000000 c -2.933052207161439 0.000000000000000 7.135515702329982 Atomic positions (fractional): *1 Ba 0.73739682894975 0.93991145631367 0.99155337497681 137.327 > 1 2 Ba 0.73739682894975 0.56008854368633 0.49155337497681 137.327 > 2 *3 Ba 0.20932464981702 0.68225187568549 0.50688300953818 137.327 > 3 *4 Ba 0.73987302408490 0.43381741699922 0.98746250708948 137.327 > 4 5 Ba 0.26260317105025 0.43991145631367 0.50844662502319 137.327 > 5 6 Ba 0.26012697591510 0.93381741699922 0.51253749291052 137.327 > 6 7 Ba 0.26260317105025 0.06008854368633 0.00844662502319 137.327 > 7 8 Ba 0.73987302408490 0.06618258300078 0.48746250708948 137.327 > 8 9 Ba 0.79067535018298 0.18225187568549 0.99311699046182 137.327 > 9 10 Ba 0.26012697591510 0.56618258300078 0.01253749291052 137.327 > 10 11 Ba 0.79067535018298 0.31774812431451 0.49311699046182 137.327 > 11 12 Ba 0.20932464981702 0.81774812431451 0.00688300953818 137.327 > 12 *13 Sn 0.31580395991254 0.24247649779595 0.39174592521338 118.710 > 13 *14 Sn 0.79121345013831 0.87863637840188 0.47765251978118 118.710 > 14 15 Sn 0.79121345013831 0.62136362159812 0.97765251978118 118.710 > 15 16 Sn 0.68419604008746 0.74247649779595 0.10825407478662 118.710 > 16 17 Sn 0.20878654986169 0.37863637840188 0.02234748021882 118.710 > 17 18 Sn 0.20878654986169 0.12136362159812 0.52234748021882 118.710 > 18 19 Sn 0.68419604008746 0.75752350220405 0.60825407478662 118.710 > 19 20 Sn 0.31580395991254 0.25752350220405 0.89174592521338 118.710 > 20 *21 P 0.96083277278398 0.68199763339329 0.78747168802961 30.974 > 21 *22 P 0.49416407183646 0.06426208869737 0.74426685209343 30.974 > 22 23 P 0.03916722721602 0.18199763339329 0.71252831197039 30.974 > 23 *24 P 0.99974867121366 0.55224383812704 0.24807733464774 30.974 > 24 *25 P 0.48895733549149 0.79776761540175 0.79157862347667 30.974 > 25 26 P 0.50583592816354 0.93573791130262 0.25573314790657 30.974 > 26 27 P 0.51104266450851 0.20223238459825 0.20842137652333 30.974 > 27 28 P 0.51104266450851 0.29776761540175 0.70842137652333 30.974 > 28 29 P 0.00025132878634 0.05224383812704 0.25192266535226 30.974 > 29 30 P 0.49416407183646 0.43573791130263 0.24426685209343 30.974 > 30 31 P 0.50583592816354 0.56426208869738 0.75573314790657 30.974 > 31 32 P 0.96083277278398 0.81800236660671 0.28747168802961 30.974 > 32 33 P 0.99974867121366 0.94775616187296 0.74807733464774 30.974 > 33 34 P 0.03916722721602 0.31800236660671 0.21252831197039 30.974 > 34 35 P 0.00025132878634 0.44775616187296 0.75192266535226 30.974 > 35 36 P 0.48895733549149 0.70223238459825 0.29157862347667 30.974 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.734090580113030 0.000000000000000 0.000000000000000 b 0.000000000000000 19.351816459999998 0.000000000000000 c -5.866104414322878 0.000000000000000 14.271031404659963 Atomic positions (fractional): *1 Ba 0.36869841447487 0.93991145631367 0.49577668748840 137.327 > 1 2 Ba 0.86869841447487 0.93991145631367 0.49577668748840 137.327 > 1 3 Ba 0.36869841447487 0.93991145631367 0.99577668748840 137.327 > 1 4 Ba 0.86869841447487 0.93991145631367 0.99577668748840 137.327 > 1 5 Ba 0.36869841447487 0.56008854368633 0.24577668748840 137.327 > 2 6 Ba 0.86869841447487 0.56008854368633 0.24577668748840 137.327 > 2 7 Ba 0.36869841447487 0.56008854368633 0.74577668748840 137.327 > 2 8 Ba 0.86869841447487 0.56008854368633 0.74577668748840 137.327 > 2 *9 Ba 0.10466232490851 0.68225187568549 0.25344150476909 137.327 > 3 10 Ba 0.60466232490851 0.68225187568549 0.25344150476909 137.327 > 3 11 Ba 0.10466232490851 0.68225187568549 0.75344150476909 137.327 > 3 12 Ba 0.60466232490851 0.68225187568549 0.75344150476909 137.327 > 3 *13 Ba 0.36993651204245 0.43381741699922 0.49373125354474 137.327 > 4 14 Ba 0.86993651204245 0.43381741699922 0.49373125354474 137.327 > 4 15 Ba 0.36993651204245 0.43381741699922 0.99373125354474 137.327 > 4 16 Ba 0.86993651204245 0.43381741699922 0.99373125354474 137.327 > 4 17 Ba 0.13130158552513 0.43991145631367 0.25422331251160 137.327 > 5 18 Ba 0.63130158552513 0.43991145631367 0.25422331251160 137.327 > 5 19 Ba 0.13130158552513 0.43991145631367 0.75422331251160 137.327 > 5 20 Ba 0.63130158552513 0.43991145631367 0.75422331251160 137.327 > 5 21 Ba 0.13006348795755 0.93381741699922 0.25626874645526 137.327 > 6 22 Ba 0.63006348795755 0.93381741699922 0.25626874645526 137.327 > 6 23 Ba 0.13006348795755 0.93381741699922 0.75626874645526 137.327 > 6 24 Ba 0.63006348795755 0.93381741699922 0.75626874645526 137.327 > 6 25 Ba 0.13130158552513 0.06008854368633 0.00422331251160 137.327 > 7 26 Ba 0.63130158552513 0.06008854368633 0.00422331251160 137.327 > 7 27 Ba 0.13130158552513 0.06008854368633 0.50422331251160 137.327 > 7 28 Ba 0.63130158552513 0.06008854368633 0.50422331251160 137.327 > 7 29 Ba 0.36993651204245 0.06618258300078 0.24373125354474 137.327 > 8 30 Ba 0.86993651204245 0.06618258300078 0.24373125354474 137.327 > 8 31 Ba 0.36993651204245 0.06618258300078 0.74373125354474 137.327 > 8 32 Ba 0.86993651204245 0.06618258300078 0.74373125354474 137.327 > 8 33 Ba 0.39533767509149 0.18225187568549 0.49655849523091 137.327 > 9 34 Ba 0.89533767509149 0.18225187568549 0.49655849523091 137.327 > 9 35 Ba 0.39533767509149 0.18225187568549 0.99655849523091 137.327 > 9 36 Ba 0.89533767509149 0.18225187568549 0.99655849523091 137.327 > 9 37 Ba 0.13006348795755 0.56618258300078 0.00626874645526 137.327 > 10 38 Ba 0.63006348795755 0.56618258300078 0.00626874645526 137.327 > 10 39 Ba 0.13006348795755 0.56618258300078 0.50626874645526 137.327 > 10 40 Ba 0.63006348795755 0.56618258300078 0.50626874645526 137.327 > 10 41 Ba 0.39533767509149 0.31774812431451 0.24655849523091 137.327 > 11 42 Ba 0.89533767509149 0.31774812431451 0.24655849523091 137.327 > 11 43 Ba 0.39533767509149 0.31774812431451 0.74655849523091 137.327 > 11 44 Ba 0.89533767509149 0.31774812431451 0.74655849523091 137.327 > 11 45 Ba 0.10466232490851 0.81774812431451 0.00344150476909 137.327 > 12 46 Ba 0.60466232490851 0.81774812431451 0.00344150476909 137.327 > 12 47 Ba 0.10466232490851 0.81774812431451 0.50344150476909 137.327 > 12 48 Ba 0.60466232490851 0.81774812431451 0.50344150476909 137.327 > 12 *49 Sn 0.15790197995627 0.24247649779595 0.19587296260669 118.710 > 13 50 Sn 0.65790197995627 0.24247649779595 0.19587296260669 118.710 > 13 51 Sn 0.15790197995627 0.24247649779595 0.69587296260669 118.710 > 13 52 Sn 0.65790197995627 0.24247649779595 0.69587296260669 118.710 > 13 *53 Sn 0.39560672506916 0.87863637840188 0.23882625989059 118.710 > 14 54 Sn 0.89560672506916 0.87863637840188 0.23882625989059 118.710 > 14 55 Sn 0.39560672506916 0.87863637840188 0.73882625989059 118.710 > 14 56 Sn 0.89560672506916 0.87863637840188 0.73882625989059 118.710 > 14 57 Sn 0.39560672506916 0.62136362159812 0.48882625989059 118.710 > 15 58 Sn 0.89560672506916 0.62136362159812 0.48882625989059 118.710 > 15 59 Sn 0.39560672506916 0.62136362159812 0.98882625989059 118.710 > 15 60 Sn 0.89560672506916 0.62136362159812 0.98882625989059 118.710 > 15 61 Sn 0.34209802004373 0.74247649779595 0.05412703739331 118.710 > 16 62 Sn 0.84209802004373 0.74247649779595 0.05412703739331 118.710 > 16 63 Sn 0.34209802004373 0.74247649779595 0.55412703739331 118.710 > 16 64 Sn 0.84209802004373 0.74247649779595 0.55412703739331 118.710 > 16 65 Sn 0.10439327493084 0.37863637840188 0.01117374010941 118.710 > 17 66 Sn 0.60439327493084 0.37863637840188 0.01117374010941 118.710 > 17 67 Sn 0.10439327493084 0.37863637840188 0.51117374010941 118.710 > 17 68 Sn 0.60439327493084 0.37863637840188 0.51117374010941 118.710 > 17 69 Sn 0.10439327493084 0.12136362159812 0.26117374010941 118.710 > 18 70 Sn 0.60439327493084 0.12136362159812 0.26117374010941 118.710 > 18 71 Sn 0.10439327493084 0.12136362159812 0.76117374010941 118.710 > 18 72 Sn 0.60439327493084 0.12136362159812 0.76117374010941 118.710 > 18 73 Sn 0.34209802004373 0.75752350220405 0.30412703739331 118.710 > 19 74 Sn 0.84209802004373 0.75752350220405 0.30412703739331 118.710 > 19 75 Sn 0.34209802004373 0.75752350220405 0.80412703739331 118.710 > 19 76 Sn 0.84209802004373 0.75752350220405 0.80412703739331 118.710 > 19 77 Sn 0.15790197995627 0.25752350220405 0.44587296260669 118.710 > 20 78 Sn 0.65790197995627 0.25752350220405 0.44587296260669 118.710 > 20 79 Sn 0.15790197995627 0.25752350220405 0.94587296260669 118.710 > 20 80 Sn 0.65790197995627 0.25752350220405 0.94587296260669 118.710 > 20 *81 P 0.48041638639199 0.68199763339329 0.39373584401481 30.974 > 21 82 P 0.98041638639199 0.68199763339329 0.39373584401481 30.974 > 21 83 P 0.48041638639199 0.68199763339329 0.89373584401481 30.974 > 21 84 P 0.98041638639199 0.68199763339329 0.89373584401481 30.974 > 21 *85 P 0.24708203591823 0.06426208869737 0.37213342604671 30.974 > 22 86 P 0.74708203591823 0.06426208869737 0.37213342604671 30.974 > 22 87 P 0.24708203591823 0.06426208869737 0.87213342604671 30.974 > 22 88 P 0.74708203591823 0.06426208869737 0.87213342604671 30.974 > 22 89 P 0.01958361360801 0.18199763339329 0.35626415598519 30.974 > 23 90 P 0.51958361360801 0.18199763339329 0.35626415598519 30.974 > 23 91 P 0.01958361360801 0.18199763339329 0.85626415598519 30.974 > 23 92 P 0.51958361360801 0.18199763339329 0.85626415598519 30.974 > 23 *93 P 0.49987433560683 0.55224383812704 0.12403866732387 30.974 > 24 94 P 0.99987433560683 0.55224383812704 0.12403866732387 30.974 > 24 95 P 0.49987433560683 0.55224383812704 0.62403866732387 30.974 > 24 96 P 0.99987433560683 0.55224383812704 0.62403866732387 30.974 > 24 *97 P 0.24447866774574 0.79776761540175 0.39578931173833 30.974 > 25 98 P 0.74447866774574 0.79776761540175 0.39578931173833 30.974 > 25 99 P 0.24447866774574 0.79776761540175 0.89578931173833 30.974 > 25 100 P 0.74447866774574 0.79776761540175 0.89578931173833 30.974 > 25 101 P 0.25291796408177 0.93573791130262 0.12786657395329 30.974 > 26 102 P 0.75291796408177 0.93573791130262 0.12786657395329 30.974 > 26 103 P 0.25291796408177 0.93573791130262 0.62786657395329 30.974 > 26 104 P 0.75291796408177 0.93573791130262 0.62786657395329 30.974 > 26 105 P 0.25552133225426 0.20223238459825 0.10421068826167 30.974 > 27 106 P 0.75552133225426 0.20223238459825 0.10421068826167 30.974 > 27 107 P 0.25552133225426 0.20223238459825 0.60421068826167 30.974 > 27 108 P 0.75552133225426 0.20223238459825 0.60421068826167 30.974 > 27 109 P 0.25552133225426 0.29776761540175 0.35421068826167 30.974 > 28 110 P 0.75552133225426 0.29776761540175 0.35421068826167 30.974 > 28 111 P 0.25552133225426 0.29776761540175 0.85421068826167 30.974 > 28 112 P 0.75552133225426 0.29776761540175 0.85421068826167 30.974 > 28 113 P 0.00012566439317 0.05224383812704 0.12596133267613 30.974 > 29 114 P 0.50012566439317 0.05224383812704 0.12596133267613 30.974 > 29 115 P 0.00012566439317 0.05224383812704 0.62596133267613 30.974 > 29 116 P 0.50012566439317 0.05224383812704 0.62596133267613 30.974 > 29 117 P 0.24708203591823 0.43573791130263 0.12213342604671 30.974 > 30 118 P 0.74708203591823 0.43573791130263 0.12213342604671 30.974 > 30 119 P 0.24708203591823 0.43573791130263 0.62213342604671 30.974 > 30 120 P 0.74708203591823 0.43573791130263 0.62213342604671 30.974 > 30 121 P 0.25291796408177 0.56426208869738 0.37786657395329 30.974 > 31 122 P 0.75291796408177 0.56426208869738 0.37786657395329 30.974 > 31 123 P 0.25291796408177 0.56426208869738 0.87786657395329 30.974 > 31 124 P 0.75291796408177 0.56426208869738 0.87786657395329 30.974 > 31 125 P 0.48041638639199 0.81800236660671 0.14373584401481 30.974 > 32 126 P 0.98041638639199 0.81800236660671 0.14373584401481 30.974 > 32 127 P 0.48041638639199 0.81800236660671 0.64373584401481 30.974 > 32 128 P 0.98041638639199 0.81800236660671 0.64373584401481 30.974 > 32 129 P 0.49987433560683 0.94775616187296 0.37403866732387 30.974 > 33 130 P 0.99987433560683 0.94775616187296 0.37403866732387 30.974 > 33 131 P 0.49987433560683 0.94775616187296 0.87403866732387 30.974 > 33 132 P 0.99987433560683 0.94775616187296 0.87403866732387 30.974 > 33 133 P 0.01958361360801 0.31800236660671 0.10626415598519 30.974 > 34 134 P 0.51958361360801 0.31800236660671 0.10626415598519 30.974 > 34 135 P 0.01958361360801 0.31800236660671 0.60626415598519 30.974 > 34 136 P 0.51958361360801 0.31800236660671 0.60626415598519 30.974 > 34 137 P 0.00012566439317 0.44775616187296 0.37596133267613 30.974 > 35 138 P 0.50012566439317 0.44775616187296 0.37596133267613 30.974 > 35 139 P 0.00012566439317 0.44775616187296 0.87596133267613 30.974 > 35 140 P 0.50012566439317 0.44775616187296 0.87596133267613 30.974 > 35 141 P 0.24447866774574 0.70223238459825 0.14578931173833 30.974 > 36 142 P 0.74447866774574 0.70223238459825 0.14578931173833 30.974 > 36 143 P 0.24447866774574 0.70223238459825 0.64578931173833 30.974 > 36 144 P 0.74447866774574 0.70223238459825 0.64578931173833 30.974 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.7223582 0.0000000 0.3106319 0.0000000 11.7581257 0.0000000 0.3106069 0.0000000 12.8256542 -------------------------- Born effective charges -------------------------- 1 Ba 2.1882261 -0.0832111 0.1095006 0.2943398 3.2697920 -0.1847889 0.0098847 -0.0662878 3.2983060 2 Ba 2.1882261 0.0832111 0.1095006 -0.2943398 3.2697920 0.1847889 0.0098847 0.0662878 3.2983060 3 Ba 3.5783684 -0.0971819 0.1957872 0.2648399 2.2589081 -0.2231661 0.2666035 0.2367021 2.8743577 4 Ba 3.0121698 -0.0634677 0.1778948 -0.1129836 3.2351130 -0.0871982 0.3758317 0.1977222 2.2315327 5 Ba 2.1882261 0.0832111 0.1095006 -0.2943398 3.2697920 0.1847889 0.0098847 0.0662878 3.2983060 6 Ba 3.0121698 0.0634677 0.1778948 0.1129836 3.2351130 0.0871982 0.3758317 -0.1977222 2.2315327 7 Ba 2.1882261 -0.0832111 0.1095006 0.2943398 3.2697920 -0.1847889 0.0098847 -0.0662878 3.2983060 8 Ba 3.0121698 0.0634677 0.1778948 0.1129836 3.2351130 0.0871982 0.3758317 -0.1977222 2.2315327 9 Ba 3.5783684 0.0971819 0.1957872 -0.2648399 2.2589081 0.2231661 0.2666035 -0.2367021 2.8743577 10 Ba 3.0121698 -0.0634677 0.1778948 -0.1129836 3.2351130 -0.0871982 0.3758317 0.1977222 2.2315327 11 Ba 3.5783684 -0.0971819 0.1957872 0.2648399 2.2589081 -0.2231661 0.2666035 0.2367021 2.8743577 12 Ba 3.5783684 0.0971819 0.1957872 -0.2648399 2.2589081 0.2231661 0.2666035 -0.2367021 2.8743577 13 Sn 1.3337224 -0.2452083 -0.4886145 -0.3319526 1.5742947 -0.3908737 -0.2711593 -0.0389423 2.8233134 14 Sn 1.8814262 -0.0063055 0.4224678 -0.2153884 2.6553853 0.4054582 0.1196024 0.0327783 2.5222515 15 Sn 1.8814262 0.0063055 0.4224678 0.2153884 2.6553853 -0.4054582 0.1196024 -0.0327783 2.5222515 16 Sn 1.3337224 0.2452083 -0.4886145 0.3319526 1.5742947 0.3908737 -0.2711593 0.0389423 2.8233134 17 Sn 1.8814262 0.0063055 0.4224678 0.2153884 2.6553853 -0.4054582 0.1196024 -0.0327783 2.5222515 18 Sn 1.8814262 -0.0063055 0.4224678 -0.2153884 2.6553853 0.4054582 0.1196024 0.0327783 2.5222515 19 Sn 1.3337224 -0.2452083 -0.4886145 -0.3319526 1.5742947 -0.3908737 -0.2711593 -0.0389423 2.8233134 20 Sn 1.3337224 0.2452083 -0.4886145 0.3319526 1.5742947 0.3908737 -0.2711593 0.0389423 2.8233134 21 P -3.1105067 -0.0718682 0.3454362 -0.0040429 -3.1445674 0.4755267 0.1497307 0.6275329 -2.9895086 22 P -3.2583721 0.3271203 -0.5367576 0.1274092 -3.6713103 0.3001080 -0.6656089 0.4521376 -3.4324963 23 P -3.1105067 0.0718682 0.3454362 0.0040429 -3.1445674 -0.4755267 0.1497307 -0.6275329 -2.9895086 24 P -2.8927930 0.2869091 -0.5581316 0.3583995 -3.6991861 0.5030321 -0.6635804 0.4269786 -3.8398754 25 P -2.7322412 0.3272220 0.3324170 0.2903010 -2.4784294 0.2046338 0.6786957 0.1361057 -3.4878810 26 P -3.2583721 0.3271203 -0.5367576 0.1274092 -3.6713103 0.3001080 -0.6656089 0.4521376 -3.4324963 27 P -2.7322412 0.3272220 0.3324170 0.2903010 -2.4784294 0.2046338 0.6786957 0.1361057 -3.4878810 28 P -2.7322412 -0.3272220 0.3324170 -0.2903010 -2.4784294 -0.2046338 0.6786957 -0.1361057 -3.4878810 29 P -2.8927930 -0.2869091 -0.5581316 -0.3583995 -3.6991861 -0.5030321 -0.6635804 -0.4269786 -3.8398754 30 P -3.2583721 -0.3271203 -0.5367576 -0.1274092 -3.6713103 -0.3001080 -0.6656089 -0.4521376 -3.4324963 31 P -3.2583721 -0.3271203 -0.5367576 -0.1274092 -3.6713103 -0.3001080 -0.6656089 -0.4521376 -3.4324963 32 P -3.1105067 0.0718682 0.3454362 0.0040429 -3.1445674 -0.4755267 0.1497307 -0.6275329 -2.9895086 33 P -2.8927930 -0.2869091 -0.5581316 -0.3583995 -3.6991861 -0.5030321 -0.6635804 -0.4269786 -3.8398754 34 P -3.1105067 -0.0718682 0.3454362 -0.0040429 -3.1445674 0.4755267 0.1497307 0.6275329 -2.9895086 35 P -2.8927930 0.2869091 -0.5581316 0.3583995 -3.6991861 0.5030321 -0.6635804 0.4269786 -3.8398754 36 P -2.7322412 -0.3272220 0.3324170 -0.2903010 -2.4784294 -0.2046338 0.6786957 -0.1361057 -3.4878810 ---------------------------------------------------------------------------- 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) 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: 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) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1296 / 1296 (1) 280 eigenvectors found. (1) Complementary block size: 52 (1) Compute compressed projector. (1) Use standard solver. (1) 34 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) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1296 / 1296 (1) 280 eigenvectors found. (1) Complementary block size: 52 (1) Compute compressed projector. (1) Use standard solver. (1) 34 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) 243 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 7 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, 7), data: (500, 16) @ (16, 7) |-- (250, 243), 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, 1278), data: False |-- (1296, 34), data: (1296, 52) @ (52, 34) |-- (296, 280), data: True |-- (500, 482), data: False |-- (500, 15), data: (500, 33) @ (33, 15) |-- (250, 235), data: True |-- (250, 232), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 34), data: (1296, 52) @ (52, 34) |-- (296, 280), data: True |-- (500, 482), data: False |-- (500, 15), data: (500, 33) @ (33, 15) |-- (250, 235), data: True |-- (250, 232), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), 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 ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1120 - Time: 1.864 Solver_block: 200 / 1120 - Time: 1.647 Solver_block: 300 / 1120 - Time: 1.641 Solver_block: 400 / 1120 - Time: 1.650 Solver_block: 500 / 1120 - Time: 1.649 Solver_block: 600 / 1120 - Time: 1.649 Solver_block: 700 / 1120 - Time: 1.652 Solver_block: 800 / 1120 - Time: 1.652 Solver_block: 900 / 1120 - Time: 1.648 Solver_block: 1000 / 1120 - Time: 1.646 Solver_block: 1100 / 1120 - Time: 1.647 Solver_block: 1120 / 1120 - Time: 0.528 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 19.384 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) 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) 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: 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) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1296 / 1296 (1) 280 eigenvectors found. (1) Complementary block size: 52 (1) Compute compressed projector. (1) Use standard solver. (1) 34 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) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1296 / 1296 (1) 280 eigenvectors found. (1) Complementary block size: 52 (1) Compute compressed projector. (1) Use standard solver. (1) 34 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) 243 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 7 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, 7), data: (500, 16) @ (16, 7) |-- (250, 243), 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, 1278), data: False |-- (1296, 34), data: (1296, 52) @ (52, 34) |-- (296, 280), data: True |-- (500, 482), data: False |-- (500, 15), data: (500, 33) @ (33, 15) |-- (250, 235), data: True |-- (250, 232), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 34), data: (1296, 52) @ (52, 34) |-- (296, 280), data: True |-- (500, 482), data: False |-- (500, 15), data: (500, 33) @ (33, 15) |-- (250, 235), data: True |-- (250, 232), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), 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 Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 20:10:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 20:10:56]------------------------- 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 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.867045290056515 0.000000000000000 0.000000000000000 b 0.000000000000000 19.351816459999998 0.000000000000000 c -2.933052207161439 0.000000000000000 7.135515702329982 Atomic positions (fractional): 1 Ba 0.73739682894975 0.93991145631367 0.99155337497681 137.327 2 Ba 0.73739682894975 0.56008854368633 0.49155337497681 137.327 3 Ba 0.20932464981702 0.68225187568549 0.50688300953818 137.327 4 Ba 0.73987302408490 0.43381741699922 0.98746250708948 137.327 5 Ba 0.26260317105025 0.43991145631367 0.50844662502319 137.327 6 Ba 0.26012697591510 0.93381741699922 0.51253749291052 137.327 7 Ba 0.26260317105025 0.06008854368633 0.00844662502319 137.327 8 Ba 0.73987302408490 0.06618258300078 0.48746250708948 137.327 9 Ba 0.79067535018298 0.18225187568549 0.99311699046182 137.327 10 Ba 0.26012697591510 0.56618258300078 0.01253749291052 137.327 11 Ba 0.79067535018298 0.31774812431451 0.49311699046182 137.327 12 Ba 0.20932464981702 0.81774812431451 0.00688300953818 137.327 13 Sn 0.31580395991254 0.24247649779595 0.39174592521338 118.710 14 Sn 0.79121345013831 0.87863637840188 0.47765251978118 118.710 15 Sn 0.79121345013831 0.62136362159812 0.97765251978118 118.710 16 Sn 0.68419604008746 0.74247649779595 0.10825407478662 118.710 17 Sn 0.20878654986169 0.37863637840188 0.02234748021882 118.710 18 Sn 0.20878654986169 0.12136362159812 0.52234748021882 118.710 19 Sn 0.68419604008746 0.75752350220405 0.60825407478662 118.710 20 Sn 0.31580395991254 0.25752350220405 0.89174592521338 118.710 21 P 0.96083277278398 0.68199763339329 0.78747168802961 30.974 22 P 0.49416407183646 0.06426208869737 0.74426685209343 30.974 23 P 0.03916722721602 0.18199763339329 0.71252831197039 30.974 24 P 0.99974867121366 0.55224383812704 0.24807733464774 30.974 25 P 0.48895733549149 0.79776761540175 0.79157862347667 30.974 26 P 0.50583592816354 0.93573791130262 0.25573314790657 30.974 27 P 0.51104266450851 0.20223238459825 0.20842137652333 30.974 28 P 0.51104266450851 0.29776761540175 0.70842137652333 30.974 29 P 0.00025132878634 0.05224383812704 0.25192266535226 30.974 30 P 0.49416407183646 0.43573791130263 0.24426685209343 30.974 31 P 0.50583592816354 0.56426208869738 0.75573314790657 30.974 32 P 0.96083277278398 0.81800236660671 0.28747168802961 30.974 33 P 0.99974867121366 0.94775616187296 0.74807733464774 30.974 34 P 0.03916722721602 0.31800236660671 0.21252831197039 30.974 35 P 0.00025132878634 0.44775616187296 0.75192266535226 30.974 36 P 0.48895733549149 0.70223238459825 0.29157862347667 30.974 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.734090580113030 0.000000000000000 0.000000000000000 b 0.000000000000000 19.351816459999998 0.000000000000000 c -5.866104414322878 0.000000000000000 14.271031404659963 Atomic positions (fractional): 1 Ba 0.36869841447487 0.93991145631367 0.49577668748840 137.327 > 1 2 Ba 0.86869841447487 0.93991145631367 0.49577668748840 137.327 > 1 3 Ba 0.36869841447487 0.93991145631367 0.99577668748840 137.327 > 1 4 Ba 0.86869841447487 0.93991145631367 0.99577668748840 137.327 > 1 5 Ba 0.36869841447487 0.56008854368633 0.24577668748840 137.327 > 5 6 Ba 0.86869841447487 0.56008854368633 0.24577668748840 137.327 > 5 7 Ba 0.36869841447487 0.56008854368633 0.74577668748840 137.327 > 5 8 Ba 0.86869841447487 0.56008854368633 0.74577668748840 137.327 > 5 9 Ba 0.10466232490851 0.68225187568549 0.25344150476909 137.327 > 9 10 Ba 0.60466232490851 0.68225187568549 0.25344150476909 137.327 > 9 11 Ba 0.10466232490851 0.68225187568549 0.75344150476909 137.327 > 9 12 Ba 0.60466232490851 0.68225187568549 0.75344150476909 137.327 > 9 13 Ba 0.36993651204245 0.43381741699922 0.49373125354474 137.327 > 13 14 Ba 0.86993651204245 0.43381741699922 0.49373125354474 137.327 > 13 15 Ba 0.36993651204245 0.43381741699922 0.99373125354474 137.327 > 13 16 Ba 0.86993651204245 0.43381741699922 0.99373125354474 137.327 > 13 17 Ba 0.13130158552513 0.43991145631367 0.25422331251160 137.327 > 17 18 Ba 0.63130158552513 0.43991145631367 0.25422331251160 137.327 > 17 19 Ba 0.13130158552513 0.43991145631367 0.75422331251160 137.327 > 17 20 Ba 0.63130158552513 0.43991145631367 0.75422331251160 137.327 > 17 21 Ba 0.13006348795755 0.93381741699922 0.25626874645526 137.327 > 21 22 Ba 0.63006348795755 0.93381741699922 0.25626874645526 137.327 > 21 23 Ba 0.13006348795755 0.93381741699922 0.75626874645526 137.327 > 21 24 Ba 0.63006348795755 0.93381741699922 0.75626874645526 137.327 > 21 25 Ba 0.13130158552513 0.06008854368633 0.00422331251160 137.327 > 25 26 Ba 0.63130158552513 0.06008854368633 0.00422331251160 137.327 > 25 27 Ba 0.13130158552513 0.06008854368633 0.50422331251160 137.327 > 25 28 Ba 0.63130158552513 0.06008854368633 0.50422331251160 137.327 > 25 29 Ba 0.36993651204245 0.06618258300078 0.24373125354474 137.327 > 29 30 Ba 0.86993651204245 0.06618258300078 0.24373125354474 137.327 > 29 31 Ba 0.36993651204245 0.06618258300078 0.74373125354474 137.327 > 29 32 Ba 0.86993651204245 0.06618258300078 0.74373125354474 137.327 > 29 33 Ba 0.39533767509149 0.18225187568549 0.49655849523091 137.327 > 33 34 Ba 0.89533767509149 0.18225187568549 0.49655849523091 137.327 > 33 35 Ba 0.39533767509149 0.18225187568549 0.99655849523091 137.327 > 33 36 Ba 0.89533767509149 0.18225187568549 0.99655849523091 137.327 > 33 37 Ba 0.13006348795755 0.56618258300078 0.00626874645526 137.327 > 37 38 Ba 0.63006348795755 0.56618258300078 0.00626874645526 137.327 > 37 39 Ba 0.13006348795755 0.56618258300078 0.50626874645526 137.327 > 37 40 Ba 0.63006348795755 0.56618258300078 0.50626874645526 137.327 > 37 41 Ba 0.39533767509149 0.31774812431451 0.24655849523091 137.327 > 41 42 Ba 0.89533767509149 0.31774812431451 0.24655849523091 137.327 > 41 43 Ba 0.39533767509149 0.31774812431451 0.74655849523091 137.327 > 41 44 Ba 0.89533767509149 0.31774812431451 0.74655849523091 137.327 > 41 45 Ba 0.10466232490851 0.81774812431451 0.00344150476909 137.327 > 45 46 Ba 0.60466232490851 0.81774812431451 0.00344150476909 137.327 > 45 47 Ba 0.10466232490851 0.81774812431451 0.50344150476909 137.327 > 45 48 Ba 0.60466232490851 0.81774812431451 0.50344150476909 137.327 > 45 49 Sn 0.15790197995627 0.24247649779595 0.19587296260669 118.710 > 49 50 Sn 0.65790197995627 0.24247649779595 0.19587296260669 118.710 > 49 51 Sn 0.15790197995627 0.24247649779595 0.69587296260669 118.710 > 49 52 Sn 0.65790197995627 0.24247649779595 0.69587296260669 118.710 > 49 53 Sn 0.39560672506916 0.87863637840188 0.23882625989059 118.710 > 53 54 Sn 0.89560672506916 0.87863637840188 0.23882625989059 118.710 > 53 55 Sn 0.39560672506916 0.87863637840188 0.73882625989059 118.710 > 53 56 Sn 0.89560672506916 0.87863637840188 0.73882625989059 118.710 > 53 57 Sn 0.39560672506916 0.62136362159812 0.48882625989059 118.710 > 57 58 Sn 0.89560672506916 0.62136362159812 0.48882625989059 118.710 > 57 59 Sn 0.39560672506916 0.62136362159812 0.98882625989059 118.710 > 57 60 Sn 0.89560672506916 0.62136362159812 0.98882625989059 118.710 > 57 61 Sn 0.34209802004373 0.74247649779595 0.05412703739331 118.710 > 61 62 Sn 0.84209802004373 0.74247649779595 0.05412703739331 118.710 > 61 63 Sn 0.34209802004373 0.74247649779595 0.55412703739331 118.710 > 61 64 Sn 0.84209802004373 0.74247649779595 0.55412703739331 118.710 > 61 65 Sn 0.10439327493084 0.37863637840188 0.01117374010941 118.710 > 65 66 Sn 0.60439327493084 0.37863637840188 0.01117374010941 118.710 > 65 67 Sn 0.10439327493084 0.37863637840188 0.51117374010941 118.710 > 65 68 Sn 0.60439327493084 0.37863637840188 0.51117374010941 118.710 > 65 69 Sn 0.10439327493084 0.12136362159812 0.26117374010941 118.710 > 69 70 Sn 0.60439327493084 0.12136362159812 0.26117374010941 118.710 > 69 71 Sn 0.10439327493084 0.12136362159812 0.76117374010941 118.710 > 69 72 Sn 0.60439327493084 0.12136362159812 0.76117374010941 118.710 > 69 73 Sn 0.34209802004373 0.75752350220405 0.30412703739331 118.710 > 73 74 Sn 0.84209802004373 0.75752350220405 0.30412703739331 118.710 > 73 75 Sn 0.34209802004373 0.75752350220405 0.80412703739331 118.710 > 73 76 Sn 0.84209802004373 0.75752350220405 0.80412703739331 118.710 > 73 77 Sn 0.15790197995627 0.25752350220405 0.44587296260669 118.710 > 77 78 Sn 0.65790197995627 0.25752350220405 0.44587296260669 118.710 > 77 79 Sn 0.15790197995627 0.25752350220405 0.94587296260669 118.710 > 77 80 Sn 0.65790197995627 0.25752350220405 0.94587296260669 118.710 > 77 81 P 0.48041638639199 0.68199763339329 0.39373584401481 30.974 > 81 82 P 0.98041638639199 0.68199763339329 0.39373584401481 30.974 > 81 83 P 0.48041638639199 0.68199763339329 0.89373584401481 30.974 > 81 84 P 0.98041638639199 0.68199763339329 0.89373584401481 30.974 > 81 85 P 0.24708203591823 0.06426208869737 0.37213342604671 30.974 > 85 86 P 0.74708203591823 0.06426208869737 0.37213342604671 30.974 > 85 87 P 0.24708203591823 0.06426208869737 0.87213342604671 30.974 > 85 88 P 0.74708203591823 0.06426208869737 0.87213342604671 30.974 > 85 89 P 0.01958361360801 0.18199763339329 0.35626415598519 30.974 > 89 90 P 0.51958361360801 0.18199763339329 0.35626415598519 30.974 > 89 91 P 0.01958361360801 0.18199763339329 0.85626415598519 30.974 > 89 92 P 0.51958361360801 0.18199763339329 0.85626415598519 30.974 > 89 93 P 0.49987433560683 0.55224383812704 0.12403866732387 30.974 > 93 94 P 0.99987433560683 0.55224383812704 0.12403866732387 30.974 > 93 95 P 0.49987433560683 0.55224383812704 0.62403866732387 30.974 > 93 96 P 0.99987433560683 0.55224383812704 0.62403866732387 30.974 > 93 97 P 0.24447866774574 0.79776761540175 0.39578931173833 30.974 > 97 98 P 0.74447866774574 0.79776761540175 0.39578931173833 30.974 > 97 99 P 0.24447866774574 0.79776761540175 0.89578931173833 30.974 > 97 100 P 0.74447866774574 0.79776761540175 0.89578931173833 30.974 > 97 101 P 0.25291796408177 0.93573791130262 0.12786657395329 30.974 > 101 102 P 0.75291796408177 0.93573791130262 0.12786657395329 30.974 > 101 103 P 0.25291796408177 0.93573791130262 0.62786657395329 30.974 > 101 104 P 0.75291796408177 0.93573791130262 0.62786657395329 30.974 > 101 105 P 0.25552133225426 0.20223238459825 0.10421068826167 30.974 > 105 106 P 0.75552133225426 0.20223238459825 0.10421068826167 30.974 > 105 107 P 0.25552133225426 0.20223238459825 0.60421068826167 30.974 > 105 108 P 0.75552133225426 0.20223238459825 0.60421068826167 30.974 > 105 109 P 0.25552133225426 0.29776761540175 0.35421068826167 30.974 > 109 110 P 0.75552133225426 0.29776761540175 0.35421068826167 30.974 > 109 111 P 0.25552133225426 0.29776761540175 0.85421068826167 30.974 > 109 112 P 0.75552133225426 0.29776761540175 0.85421068826167 30.974 > 109 113 P 0.00012566439317 0.05224383812704 0.12596133267613 30.974 > 113 114 P 0.50012566439317 0.05224383812704 0.12596133267613 30.974 > 113 115 P 0.00012566439317 0.05224383812704 0.62596133267613 30.974 > 113 116 P 0.50012566439317 0.05224383812704 0.62596133267613 30.974 > 113 117 P 0.24708203591823 0.43573791130263 0.12213342604671 30.974 > 117 118 P 0.74708203591823 0.43573791130263 0.12213342604671 30.974 > 117 119 P 0.24708203591823 0.43573791130263 0.62213342604671 30.974 > 117 120 P 0.74708203591823 0.43573791130263 0.62213342604671 30.974 > 117 121 P 0.25291796408177 0.56426208869738 0.37786657395329 30.974 > 121 122 P 0.75291796408177 0.56426208869738 0.37786657395329 30.974 > 121 123 P 0.25291796408177 0.56426208869738 0.87786657395329 30.974 > 121 124 P 0.75291796408177 0.56426208869738 0.87786657395329 30.974 > 121 125 P 0.48041638639199 0.81800236660671 0.14373584401481 30.974 > 125 126 P 0.98041638639199 0.81800236660671 0.14373584401481 30.974 > 125 127 P 0.48041638639199 0.81800236660671 0.64373584401481 30.974 > 125 128 P 0.98041638639199 0.81800236660671 0.64373584401481 30.974 > 125 129 P 0.49987433560683 0.94775616187296 0.37403866732387 30.974 > 129 130 P 0.99987433560683 0.94775616187296 0.37403866732387 30.974 > 129 131 P 0.49987433560683 0.94775616187296 0.87403866732387 30.974 > 129 132 P 0.99987433560683 0.94775616187296 0.87403866732387 30.974 > 129 133 P 0.01958361360801 0.31800236660671 0.10626415598519 30.974 > 133 134 P 0.51958361360801 0.31800236660671 0.10626415598519 30.974 > 133 135 P 0.01958361360801 0.31800236660671 0.60626415598519 30.974 > 133 136 P 0.51958361360801 0.31800236660671 0.60626415598519 30.974 > 133 137 P 0.00012566439317 0.44775616187296 0.37596133267613 30.974 > 137 138 P 0.50012566439317 0.44775616187296 0.37596133267613 30.974 > 137 139 P 0.00012566439317 0.44775616187296 0.87596133267613 30.974 > 137 140 P 0.50012566439317 0.44775616187296 0.87596133267613 30.974 > 137 141 P 0.24447866774574 0.70223238459825 0.14578931173833 30.974 > 141 142 P 0.74447866774574 0.70223238459825 0.14578931173833 30.974 > 141 143 P 0.24447866774574 0.70223238459825 0.64578931173833 30.974 > 141 144 P 0.74447866774574 0.70223238459825 0.64578931173833 30.974 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.7223582 0.0000000 0.3106319 0.0000000 11.7581257 0.0000000 0.3106069 0.0000000 12.8256542 -------------------------- Born effective charges -------------------------- 1 Ba 2.1882261 -0.0832111 0.1095006 0.2943398 3.2697920 -0.1847889 0.0098847 -0.0662878 3.2983060 2 Ba 2.1882261 0.0832111 0.1095006 -0.2943398 3.2697920 0.1847889 0.0098847 0.0662878 3.2983060 3 Ba 3.5783684 -0.0971819 0.1957872 0.2648399 2.2589081 -0.2231661 0.2666035 0.2367021 2.8743577 4 Ba 3.0121698 -0.0634677 0.1778948 -0.1129836 3.2351130 -0.0871982 0.3758317 0.1977222 2.2315327 5 Ba 2.1882261 0.0832111 0.1095006 -0.2943398 3.2697920 0.1847889 0.0098847 0.0662878 3.2983060 6 Ba 3.0121698 0.0634677 0.1778948 0.1129836 3.2351130 0.0871982 0.3758317 -0.1977222 2.2315327 7 Ba 2.1882261 -0.0832111 0.1095006 0.2943398 3.2697920 -0.1847889 0.0098847 -0.0662878 3.2983060 8 Ba 3.0121698 0.0634677 0.1778948 0.1129836 3.2351130 0.0871982 0.3758317 -0.1977222 2.2315327 9 Ba 3.5783684 0.0971819 0.1957872 -0.2648399 2.2589081 0.2231661 0.2666035 -0.2367021 2.8743577 10 Ba 3.0121698 -0.0634677 0.1778948 -0.1129836 3.2351130 -0.0871982 0.3758317 0.1977222 2.2315327 11 Ba 3.5783684 -0.0971819 0.1957872 0.2648399 2.2589081 -0.2231661 0.2666035 0.2367021 2.8743577 12 Ba 3.5783684 0.0971819 0.1957872 -0.2648399 2.2589081 0.2231661 0.2666035 -0.2367021 2.8743577 13 Sn 1.3337224 -0.2452083 -0.4886145 -0.3319526 1.5742947 -0.3908737 -0.2711593 -0.0389423 2.8233134 14 Sn 1.8814262 -0.0063055 0.4224678 -0.2153884 2.6553853 0.4054582 0.1196024 0.0327783 2.5222515 15 Sn 1.8814262 0.0063055 0.4224678 0.2153884 2.6553853 -0.4054582 0.1196024 -0.0327783 2.5222515 16 Sn 1.3337224 0.2452083 -0.4886145 0.3319526 1.5742947 0.3908737 -0.2711593 0.0389423 2.8233134 17 Sn 1.8814262 0.0063055 0.4224678 0.2153884 2.6553853 -0.4054582 0.1196024 -0.0327783 2.5222515 18 Sn 1.8814262 -0.0063055 0.4224678 -0.2153884 2.6553853 0.4054582 0.1196024 0.0327783 2.5222515 19 Sn 1.3337224 -0.2452083 -0.4886145 -0.3319526 1.5742947 -0.3908737 -0.2711593 -0.0389423 2.8233134 20 Sn 1.3337224 0.2452083 -0.4886145 0.3319526 1.5742947 0.3908737 -0.2711593 0.0389423 2.8233134 21 P -3.1105067 -0.0718682 0.3454362 -0.0040429 -3.1445674 0.4755267 0.1497307 0.6275329 -2.9895086 22 P -3.2583721 0.3271203 -0.5367576 0.1274092 -3.6713103 0.3001080 -0.6656089 0.4521376 -3.4324963 23 P -3.1105067 0.0718682 0.3454362 0.0040429 -3.1445674 -0.4755267 0.1497307 -0.6275329 -2.9895086 24 P -2.8927930 0.2869091 -0.5581316 0.3583995 -3.6991861 0.5030321 -0.6635804 0.4269786 -3.8398754 25 P -2.7322412 0.3272220 0.3324170 0.2903010 -2.4784294 0.2046338 0.6786957 0.1361057 -3.4878810 26 P -3.2583721 0.3271203 -0.5367576 0.1274092 -3.6713103 0.3001080 -0.6656089 0.4521376 -3.4324963 27 P -2.7322412 0.3272220 0.3324170 0.2903010 -2.4784294 0.2046338 0.6786957 0.1361057 -3.4878810 28 P -2.7322412 -0.3272220 0.3324170 -0.2903010 -2.4784294 -0.2046338 0.6786957 -0.1361057 -3.4878810 29 P -2.8927930 -0.2869091 -0.5581316 -0.3583995 -3.6991861 -0.5030321 -0.6635804 -0.4269786 -3.8398754 30 P -3.2583721 -0.3271203 -0.5367576 -0.1274092 -3.6713103 -0.3001080 -0.6656089 -0.4521376 -3.4324963 31 P -3.2583721 -0.3271203 -0.5367576 -0.1274092 -3.6713103 -0.3001080 -0.6656089 -0.4521376 -3.4324963 32 P -3.1105067 0.0718682 0.3454362 0.0040429 -3.1445674 -0.4755267 0.1497307 -0.6275329 -2.9895086 33 P -2.8927930 -0.2869091 -0.5581316 -0.3583995 -3.6991861 -0.5030321 -0.6635804 -0.4269786 -3.8398754 34 P -3.1105067 -0.0718682 0.3454362 -0.0040429 -3.1445674 0.4755267 0.1497307 0.6275329 -2.9895086 35 P -2.8927930 0.2869091 -0.5581316 0.3583995 -3.6991861 0.5030321 -0.6635804 0.4269786 -3.8398754 36 P -2.7322412 -0.3272220 0.3324170 -0.2903010 -2.4784294 -0.2046338 0.6786957 -0.1361057 -3.4878810 ---------------------------------------------------------------------------- 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] [-0.0038 0.0000 0.0092] [ 0.0038 0.0000 -0.0092] Computing fc3[ 9, 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] [-0.0038 0.0000 0.0092] [ 0.0038 0.0000 -0.0092] Computing fc3[ 13, 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] [-0.0038 0.0000 0.0092] [ 0.0038 0.0000 -0.0092] 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] [-0.0038 0.0000 0.0092] [ 0.0038 0.0000 -0.0092] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0038 0.0000 0.0092] [ 0.0038 0.0000 -0.0092] 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] [-0.0038 0.0000 0.0092] [ 0.0038 0.0000 -0.0092] Computing fc3[ 85, 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] [-0.0038 0.0000 0.0092] [ 0.0038 0.0000 -0.0092] Computing fc3[ 93, 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] [-0.0038 0.0000 0.0092] [ 0.0038 0.0000 -0.0092] 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] [-0.0038 0.0000 0.0092] [ 0.0038 0.0000 -0.0092] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 20:11:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 20:11:59]------------------------- 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 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.867045290056515 0.000000000000000 0.000000000000000 b 0.000000000000000 19.351816459999998 0.000000000000000 c -2.933052207161439 0.000000000000000 7.135515702329982 Atomic positions (fractional): 1 Ba 0.73739682894975 0.93991145631367 0.99155337497681 137.327 2 Ba 0.73739682894975 0.56008854368633 0.49155337497681 137.327 3 Ba 0.20932464981702 0.68225187568549 0.50688300953818 137.327 4 Ba 0.73987302408490 0.43381741699922 0.98746250708948 137.327 5 Ba 0.26260317105025 0.43991145631367 0.50844662502319 137.327 6 Ba 0.26012697591510 0.93381741699922 0.51253749291052 137.327 7 Ba 0.26260317105025 0.06008854368633 0.00844662502319 137.327 8 Ba 0.73987302408490 0.06618258300078 0.48746250708948 137.327 9 Ba 0.79067535018298 0.18225187568549 0.99311699046182 137.327 10 Ba 0.26012697591510 0.56618258300078 0.01253749291052 137.327 11 Ba 0.79067535018298 0.31774812431451 0.49311699046182 137.327 12 Ba 0.20932464981702 0.81774812431451 0.00688300953818 137.327 13 Sn 0.31580395991254 0.24247649779595 0.39174592521338 118.710 14 Sn 0.79121345013831 0.87863637840188 0.47765251978118 118.710 15 Sn 0.79121345013831 0.62136362159812 0.97765251978118 118.710 16 Sn 0.68419604008746 0.74247649779595 0.10825407478662 118.710 17 Sn 0.20878654986169 0.37863637840188 0.02234748021882 118.710 18 Sn 0.20878654986169 0.12136362159812 0.52234748021882 118.710 19 Sn 0.68419604008746 0.75752350220405 0.60825407478662 118.710 20 Sn 0.31580395991254 0.25752350220405 0.89174592521338 118.710 21 P 0.96083277278398 0.68199763339329 0.78747168802961 30.974 22 P 0.49416407183646 0.06426208869737 0.74426685209343 30.974 23 P 0.03916722721602 0.18199763339329 0.71252831197039 30.974 24 P 0.99974867121366 0.55224383812704 0.24807733464774 30.974 25 P 0.48895733549149 0.79776761540175 0.79157862347667 30.974 26 P 0.50583592816354 0.93573791130262 0.25573314790657 30.974 27 P 0.51104266450851 0.20223238459825 0.20842137652333 30.974 28 P 0.51104266450851 0.29776761540175 0.70842137652333 30.974 29 P 0.00025132878634 0.05224383812704 0.25192266535226 30.974 30 P 0.49416407183646 0.43573791130263 0.24426685209343 30.974 31 P 0.50583592816354 0.56426208869738 0.75573314790657 30.974 32 P 0.96083277278398 0.81800236660671 0.28747168802961 30.974 33 P 0.99974867121366 0.94775616187296 0.74807733464774 30.974 34 P 0.03916722721602 0.31800236660671 0.21252831197039 30.974 35 P 0.00025132878634 0.44775616187296 0.75192266535226 30.974 36 P 0.48895733549149 0.70223238459825 0.29157862347667 30.974 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.734090580113030 0.000000000000000 0.000000000000000 b 0.000000000000000 19.351816459999998 0.000000000000000 c -5.866104414322878 0.000000000000000 14.271031404659963 Atomic positions (fractional): 1 Ba 0.36869841447487 0.93991145631367 0.49577668748840 137.327 > 1 2 Ba 0.86869841447487 0.93991145631367 0.49577668748840 137.327 > 1 3 Ba 0.36869841447487 0.93991145631367 0.99577668748840 137.327 > 1 4 Ba 0.86869841447487 0.93991145631367 0.99577668748840 137.327 > 1 5 Ba 0.36869841447487 0.56008854368633 0.24577668748840 137.327 > 5 6 Ba 0.86869841447487 0.56008854368633 0.24577668748840 137.327 > 5 7 Ba 0.36869841447487 0.56008854368633 0.74577668748840 137.327 > 5 8 Ba 0.86869841447487 0.56008854368633 0.74577668748840 137.327 > 5 9 Ba 0.10466232490851 0.68225187568549 0.25344150476909 137.327 > 9 10 Ba 0.60466232490851 0.68225187568549 0.25344150476909 137.327 > 9 11 Ba 0.10466232490851 0.68225187568549 0.75344150476909 137.327 > 9 12 Ba 0.60466232490851 0.68225187568549 0.75344150476909 137.327 > 9 13 Ba 0.36993651204245 0.43381741699922 0.49373125354474 137.327 > 13 14 Ba 0.86993651204245 0.43381741699922 0.49373125354474 137.327 > 13 15 Ba 0.36993651204245 0.43381741699922 0.99373125354474 137.327 > 13 16 Ba 0.86993651204245 0.43381741699922 0.99373125354474 137.327 > 13 17 Ba 0.13130158552513 0.43991145631367 0.25422331251160 137.327 > 17 18 Ba 0.63130158552513 0.43991145631367 0.25422331251160 137.327 > 17 19 Ba 0.13130158552513 0.43991145631367 0.75422331251160 137.327 > 17 20 Ba 0.63130158552513 0.43991145631367 0.75422331251160 137.327 > 17 21 Ba 0.13006348795755 0.93381741699922 0.25626874645526 137.327 > 21 22 Ba 0.63006348795755 0.93381741699922 0.25626874645526 137.327 > 21 23 Ba 0.13006348795755 0.93381741699922 0.75626874645526 137.327 > 21 24 Ba 0.63006348795755 0.93381741699922 0.75626874645526 137.327 > 21 25 Ba 0.13130158552513 0.06008854368633 0.00422331251160 137.327 > 25 26 Ba 0.63130158552513 0.06008854368633 0.00422331251160 137.327 > 25 27 Ba 0.13130158552513 0.06008854368633 0.50422331251160 137.327 > 25 28 Ba 0.63130158552513 0.06008854368633 0.50422331251160 137.327 > 25 29 Ba 0.36993651204245 0.06618258300078 0.24373125354474 137.327 > 29 30 Ba 0.86993651204245 0.06618258300078 0.24373125354474 137.327 > 29 31 Ba 0.36993651204245 0.06618258300078 0.74373125354474 137.327 > 29 32 Ba 0.86993651204245 0.06618258300078 0.74373125354474 137.327 > 29 33 Ba 0.39533767509149 0.18225187568549 0.49655849523091 137.327 > 33 34 Ba 0.89533767509149 0.18225187568549 0.49655849523091 137.327 > 33 35 Ba 0.39533767509149 0.18225187568549 0.99655849523091 137.327 > 33 36 Ba 0.89533767509149 0.18225187568549 0.99655849523091 137.327 > 33 37 Ba 0.13006348795755 0.56618258300078 0.00626874645526 137.327 > 37 38 Ba 0.63006348795755 0.56618258300078 0.00626874645526 137.327 > 37 39 Ba 0.13006348795755 0.56618258300078 0.50626874645526 137.327 > 37 40 Ba 0.63006348795755 0.56618258300078 0.50626874645526 137.327 > 37 41 Ba 0.39533767509149 0.31774812431451 0.24655849523091 137.327 > 41 42 Ba 0.89533767509149 0.31774812431451 0.24655849523091 137.327 > 41 43 Ba 0.39533767509149 0.31774812431451 0.74655849523091 137.327 > 41 44 Ba 0.89533767509149 0.31774812431451 0.74655849523091 137.327 > 41 45 Ba 0.10466232490851 0.81774812431451 0.00344150476909 137.327 > 45 46 Ba 0.60466232490851 0.81774812431451 0.00344150476909 137.327 > 45 47 Ba 0.10466232490851 0.81774812431451 0.50344150476909 137.327 > 45 48 Ba 0.60466232490851 0.81774812431451 0.50344150476909 137.327 > 45 49 Sn 0.15790197995627 0.24247649779595 0.19587296260669 118.710 > 49 50 Sn 0.65790197995627 0.24247649779595 0.19587296260669 118.710 > 49 51 Sn 0.15790197995627 0.24247649779595 0.69587296260669 118.710 > 49 52 Sn 0.65790197995627 0.24247649779595 0.69587296260669 118.710 > 49 53 Sn 0.39560672506916 0.87863637840188 0.23882625989059 118.710 > 53 54 Sn 0.89560672506916 0.87863637840188 0.23882625989059 118.710 > 53 55 Sn 0.39560672506916 0.87863637840188 0.73882625989059 118.710 > 53 56 Sn 0.89560672506916 0.87863637840188 0.73882625989059 118.710 > 53 57 Sn 0.39560672506916 0.62136362159812 0.48882625989059 118.710 > 57 58 Sn 0.89560672506916 0.62136362159812 0.48882625989059 118.710 > 57 59 Sn 0.39560672506916 0.62136362159812 0.98882625989059 118.710 > 57 60 Sn 0.89560672506916 0.62136362159812 0.98882625989059 118.710 > 57 61 Sn 0.34209802004373 0.74247649779595 0.05412703739331 118.710 > 61 62 Sn 0.84209802004373 0.74247649779595 0.05412703739331 118.710 > 61 63 Sn 0.34209802004373 0.74247649779595 0.55412703739331 118.710 > 61 64 Sn 0.84209802004373 0.74247649779595 0.55412703739331 118.710 > 61 65 Sn 0.10439327493084 0.37863637840188 0.01117374010941 118.710 > 65 66 Sn 0.60439327493084 0.37863637840188 0.01117374010941 118.710 > 65 67 Sn 0.10439327493084 0.37863637840188 0.51117374010941 118.710 > 65 68 Sn 0.60439327493084 0.37863637840188 0.51117374010941 118.710 > 65 69 Sn 0.10439327493084 0.12136362159812 0.26117374010941 118.710 > 69 70 Sn 0.60439327493084 0.12136362159812 0.26117374010941 118.710 > 69 71 Sn 0.10439327493084 0.12136362159812 0.76117374010941 118.710 > 69 72 Sn 0.60439327493084 0.12136362159812 0.76117374010941 118.710 > 69 73 Sn 0.34209802004373 0.75752350220405 0.30412703739331 118.710 > 73 74 Sn 0.84209802004373 0.75752350220405 0.30412703739331 118.710 > 73 75 Sn 0.34209802004373 0.75752350220405 0.80412703739331 118.710 > 73 76 Sn 0.84209802004373 0.75752350220405 0.80412703739331 118.710 > 73 77 Sn 0.15790197995627 0.25752350220405 0.44587296260669 118.710 > 77 78 Sn 0.65790197995627 0.25752350220405 0.44587296260669 118.710 > 77 79 Sn 0.15790197995627 0.25752350220405 0.94587296260669 118.710 > 77 80 Sn 0.65790197995627 0.25752350220405 0.94587296260669 118.710 > 77 81 P 0.48041638639199 0.68199763339329 0.39373584401481 30.974 > 81 82 P 0.98041638639199 0.68199763339329 0.39373584401481 30.974 > 81 83 P 0.48041638639199 0.68199763339329 0.89373584401481 30.974 > 81 84 P 0.98041638639199 0.68199763339329 0.89373584401481 30.974 > 81 85 P 0.24708203591823 0.06426208869737 0.37213342604671 30.974 > 85 86 P 0.74708203591823 0.06426208869737 0.37213342604671 30.974 > 85 87 P 0.24708203591823 0.06426208869737 0.87213342604671 30.974 > 85 88 P 0.74708203591823 0.06426208869737 0.87213342604671 30.974 > 85 89 P 0.01958361360801 0.18199763339329 0.35626415598519 30.974 > 89 90 P 0.51958361360801 0.18199763339329 0.35626415598519 30.974 > 89 91 P 0.01958361360801 0.18199763339329 0.85626415598519 30.974 > 89 92 P 0.51958361360801 0.18199763339329 0.85626415598519 30.974 > 89 93 P 0.49987433560683 0.55224383812704 0.12403866732387 30.974 > 93 94 P 0.99987433560683 0.55224383812704 0.12403866732387 30.974 > 93 95 P 0.49987433560683 0.55224383812704 0.62403866732387 30.974 > 93 96 P 0.99987433560683 0.55224383812704 0.62403866732387 30.974 > 93 97 P 0.24447866774574 0.79776761540175 0.39578931173833 30.974 > 97 98 P 0.74447866774574 0.79776761540175 0.39578931173833 30.974 > 97 99 P 0.24447866774574 0.79776761540175 0.89578931173833 30.974 > 97 100 P 0.74447866774574 0.79776761540175 0.89578931173833 30.974 > 97 101 P 0.25291796408177 0.93573791130262 0.12786657395329 30.974 > 101 102 P 0.75291796408177 0.93573791130262 0.12786657395329 30.974 > 101 103 P 0.25291796408177 0.93573791130262 0.62786657395329 30.974 > 101 104 P 0.75291796408177 0.93573791130262 0.62786657395329 30.974 > 101 105 P 0.25552133225426 0.20223238459825 0.10421068826167 30.974 > 105 106 P 0.75552133225426 0.20223238459825 0.10421068826167 30.974 > 105 107 P 0.25552133225426 0.20223238459825 0.60421068826167 30.974 > 105 108 P 0.75552133225426 0.20223238459825 0.60421068826167 30.974 > 105 109 P 0.25552133225426 0.29776761540175 0.35421068826167 30.974 > 109 110 P 0.75552133225426 0.29776761540175 0.35421068826167 30.974 > 109 111 P 0.25552133225426 0.29776761540175 0.85421068826167 30.974 > 109 112 P 0.75552133225426 0.29776761540175 0.85421068826167 30.974 > 109 113 P 0.00012566439317 0.05224383812704 0.12596133267613 30.974 > 113 114 P 0.50012566439317 0.05224383812704 0.12596133267613 30.974 > 113 115 P 0.00012566439317 0.05224383812704 0.62596133267613 30.974 > 113 116 P 0.50012566439317 0.05224383812704 0.62596133267613 30.974 > 113 117 P 0.24708203591823 0.43573791130263 0.12213342604671 30.974 > 117 118 P 0.74708203591823 0.43573791130263 0.12213342604671 30.974 > 117 119 P 0.24708203591823 0.43573791130263 0.62213342604671 30.974 > 117 120 P 0.74708203591823 0.43573791130263 0.62213342604671 30.974 > 117 121 P 0.25291796408177 0.56426208869738 0.37786657395329 30.974 > 121 122 P 0.75291796408177 0.56426208869738 0.37786657395329 30.974 > 121 123 P 0.25291796408177 0.56426208869738 0.87786657395329 30.974 > 121 124 P 0.75291796408177 0.56426208869738 0.87786657395329 30.974 > 121 125 P 0.48041638639199 0.81800236660671 0.14373584401481 30.974 > 125 126 P 0.98041638639199 0.81800236660671 0.14373584401481 30.974 > 125 127 P 0.48041638639199 0.81800236660671 0.64373584401481 30.974 > 125 128 P 0.98041638639199 0.81800236660671 0.64373584401481 30.974 > 125 129 P 0.49987433560683 0.94775616187296 0.37403866732387 30.974 > 129 130 P 0.99987433560683 0.94775616187296 0.37403866732387 30.974 > 129 131 P 0.49987433560683 0.94775616187296 0.87403866732387 30.974 > 129 132 P 0.99987433560683 0.94775616187296 0.87403866732387 30.974 > 129 133 P 0.01958361360801 0.31800236660671 0.10626415598519 30.974 > 133 134 P 0.51958361360801 0.31800236660671 0.10626415598519 30.974 > 133 135 P 0.01958361360801 0.31800236660671 0.60626415598519 30.974 > 133 136 P 0.51958361360801 0.31800236660671 0.60626415598519 30.974 > 133 137 P 0.00012566439317 0.44775616187296 0.37596133267613 30.974 > 137 138 P 0.50012566439317 0.44775616187296 0.37596133267613 30.974 > 137 139 P 0.00012566439317 0.44775616187296 0.87596133267613 30.974 > 137 140 P 0.50012566439317 0.44775616187296 0.87596133267613 30.974 > 137 141 P 0.24447866774574 0.70223238459825 0.14578931173833 30.974 > 141 142 P 0.74447866774574 0.70223238459825 0.14578931173833 30.974 > 141 143 P 0.24447866774574 0.70223238459825 0.64578931173833 30.974 > 141 144 P 0.74447866774574 0.70223238459825 0.64578931173833 30.974 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 10.7223582 0.0000000 0.3106319 0.0000000 11.7581257 0.0000000 0.3106069 0.0000000 12.8256542 -------------------------- Born effective charges -------------------------- 1 Ba 2.1882261 -0.0832111 0.1095006 0.2943398 3.2697920 -0.1847889 0.0098847 -0.0662878 3.2983060 2 Ba 2.1882261 0.0832111 0.1095006 -0.2943398 3.2697920 0.1847889 0.0098847 0.0662878 3.2983060 3 Ba 3.5783684 -0.0971819 0.1957872 0.2648399 2.2589081 -0.2231661 0.2666035 0.2367021 2.8743577 4 Ba 3.0121698 -0.0634677 0.1778948 -0.1129836 3.2351130 -0.0871982 0.3758317 0.1977222 2.2315327 5 Ba 2.1882261 0.0832111 0.1095006 -0.2943398 3.2697920 0.1847889 0.0098847 0.0662878 3.2983060 6 Ba 3.0121698 0.0634677 0.1778948 0.1129836 3.2351130 0.0871982 0.3758317 -0.1977222 2.2315327 7 Ba 2.1882261 -0.0832111 0.1095006 0.2943398 3.2697920 -0.1847889 0.0098847 -0.0662878 3.2983060 8 Ba 3.0121698 0.0634677 0.1778948 0.1129836 3.2351130 0.0871982 0.3758317 -0.1977222 2.2315327 9 Ba 3.5783684 0.0971819 0.1957872 -0.2648399 2.2589081 0.2231661 0.2666035 -0.2367021 2.8743577 10 Ba 3.0121698 -0.0634677 0.1778948 -0.1129836 3.2351130 -0.0871982 0.3758317 0.1977222 2.2315327 11 Ba 3.5783684 -0.0971819 0.1957872 0.2648399 2.2589081 -0.2231661 0.2666035 0.2367021 2.8743577 12 Ba 3.5783684 0.0971819 0.1957872 -0.2648399 2.2589081 0.2231661 0.2666035 -0.2367021 2.8743577 13 Sn 1.3337224 -0.2452083 -0.4886145 -0.3319526 1.5742947 -0.3908737 -0.2711593 -0.0389423 2.8233134 14 Sn 1.8814262 -0.0063055 0.4224678 -0.2153884 2.6553853 0.4054582 0.1196024 0.0327783 2.5222515 15 Sn 1.8814262 0.0063055 0.4224678 0.2153884 2.6553853 -0.4054582 0.1196024 -0.0327783 2.5222515 16 Sn 1.3337224 0.2452083 -0.4886145 0.3319526 1.5742947 0.3908737 -0.2711593 0.0389423 2.8233134 17 Sn 1.8814262 0.0063055 0.4224678 0.2153884 2.6553853 -0.4054582 0.1196024 -0.0327783 2.5222515 18 Sn 1.8814262 -0.0063055 0.4224678 -0.2153884 2.6553853 0.4054582 0.1196024 0.0327783 2.5222515 19 Sn 1.3337224 -0.2452083 -0.4886145 -0.3319526 1.5742947 -0.3908737 -0.2711593 -0.0389423 2.8233134 20 Sn 1.3337224 0.2452083 -0.4886145 0.3319526 1.5742947 0.3908737 -0.2711593 0.0389423 2.8233134 21 P -3.1105067 -0.0718682 0.3454362 -0.0040429 -3.1445674 0.4755267 0.1497307 0.6275329 -2.9895086 22 P -3.2583721 0.3271203 -0.5367576 0.1274092 -3.6713103 0.3001080 -0.6656089 0.4521376 -3.4324963 23 P -3.1105067 0.0718682 0.3454362 0.0040429 -3.1445674 -0.4755267 0.1497307 -0.6275329 -2.9895086 24 P -2.8927930 0.2869091 -0.5581316 0.3583995 -3.6991861 0.5030321 -0.6635804 0.4269786 -3.8398754 25 P -2.7322412 0.3272220 0.3324170 0.2903010 -2.4784294 0.2046338 0.6786957 0.1361057 -3.4878810 26 P -3.2583721 0.3271203 -0.5367576 0.1274092 -3.6713103 0.3001080 -0.6656089 0.4521376 -3.4324963 27 P -2.7322412 0.3272220 0.3324170 0.2903010 -2.4784294 0.2046338 0.6786957 0.1361057 -3.4878810 28 P -2.7322412 -0.3272220 0.3324170 -0.2903010 -2.4784294 -0.2046338 0.6786957 -0.1361057 -3.4878810 29 P -2.8927930 -0.2869091 -0.5581316 -0.3583995 -3.6991861 -0.5030321 -0.6635804 -0.4269786 -3.8398754 30 P -3.2583721 -0.3271203 -0.5367576 -0.1274092 -3.6713103 -0.3001080 -0.6656089 -0.4521376 -3.4324963 31 P -3.2583721 -0.3271203 -0.5367576 -0.1274092 -3.6713103 -0.3001080 -0.6656089 -0.4521376 -3.4324963 32 P -3.1105067 0.0718682 0.3454362 0.0040429 -3.1445674 -0.4755267 0.1497307 -0.6275329 -2.9895086 33 P -2.8927930 -0.2869091 -0.5581316 -0.3583995 -3.6991861 -0.5030321 -0.6635804 -0.4269786 -3.8398754 34 P -3.1105067 -0.0718682 0.3454362 -0.0040429 -3.1445674 0.4755267 0.1497307 0.6275329 -2.9895086 35 P -2.8927930 0.2869091 -0.5581316 0.3583995 -3.6991861 0.5030321 -0.6635804 0.4269786 -3.8398754 36 P -2.7322412 -0.3272220 0.3324170 -0.2903010 -2.4784294 -0.2046338 0.6786957 -0.1361057 -3.4878810 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 3 7 ] 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: 0.40, Number of G-points: 295, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/50) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.976 ( 0.000 0.000 0.000) 0.000 1.006 ( 0.000 0.000 0.000) 0.000 1.299 ( 0.000 0.000 0.000) 0.000 1.430 ( 0.000 0.000 0.000) 0.000 1.656 ( 0.000 0.000 0.000) 0.000 1.659 ( 0.000 0.000 0.000) 0.000 1.739 ( 0.000 0.000 0.000) 0.000 1.767 ( 0.000 0.000 0.000) 0.000 1.893 ( 0.000 0.000 0.000) 0.000 1.917 ( 0.000 0.000 0.000) 0.000 1.933 ( 0.000 0.000 0.000) 0.000 1.957 ( 0.000 0.000 0.000) 0.000 1.989 ( 0.000 0.000 0.000) 0.000 2.009 ( 0.000 0.000 0.000) 0.000 2.018 ( 0.000 0.000 0.000) 0.000 2.085 ( 0.000 0.000 0.000) 0.000 2.095 ( 0.000 0.000 0.000) 0.000 2.111 ( 0.000 0.000 0.000) 0.000 2.211 ( 0.000 0.000 0.000) 0.000 2.244 ( 0.000 0.000 0.000) 0.000 2.249 ( 0.000 0.000 0.000) 0.000 2.258 ( 0.000 0.000 0.000) 0.000 2.300 ( 0.000 0.000 0.000) 0.000 2.303 ( 0.000 0.000 0.000) 0.000 2.333 ( 0.000 0.000 0.000) 0.000 2.341 ( 0.000 0.000 0.000) 0.000 2.398 ( 0.000 0.000 0.000) 0.000 2.424 ( 0.000 0.000 0.000) 0.000 2.437 ( 0.000 0.000 0.000) 0.000 2.474 ( 0.000 0.000 0.000) 0.000 2.481 ( 0.000 0.000 0.000) 0.000 2.486 ( 0.000 0.000 0.000) 0.000 2.531 ( 0.000 0.000 0.000) 0.000 2.563 ( 0.000 0.000 0.000) 0.000 2.575 ( 0.000 0.000 0.000) 0.000 2.614 ( 0.000 0.000 0.000) 0.000 2.661 ( 0.000 0.000 0.000) 0.000 2.690 ( 0.000 0.000 0.000) 0.000 2.714 ( 0.000 0.000 0.000) 0.000 2.762 ( 0.000 0.000 0.000) 0.000 2.998 ( 0.000 0.000 0.000) 0.000 3.057 ( 0.000 0.000 0.000) 0.000 3.107 ( 0.000 0.000 0.000) 0.000 3.113 ( 0.000 0.000 0.000) 0.000 3.214 ( 0.000 0.000 0.000) 0.000 3.310 ( 0.000 0.000 0.000) 0.000 3.452 ( 0.000 0.000 0.000) 0.000 3.481 ( 0.000 0.000 0.000) 0.000 3.481 ( 0.000 0.000 0.000) 0.000 3.483 ( 0.000 0.000 0.000) 0.000 3.526 ( 0.000 0.000 0.000) 0.000 3.657 ( 0.000 0.000 0.000) 0.000 3.706 ( 0.000 0.000 0.000) 0.000 4.701 ( 0.000 0.000 0.000) 0.000 4.701 ( 0.000 0.000 0.000) 0.000 4.714 ( 0.000 0.000 0.000) 0.000 4.758 ( 0.000 0.000 0.000) 0.000 4.765 ( 0.000 0.000 0.000) 0.000 4.942 ( 0.000 0.000 0.000) 0.000 5.108 ( 0.000 0.000 0.000) 0.000 5.174 ( 0.000 0.000 0.000) 0.000 5.182 ( 0.000 0.000 0.000) 0.000 5.198 ( 0.000 0.000 0.000) 0.000 5.239 ( 0.000 0.000 0.000) 0.000 5.270 ( 0.000 0.000 0.000) 0.000 5.358 ( 0.000 0.000 0.000) 0.000 5.372 ( 0.000 0.000 0.000) 0.000 5.389 ( 0.000 0.000 0.000) 0.000 5.414 ( 0.000 0.000 0.000) 0.000 5.509 ( 0.000 0.000 0.000) 0.000 5.583 ( 0.000 0.000 0.000) 0.000 5.627 ( 0.000 0.000 0.000) 0.000 5.698 ( 0.000 0.000 0.000) 0.000 5.864 ( 0.000 0.000 0.000) 0.000 5.869 ( 0.000 0.000 0.000) 0.000 5.895 ( 0.000 0.000 0.000) 0.000 5.928 ( 0.000 0.000 0.000) 0.000 5.989 ( 0.000 0.000 0.000) 0.000 6.074 ( 0.000 0.000 0.000) 0.000 6.288 ( 0.000 0.000 0.000) 0.000 6.452 ( 0.000 0.000 0.000) 0.000 7.518 ( 0.000 0.000 0.000) 0.000 7.582 ( 0.000 0.000 0.000) 0.000 7.586 ( 0.000 0.000 0.000) 0.000 7.600 ( 0.000 0.000 0.000) 0.000 7.989 ( 0.000 0.000 0.000) 0.000 8.044 ( 0.000 0.000 0.000) 0.000 8.050 ( 0.000 0.000 0.000) 0.000 8.053 ( 0.000 0.000 0.000) 0.000 8.094 ( 0.000 0.000 0.000) 0.000 8.112 ( 0.000 0.000 0.000) 0.000 8.315 ( 0.000 0.000 0.000) 0.000 8.329 ( 0.000 0.000 0.000) 0.000 8.390 ( 0.000 0.000 0.000) 0.000 8.523 ( 0.000 0.000 0.000) 0.000 8.568 ( 0.000 0.000 0.000) 0.000 8.630 ( 0.000 0.000 0.000) 0.000 8.902 ( 0.000 0.000 0.000) 0.000 8.909 ( 0.000 0.000 0.000) 0.000 8.973 ( 0.000 0.000 0.000) 0.000 8.974 ( 0.000 0.000 0.000) 0.000 9.166 ( 0.000 0.000 0.000) 0.000 9.307 ( 0.000 0.000 0.000) 0.000 9.310 ( 0.000 0.000 0.000) 0.000 9.325 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/50) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.501 ( 19.956 0.000 16.596) 25.955 0.502 ( 26.976 0.000 -0.635) 26.983 0.722 ( 31.131 0.000 17.690) 35.806 1.044 ( 8.628 0.000 -3.636) 9.362 1.100 ( 11.167 0.000 -5.861) 12.612 1.249 ( 1.103 0.000 -6.797) 6.886 1.299 ( -4.275 0.000 -10.942) 11.748 1.682 ( 0.556 0.000 4.197) 4.234 1.729 ( 4.042 0.000 3.572) 5.395 1.794 ( 1.512 0.000 1.190) 1.924 1.798 ( 0.324 0.000 1.679) 1.710 1.822 ( -6.513 0.000 -0.726) 6.553 1.910 ( -2.633 0.000 1.353) 2.960 1.937 ( -0.907 0.000 -0.459) 1.017 1.951 ( 0.647 0.000 2.714) 2.790 1.994 ( -0.541 0.000 0.688) 0.875 2.039 ( 3.087 0.000 1.744) 3.546 2.042 ( 1.136 0.000 2.306) 2.571 2.101 ( -0.543 0.000 1.883) 1.960 2.127 ( 1.736 0.000 -2.399) 2.961 2.178 ( -0.151 0.000 0.790) 0.804 2.186 ( 2.175 0.000 4.485) 4.984 2.206 ( -0.376 0.000 1.198) 1.256 2.242 ( -1.552 0.000 -0.919) 1.804 2.256 ( -0.380 0.000 -0.933) 1.007 2.256 ( 0.191 0.000 -4.574) 4.578 2.275 ( -1.972 0.000 -0.282) 1.992 2.333 ( 0.876 0.000 -0.653) 1.093 2.376 ( -1.804 0.000 0.526) 1.879 2.385 ( -4.329 0.000 -0.938) 4.430 2.417 ( -2.673 0.000 -1.946) 3.306 2.421 ( 3.200 0.000 -1.614) 3.584 2.437 ( 3.490 0.000 -0.736) 3.567 2.499 ( -0.177 0.000 -0.070) 0.190 2.545 ( -2.908 0.000 2.694) 3.964 2.562 ( 1.074 0.000 2.655) 2.864 2.579 ( 3.432 0.000 1.412) 3.711 2.597 ( 0.564 0.000 2.998) 3.051 2.642 ( 1.566 0.000 2.885) 3.283 2.689 ( 2.032 0.000 1.036) 2.281 2.695 ( 1.898 0.000 -2.892) 3.459 2.738 ( 0.467 0.000 1.530) 1.600 2.760 ( 0.499 0.000 -1.647) 1.721 3.051 ( -0.496 0.000 -0.107) 0.507 3.120 ( 1.784 0.000 -0.362) 1.821 3.146 ( 0.658 0.000 4.169) 4.221 3.177 ( 0.025 0.000 -0.398) 0.398 3.267 ( -0.030 0.000 -3.839) 3.839 3.311 ( -1.817 0.000 3.366) 3.826 3.392 ( -7.020 0.000 -1.108) 7.107 3.437 ( -1.524 0.000 -3.920) 4.205 3.475 ( -0.717 0.000 3.922) 3.987 3.515 ( 0.176 0.000 2.150) 2.158 3.542 ( -0.892 0.000 3.808) 3.911 3.626 ( -2.555 0.000 -1.253) 2.846 3.700 ( -0.859 0.000 -0.201) 0.882 4.702 ( 0.927 0.000 -0.761) 1.200 4.712 ( -0.531 0.000 1.250) 1.358 4.715 ( -0.145 0.000 2.033) 2.039 4.790 ( 0.193 0.000 2.251) 2.259 4.790 ( 0.936 0.000 2.246) 2.433 5.002 ( -3.007 0.000 6.201) 6.892 5.098 ( -0.366 0.000 -1.210) 1.265 5.117 ( -4.400 0.000 0.883) 4.488 5.184 ( -1.425 0.000 0.687) 1.583 5.213 ( 1.931 0.000 -1.251) 2.301 5.256 ( 0.516 0.000 1.425) 1.516 5.280 ( 1.111 0.000 0.712) 1.320 5.342 ( -0.863 0.000 -0.832) 1.199 5.400 ( 0.417 0.000 0.800) 0.902 5.404 ( -0.526 0.000 3.364) 3.405 5.481 ( -3.267 0.000 0.622) 3.326 5.561 ( -1.569 0.000 -1.001) 1.861 5.579 ( -3.514 0.000 0.246) 3.523 5.597 ( 1.504 0.000 -2.501) 2.918 5.706 ( -0.248 0.000 2.416) 2.428 5.877 ( 2.151 0.000 -7.271) 7.583 5.904 ( 2.803 0.000 -4.696) 5.469 5.937 ( -0.221 0.000 3.396) 3.403 5.940 ( 4.445 0.000 -13.881) 14.575 6.006 ( 2.931 0.000 -2.248) 3.694 6.063 ( -0.548 0.000 -1.379) 1.484 6.258 ( -2.239 0.000 -1.952) 2.971 6.316 ( -10.990 0.000 -6.161) 12.599 7.524 ( 0.593 0.000 -0.090) 0.599 7.575 ( -0.830 0.000 -2.145) 2.300 7.579 ( -0.410 0.000 -0.542) 0.680 7.626 ( 1.884 0.000 -7.747) 7.972 7.992 ( 0.527 0.000 -0.575) 0.780 8.027 ( -0.170 0.000 -2.407) 2.413 8.043 ( -0.169 0.000 -1.347) 1.357 8.049 ( 0.195 0.000 -0.360) 0.409 8.121 ( -1.985 0.000 5.603) 5.944 8.144 ( -0.227 0.000 3.987) 3.994 8.310 ( -1.218 0.000 1.581) 1.996 8.333 ( -0.295 0.000 1.003) 1.046 8.390 ( 0.622 0.000 -0.447) 0.766 8.554 ( -3.651 0.000 -3.594) 5.123 8.639 ( 5.670 0.000 1.802) 5.949 8.728 ( 3.244 0.000 -2.388) 4.028 8.956 ( 2.021 0.000 0.464) 2.073 8.993 ( 1.066 0.000 3.194) 3.367 9.020 ( 3.548 0.000 2.670) 4.441 9.190 ( 1.561 0.000 2.543) 2.984 9.284 ( -2.158 0.000 -0.411) 2.197 9.322 ( 0.891 0.000 -1.646) 1.871 9.360 ( 2.459 0.000 6.436) 6.890 9.601 ( -9.886 0.000 24.672) 26.579 ======================= Grid point 2 (3/50) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( 22.904 0.000 -1.355) 22.944 0.958 ( 17.116 0.000 14.627) 22.515 1.147 ( 4.899 0.000 -3.276) 5.893 1.207 ( 5.981 0.000 -2.114) 6.344 1.257 ( 11.509 0.000 -7.992) 14.012 1.383 ( 17.820 0.000 -9.749) 20.313 1.386 ( 23.761 0.000 13.523) 27.339 1.669 ( -8.699 0.000 1.458) 8.820 1.722 ( -2.860 0.000 4.482) 5.317 1.783 ( -2.192 0.000 -0.108) 2.195 1.804 ( 1.026 0.000 0.130) 1.034 1.812 ( 1.826 0.000 -0.121) 1.830 1.845 ( -4.076 0.000 -1.763) 4.441 1.905 ( -2.333 0.000 -0.337) 2.357 1.941 ( -2.707 0.000 3.575) 4.484 1.997 ( 1.259 0.000 -1.009) 1.614 2.038 ( -5.283 0.000 -2.124) 5.694 2.072 ( -1.753 0.000 -2.199) 2.812 2.076 ( -1.912 0.000 2.079) 2.824 2.093 ( -0.417 0.000 -0.934) 1.023 2.147 ( -0.967 0.000 5.216) 5.305 2.197 ( -3.058 0.000 -3.947) 4.993 2.217 ( -0.015 0.000 -4.981) 4.981 2.222 ( -2.871 0.000 -0.640) 2.942 2.225 ( 0.435 0.000 -0.501) 0.664 2.247 ( 1.129 0.000 6.028) 6.133 2.296 ( -0.260 0.000 -0.121) 0.287 2.329 ( -0.894 0.000 -2.712) 2.855 2.366 ( 0.189 0.000 0.438) 0.477 2.400 ( 2.444 0.000 -1.042) 2.657 2.433 ( 4.668 0.000 3.220) 5.671 2.447 ( 4.250 0.000 0.288) 4.260 2.502 ( -1.557 0.000 3.082) 3.453 2.508 ( 2.423 0.000 0.895) 2.583 2.529 ( 0.902 0.000 3.868) 3.972 2.632 ( 1.205 0.000 1.626) 2.024 2.639 ( 5.369 0.000 4.103) 6.758 2.644 ( 1.901 0.000 4.807) 5.170 2.695 ( 0.933 0.000 3.998) 4.106 2.720 ( 3.687 0.000 -3.417) 5.027 2.731 ( 1.916 0.000 -0.016) 1.916 2.760 ( 1.184 0.000 -1.970) 2.298 2.760 ( 0.110 0.000 1.952) 1.955 3.053 ( 1.054 0.000 0.308) 1.098 3.130 ( -7.209 0.000 -0.567) 7.231 3.161 ( 2.849 0.000 -1.645) 3.290 3.166 ( -5.012 0.000 -2.833) 5.758 3.196 ( -2.064 0.000 3.144) 3.761 3.253 ( -6.344 0.000 0.432) 6.359 3.281 ( -1.764 0.000 -0.795) 1.935 3.396 ( -0.926 0.000 0.756) 1.195 3.467 ( -3.632 0.000 0.427) 3.657 3.525 ( -1.723 0.000 2.558) 3.084 3.553 ( 0.815 0.000 0.609) 1.018 3.573 ( -1.220 0.000 -0.042) 1.221 3.667 ( -1.959 0.000 -1.528) 2.484 4.714 ( -0.628 0.000 1.060) 1.232 4.720 ( 0.519 0.000 0.010) 0.519 4.721 ( 0.178 0.000 2.408) 2.415 4.784 ( -0.248 0.000 -0.128) 0.279 4.863 ( 3.542 0.000 1.911) 4.025 4.996 ( -0.950 0.000 2.626) 2.792 5.041 ( -4.133 0.000 0.466) 4.160 5.082 ( -0.217 0.000 -1.469) 1.485 5.159 ( -2.115 0.000 0.735) 2.240 5.243 ( 2.020 0.000 0.378) 2.055 5.270 ( -0.369 0.000 1.643) 1.684 5.315 ( 1.710 0.000 0.231) 1.726 5.326 ( -0.189 0.000 -0.431) 0.470 5.391 ( -2.546 0.000 0.578) 2.611 5.408 ( -1.907 0.000 2.579) 3.207 5.428 ( -2.111 0.000 1.576) 2.635 5.506 ( -2.975 0.000 -1.665) 3.409 5.537 ( -1.345 0.000 -0.253) 1.369 5.601 ( 0.033 0.000 -0.195) 0.198 5.721 ( -0.279 0.000 2.796) 2.810 5.847 ( 0.647 0.000 -5.924) 5.959 5.889 ( -0.715 0.000 -5.947) 5.989 5.932 ( 1.660 0.000 -2.124) 2.696 5.943 ( -1.408 0.000 1.433) 2.009 6.029 ( -3.126 0.000 -0.376) 3.148 6.051 ( 3.738 0.000 -2.958) 4.767 6.107 ( -3.371 0.000 -6.627) 7.435 6.194 ( -2.811 0.000 -1.497) 3.184 7.532 ( 0.185 0.000 -0.312) 0.363 7.556 ( 0.022 0.000 -1.121) 1.121 7.568 ( -0.056 0.000 -0.732) 0.735 7.595 ( -0.588 0.000 -3.048) 3.104 7.999 ( 0.746 0.000 -0.614) 0.966 8.020 ( 0.616 0.000 -0.838) 1.040 8.028 ( -0.246 0.000 -1.500) 1.519 8.050 ( 0.167 0.000 -0.368) 0.404 8.126 ( -0.998 0.000 3.090) 3.247 8.149 ( -1.576 0.000 2.288) 2.778 8.296 ( -1.574 0.000 1.876) 2.449 8.321 ( -1.479 0.000 0.527) 1.570 8.416 ( 1.960 0.000 0.541) 2.033 8.496 ( -1.084 0.000 -0.778) 1.334 8.750 ( 4.381 0.000 1.609) 4.668 8.778 ( 2.745 0.000 0.395) 2.774 8.970 ( 0.192 0.000 -0.099) 0.216 9.028 ( 0.375 0.000 1.467) 1.514 9.102 ( 2.571 0.000 1.457) 2.955 9.242 ( -1.788 0.000 -0.393) 1.831 9.252 ( 2.379 0.000 3.146) 3.944 9.348 ( 2.854 0.000 0.502) 2.897 9.453 ( 1.570 0.000 6.375) 6.565 9.599 ( -4.969 0.000 10.560) 11.670 ======================= Grid point 3 (4/50) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( 8.355 0.000 -1.498) 8.489 1.287 ( 10.682 0.000 -1.734) 10.821 1.306 ( 9.068 0.000 8.635) 12.522 1.350 ( 8.923 0.000 1.636) 9.072 1.425 ( 8.525 0.000 -3.697) 9.292 1.506 ( -5.503 0.000 -0.011) 5.503 1.614 ( 10.036 0.000 -6.699) 12.066 1.632 ( -7.273 0.000 3.078) 7.898 1.684 ( -4.522 0.000 -1.327) 4.713 1.713 ( 0.780 0.000 4.344) 4.413 1.732 ( -4.483 0.000 -4.403) 6.283 1.800 ( -0.513 0.000 -1.750) 1.824 1.840 ( -3.823 0.000 -1.058) 3.966 1.893 ( 2.406 0.000 2.881) 3.754 1.924 ( -3.280 0.000 5.589) 6.480 1.941 ( -0.935 0.000 0.385) 1.011 2.026 ( -3.326 0.000 -1.298) 3.570 2.048 ( 0.208 0.000 -1.539) 1.553 2.050 ( -0.812 0.000 -0.649) 1.040 2.114 ( -1.332 0.000 0.683) 1.497 2.140 ( -1.090 0.000 -2.286) 2.532 2.154 ( 9.833 0.000 0.445) 9.844 2.197 ( 0.581 0.000 0.027) 0.581 2.217 ( 0.137 0.000 1.672) 1.678 2.247 ( 2.179 0.000 0.127) 2.183 2.281 ( -0.615 0.000 2.890) 2.955 2.308 ( 0.275 0.000 -1.869) 1.889 2.314 ( 4.117 0.000 -1.113) 4.265 2.337 ( -4.489 0.000 1.760) 4.822 2.407 ( 2.229 0.000 1.896) 2.927 2.489 ( -0.228 0.000 0.794) 0.826 2.499 ( 1.242 0.000 1.618) 2.040 2.532 ( 4.071 0.000 -2.304) 4.678 2.555 ( -0.964 0.000 2.047) 2.263 2.568 ( 0.688 0.000 0.899) 1.132 2.653 ( 0.311 0.000 0.652) 0.722 2.684 ( -6.902 0.000 -3.582) 7.776 2.718 ( -0.326 0.000 2.119) 2.144 2.738 ( -1.278 0.000 0.466) 1.360 2.755 ( 0.925 0.000 0.580) 1.092 2.767 ( 1.978 0.000 -1.093) 2.260 2.818 ( 9.613 0.000 5.608) 11.129 2.836 ( 5.493 0.000 2.407) 5.998 2.901 ( -6.048 0.000 -1.106) 6.148 3.035 ( -7.658 0.000 -2.532) 8.066 3.120 ( -4.866 0.000 1.111) 4.991 3.143 ( 1.239 0.000 1.126) 1.674 3.157 ( -0.197 0.000 -0.544) 0.579 3.208 ( 0.831 0.000 -2.346) 2.488 3.278 ( 0.523 0.000 -0.307) 0.607 3.362 ( -4.244 0.000 -0.720) 4.305 3.402 ( -0.400 0.000 0.267) 0.480 3.504 ( -1.281 0.000 0.726) 1.473 3.571 ( 0.501 0.000 0.247) 0.559 3.581 ( 0.294 0.000 2.606) 2.622 3.617 ( -1.431 0.000 -2.707) 3.062 4.700 ( -0.694 0.000 0.021) 0.694 4.732 ( 0.309 0.000 0.225) 0.383 4.751 ( 0.743 0.000 2.408) 2.520 4.776 ( -0.193 0.000 -1.295) 1.309 4.927 ( 2.263 0.000 -0.133) 2.267 4.987 ( -2.143 0.000 0.987) 2.359 5.012 ( 0.723 0.000 1.802) 1.942 5.070 ( -0.122 0.000 -0.914) 0.922 5.113 ( -2.423 0.000 -0.601) 2.496 5.269 ( -0.568 0.000 0.952) 1.109 5.288 ( 1.993 0.000 0.733) 2.123 5.320 ( -0.791 0.000 -0.510) 0.941 5.332 ( 1.102 0.000 -0.120) 1.108 5.360 ( -0.971 0.000 0.348) 1.031 5.368 ( -2.783 0.000 0.346) 2.805 5.417 ( -0.475 0.000 0.889) 1.008 5.466 ( -0.472 0.000 -0.499) 0.687 5.518 ( -0.538 0.000 -0.172) 0.565 5.598 ( -0.146 0.000 0.056) 0.156 5.742 ( 0.368 0.000 2.199) 2.229 5.819 ( 0.116 0.000 -3.286) 3.288 5.833 ( -1.255 0.000 -2.015) 2.374 5.915 ( -1.532 0.000 0.145) 1.539 5.929 ( -0.312 0.000 -1.235) 1.274 5.991 ( 0.294 0.000 -1.129) 1.167 6.069 ( -0.187 0.000 -0.543) 0.575 6.093 ( 2.857 0.000 -2.264) 3.645 6.144 ( -2.281 0.000 0.685) 2.382 7.526 ( -0.243 0.000 -0.280) 0.370 7.555 ( 0.257 0.000 0.004) 0.257 7.567 ( -0.643 0.000 -1.148) 1.316 7.568 ( 0.269 0.000 -0.261) 0.375 8.008 ( 0.501 0.000 -0.312) 0.590 8.015 ( -0.258 0.000 -0.547) 0.605 8.030 ( 0.668 0.000 -0.192) 0.695 8.050 ( 0.044 0.000 -0.121) 0.129 8.130 ( -0.315 0.000 0.897) 0.951 8.133 ( -1.091 0.000 0.891) 1.409 8.288 ( -0.478 0.000 1.130) 1.227 8.299 ( -0.906 0.000 -0.089) 0.910 8.455 ( 1.508 0.000 0.518) 1.594 8.482 ( -0.580 0.000 -0.014) 0.580 8.811 ( 1.466 0.000 0.599) 1.583 8.821 ( 1.215 0.000 0.475) 1.305 8.970 ( -0.052 0.000 0.013) 0.053 9.035 ( -0.082 0.000 0.328) 0.339 9.129 ( 0.341 0.000 0.157) 0.375 9.218 ( -0.635 0.000 -0.264) 0.688 9.304 ( 1.153 0.000 1.337) 1.766 9.416 ( 2.854 0.000 0.468) 2.892 9.501 ( 0.272 0.000 2.358) 2.374 9.580 ( -2.647 0.000 3.550) 4.428 ======================= Grid point 7 (5/50) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.348 ( 0.000 19.871 0.000) 19.871 0.505 ( 0.000 28.450 0.000) 28.450 0.661 ( 0.000 9.466 0.000) 9.466 0.702 ( 0.000 10.441 0.000) 10.441 0.967 ( 0.000 -24.671 0.000) 24.671 1.281 ( 0.000 16.232 0.000) 16.232 1.307 ( 0.000 -32.729 0.000) 32.729 1.549 ( 0.000 -14.339 0.000) 14.339 1.655 ( 0.000 12.648 0.000) 12.648 1.748 ( 0.000 8.012 0.000) 8.012 1.775 ( 0.000 1.393 0.000) 1.393 1.854 ( 0.000 -9.650 0.000) 9.650 1.886 ( 0.000 -1.754 0.000) 1.754 1.897 ( 0.000 1.814 0.000) 1.814 1.961 ( 0.000 -2.876 0.000) 2.876 1.994 ( 0.000 -7.416 0.000) 7.416 2.016 ( 0.000 0.698 0.000) 0.698 2.032 ( 0.000 0.092 0.000) 0.092 2.091 ( 0.000 9.199 0.000) 9.199 2.123 ( 0.000 1.483 0.000) 1.483 2.161 ( 0.000 1.919 0.000) 1.919 2.214 ( 0.000 0.139 0.000) 0.139 2.227 ( 0.000 -2.050 0.000) 2.050 2.243 ( 0.000 -1.793 0.000) 1.793 2.280 ( 0.000 1.778 0.000) 1.778 2.310 ( 0.000 0.043 0.000) 0.043 2.314 ( 0.000 -0.222 0.000) 0.222 2.331 ( 0.000 -5.382 0.000) 5.382 2.381 ( 0.000 3.680 0.000) 3.680 2.397 ( 0.000 4.724 0.000) 4.724 2.404 ( 0.000 0.653 0.000) 0.653 2.435 ( 0.000 -1.679 0.000) 1.679 2.458 ( 0.000 -0.557 0.000) 0.557 2.482 ( 0.000 -1.222 0.000) 1.222 2.527 ( 0.000 1.599 0.000) 1.599 2.542 ( 0.000 0.073 0.000) 0.073 2.581 ( 0.000 3.264 0.000) 3.264 2.623 ( 0.000 0.776 0.000) 0.776 2.641 ( 0.000 -2.009 0.000) 2.009 2.660 ( 0.000 -3.211 0.000) 3.211 2.716 ( 0.000 14.182 0.000) 14.182 2.719 ( 0.000 2.746 0.000) 2.746 2.760 ( 0.000 -0.560 0.000) 0.560 2.999 ( 0.000 -13.487 0.000) 13.487 3.028 ( 0.000 3.110 0.000) 3.110 3.075 ( 0.000 -0.766 0.000) 0.766 3.121 ( 0.000 -0.550 0.000) 0.550 3.161 ( 0.000 -3.761 0.000) 3.761 3.371 ( 0.000 4.341 0.000) 4.341 3.433 ( 0.000 -3.200 0.000) 3.200 3.481 ( 0.000 0.527 0.000) 0.527 3.488 ( 0.000 -0.187 0.000) 0.187 3.502 ( 0.000 1.710 0.000) 1.710 3.535 ( 0.000 -1.074 0.000) 1.074 3.716 ( 0.000 0.821 0.000) 0.821 3.720 ( 0.000 0.458 0.000) 0.458 4.698 ( 0.000 -0.233 0.000) 0.233 4.699 ( 0.000 -0.536 0.000) 0.536 4.742 ( 0.000 1.404 0.000) 1.404 4.760 ( 0.000 -0.631 0.000) 0.631 4.950 ( 0.000 0.963 0.000) 0.963 4.976 ( 0.000 -1.920 0.000) 1.920 5.140 ( 0.000 2.673 0.000) 2.673 5.171 ( 0.000 -0.681 0.000) 0.681 5.203 ( 0.000 0.523 0.000) 0.523 5.220 ( 0.000 -1.524 0.000) 1.524 5.281 ( 0.000 0.998 0.000) 0.998 5.304 ( 0.000 -1.528 0.000) 1.528 5.369 ( 0.000 0.660 0.000) 0.660 5.374 ( 0.000 0.063 0.000) 0.063 5.435 ( 0.000 2.304 0.000) 2.304 5.475 ( 0.000 -1.738 0.000) 1.738 5.521 ( 0.000 1.471 0.000) 1.471 5.558 ( 0.000 -2.419 0.000) 2.419 5.705 ( 0.000 0.821 0.000) 0.821 5.728 ( 0.000 -1.725 0.000) 1.725 5.856 ( 0.000 -0.278 0.000) 0.278 5.860 ( 0.000 -0.427 0.000) 0.427 5.914 ( 0.000 0.915 0.000) 0.915 5.924 ( 0.000 -0.380 0.000) 0.380 6.134 ( 0.000 5.807 0.000) 5.807 6.236 ( 0.000 -5.252 0.000) 5.252 6.471 ( 0.000 1.597 0.000) 1.597 6.494 ( 0.000 -0.930 0.000) 0.930 7.585 ( 0.000 0.363 0.000) 0.363 7.591 ( 0.000 0.447 0.000) 0.447 7.593 ( 0.000 -0.487 0.000) 0.487 7.598 ( 0.000 -0.323 0.000) 0.323 8.035 ( 0.000 0.293 0.000) 0.293 8.043 ( 0.000 -0.569 0.000) 0.569 8.049 ( 0.000 0.394 0.000) 0.394 8.054 ( 0.000 -0.119 0.000) 0.119 8.098 ( 0.000 0.452 0.000) 0.452 8.107 ( 0.000 -0.518 0.000) 0.518 8.332 ( 0.000 0.396 0.000) 0.396 8.340 ( 0.000 -0.361 0.000) 0.361 8.532 ( 0.000 0.933 0.000) 0.933 8.552 ( 0.000 -1.318 0.000) 1.318 8.613 ( 0.000 0.908 0.000) 0.908 8.626 ( 0.000 -0.519 0.000) 0.519 8.909 ( 0.000 0.025 0.000) 0.025 8.909 ( 0.000 -0.028 0.000) 0.028 8.974 ( 0.000 0.023 0.000) 0.023 8.974 ( 0.000 -0.029 0.000) 0.029 9.307 ( 0.000 0.024 0.000) 0.024 9.309 ( 0.000 -0.127 0.000) 0.127 9.333 ( 0.000 0.777 0.000) 0.777 9.347 ( 0.000 -0.662 0.000) 0.662 ======================= Grid point 8 (6/50) ======================= q-point: ( 0.14 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.480 ( 11.515 13.815 2.781) 18.199 0.628 ( 25.465 9.848 -6.684) 28.109 0.813 ( 10.107 -16.171 -3.862) 19.457 0.876 ( 6.767 -21.607 -10.149) 24.813 1.080 ( 19.776 27.781 19.261) 39.164 1.323 ( 6.516 13.767 -4.709) 15.943 1.500 ( 1.209 -5.730 -0.512) 5.878 1.554 ( 9.985 -19.111 8.958) 23.349 1.677 ( 1.734 3.376 -1.217) 3.986 1.746 ( -0.183 5.503 1.243) 5.644 1.801 ( -0.969 -2.453 1.872) 3.234 1.831 ( -0.530 -3.391 1.846) 3.897 1.851 ( -1.599 -0.159 -0.558) 1.701 1.911 ( -1.060 -0.724 3.220) 3.467 1.956 ( -1.050 -3.227 1.468) 3.697 1.977 ( -1.103 -3.757 -1.879) 4.343 2.013 ( -0.681 -1.200 -0.045) 1.380 2.042 ( -1.560 -1.542 2.499) 3.325 2.095 ( 1.356 5.925 0.229) 6.082 2.123 ( -0.263 2.015 -1.471) 2.508 2.153 ( -2.488 -0.533 -0.453) 2.585 2.182 ( -0.907 1.405 -3.259) 3.663 2.189 ( -1.215 -3.192 0.817) 3.512 2.247 ( -1.831 -0.190 -0.246) 1.857 2.251 ( -1.650 -0.345 -1.374) 2.174 2.257 ( 0.013 -2.775 -2.186) 3.532 2.304 ( -0.533 -1.339 -0.145) 1.448 2.324 ( -0.275 -1.119 -0.131) 1.160 2.370 ( -1.385 2.984 -0.456) 3.322 2.413 ( -1.085 -1.276 -0.330) 1.707 2.413 ( 0.253 1.810 -2.718) 3.275 2.436 ( 1.058 0.643 -0.802) 1.475 2.448 ( 1.795 2.448 -1.336) 3.317 2.510 ( 1.816 -2.847 1.988) 3.919 2.547 ( -0.675 0.367 2.344) 2.467 2.552 ( -0.339 0.079 1.994) 2.025 2.619 ( 3.020 3.828 1.668) 5.154 2.642 ( 0.677 0.736 3.170) 3.324 2.667 ( 1.323 -1.655 1.904) 2.848 2.691 ( 1.545 -3.668 1.274) 4.179 2.723 ( 1.368 5.215 -0.501) 5.415 2.741 ( 1.700 8.146 0.699) 8.351 2.766 ( 1.836 3.400 -1.687) 4.216 2.995 ( 1.916 -10.930 0.517) 11.109 3.080 ( -0.018 2.919 0.217) 2.927 3.143 ( 1.775 -0.360 4.088) 4.472 3.149 ( 0.886 -3.564 -0.159) 3.676 3.169 ( 2.817 -5.300 4.183) 7.316 3.354 ( -3.375 2.893 0.848) 4.526 3.383 ( -5.539 -0.547 -2.277) 6.013 3.456 ( 0.224 1.549 -1.784) 2.373 3.483 ( -1.294 1.510 2.381) 3.102 3.511 ( -0.803 -2.438 2.817) 3.811 3.524 ( -1.349 -0.947 0.953) 1.903 3.676 ( -3.325 2.990 -0.560) 4.506 3.703 ( -1.512 -0.249 -0.781) 1.720 4.705 ( -0.155 -0.049 1.450) 1.459 4.708 ( 0.149 -0.373 1.745) 1.791 4.740 ( -0.321 1.575 0.420) 1.661 4.761 ( 0.074 -0.928 0.617) 1.117 4.915 ( -0.928 6.398 -2.051) 6.782 4.989 ( -0.303 -2.524 2.094) 3.294 5.078 ( -3.621 0.719 -0.154) 3.695 5.106 ( -4.828 -1.629 -0.441) 5.115 5.190 ( -0.917 1.918 0.573) 2.202 5.227 ( -0.154 -2.024 0.619) 2.122 5.290 ( -1.223 2.318 0.693) 2.711 5.309 ( 0.784 1.383 1.128) 1.949 5.341 ( -0.759 1.665 -0.023) 1.830 5.384 ( 0.028 -1.725 0.843) 1.920 5.422 ( -1.456 2.039 3.687) 4.458 5.470 ( -3.301 -2.848 2.642) 5.098 5.518 ( 0.159 1.280 -0.472) 1.373 5.560 ( 0.388 -2.496 -0.682) 2.617 5.664 ( -3.455 2.895 -1.124) 4.645 5.699 ( -1.577 -1.290 1.003) 2.271 5.866 ( 2.918 -0.143 -5.437) 6.172 5.880 ( 3.083 -1.345 -5.623) 6.552 5.935 ( 1.568 0.471 -0.561) 1.730 5.942 ( 0.755 -0.203 1.255) 1.479 6.093 ( -3.410 6.133 -3.227) 7.724 6.178 ( -4.551 2.307 -7.683) 9.223 6.223 ( -4.860 2.813 -6.377) 8.497 6.309 ( -9.375 -2.145 -8.102) 12.575 7.537 ( -0.547 1.196 -0.519) 1.414 7.558 ( -1.141 -1.198 -0.947) 1.906 7.596 ( 0.313 1.113 -2.276) 2.552 7.615 ( 1.356 -1.032 -5.022) 5.303 8.008 ( 0.083 1.299 -1.776) 2.202 8.025 ( -0.077 -0.509 -2.305) 2.362 8.044 ( -0.065 0.235 -1.135) 1.161 8.049 ( 0.109 -0.161 -0.880) 0.901 8.124 ( -1.310 0.438 5.103) 5.287 8.136 ( -0.527 -0.808 4.390) 4.495 8.325 ( -1.488 0.917 1.033) 2.031 8.333 ( -0.751 -0.129 0.881) 1.164 8.425 ( -0.735 3.997 -1.573) 4.358 8.505 ( -2.338 -4.496 -2.726) 5.754 8.669 ( 4.674 2.505 0.614) 5.339 8.709 ( 3.969 -1.952 -1.151) 4.571 8.965 ( 1.464 0.947 0.402) 1.789 8.982 ( 0.916 -0.933 1.328) 1.863 9.047 ( 5.035 3.037 5.623) 8.136 9.127 ( 4.935 -5.731 6.036) 9.677 9.299 ( -1.490 1.162 0.155) 1.896 9.316 ( 0.140 -0.721 -0.526) 0.904 9.378 ( 2.253 2.228 7.984) 8.590 9.460 ( 0.654 -8.463 17.432) 19.389 ======================= Grid point 9 (7/50) ======================= q-point: ( 0.29 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( 18.003 -2.784 9.919) 20.743 0.921 ( 10.999 -11.647 0.763) 16.038 1.049 ( 22.851 4.303 -3.506) 23.515 1.143 ( 19.385 -6.528 -6.120) 21.350 1.410 ( 6.834 9.989 -4.383) 12.872 1.503 ( 5.943 3.982 -5.378) 8.950 1.563 ( 15.100 14.456 12.817) 24.521 1.666 ( -3.102 0.740 -1.620) 3.577 1.701 ( -4.163 0.582 2.877) 5.094 1.759 ( 0.495 -1.137 0.398) 1.302 1.777 ( -0.308 -5.476 1.506) 5.688 1.813 ( -2.388 -0.875 -0.214) 2.553 1.879 ( 3.157 2.065 0.994) 3.901 1.892 ( -2.899 3.218 0.027) 4.331 1.949 ( -2.350 -1.615 2.997) 4.137 1.962 ( -0.272 -2.665 2.892) 3.942 1.981 ( -4.690 -4.349 0.165) 6.398 2.034 ( 2.773 -8.794 0.276) 9.225 2.085 ( -1.432 0.884 -1.424) 2.204 2.115 ( 0.395 -0.581 -0.316) 0.771 2.126 ( 0.395 0.348 -2.304) 2.363 2.162 ( 0.104 2.522 3.484) 4.302 2.175 ( -3.971 -0.111 -1.596) 4.281 2.195 ( -1.501 -1.208 -1.322) 2.337 2.230 ( -1.112 -3.525 0.766) 3.775 2.258 ( 3.701 -6.319 1.296) 7.437 2.291 ( 0.516 3.030 0.861) 3.192 2.320 ( 0.607 -0.230 -2.769) 2.844 2.359 ( 0.537 3.144 0.190) 3.195 2.386 ( -0.616 0.411 -2.325) 2.440 2.410 ( 0.181 -0.383 1.529) 1.586 2.442 ( 0.148 -2.182 0.750) 2.312 2.497 ( 2.718 2.420 -0.869) 3.741 2.525 ( -0.815 0.851 1.457) 1.874 2.564 ( 0.286 -0.301 3.754) 3.777 2.579 ( 1.639 -2.495 2.011) 3.600 2.668 ( 0.596 2.641 2.250) 3.520 2.690 ( 1.315 0.808 3.640) 3.953 2.705 ( 0.642 -1.951 2.731) 3.417 2.719 ( 1.459 -0.817 -0.356) 1.709 2.746 ( 1.776 0.362 -2.049) 2.736 2.757 ( 1.164 -0.209 -0.804) 1.431 2.856 ( 6.422 13.186 2.787) 14.929 3.056 ( 3.668 -7.475 -0.020) 8.326 3.083 ( 0.600 0.818 1.175) 1.552 3.131 ( -1.147 -2.113 0.906) 2.569 3.157 ( -6.855 0.753 -2.985) 7.515 3.188 ( -5.426 -1.886 -0.779) 5.797 3.258 ( -4.482 0.264 1.267) 4.665 3.262 ( -2.590 -0.492 1.230) 2.909 3.436 ( -1.255 3.268 -0.634) 3.558 3.470 ( -3.742 -0.017 -0.121) 3.744 3.513 ( -0.390 -0.905 2.787) 2.956 3.522 ( -0.025 -1.975 2.751) 3.386 3.617 ( -1.866 3.114 -1.169) 3.814 3.657 ( -2.189 -1.342 -1.791) 3.130 4.713 ( -0.294 0.166 1.429) 1.468 4.717 ( -0.210 -0.209 0.782) 0.836 4.743 ( 0.068 1.609 1.243) 2.035 4.769 ( 0.120 -1.377 0.569) 1.494 4.917 ( 1.584 5.239 0.009) 5.473 4.991 ( -0.833 -1.589 1.191) 2.154 5.028 ( -3.194 -0.704 0.587) 3.323 5.047 ( 0.159 -2.987 -0.711) 3.075 5.176 ( -1.502 2.336 0.890) 2.916 5.224 ( -0.607 -2.723 0.477) 2.830 5.279 ( -0.333 1.740 1.006) 2.037 5.308 ( -0.685 -1.572 0.185) 1.725 5.351 ( 0.347 2.636 0.563) 2.718 5.384 ( -1.221 -1.094 0.926) 1.883 5.413 ( -2.139 0.576 2.051) 3.019 5.427 ( -2.469 -0.770 1.643) 3.064 5.510 ( -0.891 2.406 0.151) 2.570 5.562 ( 0.215 -2.068 -0.170) 2.086 5.604 ( -1.850 3.757 -1.334) 4.395 5.683 ( -0.827 -4.174 0.667) 4.307 5.860 ( 0.896 0.988 -5.835) 5.986 5.880 ( 0.402 -1.126 -6.085) 6.202 5.914 ( -1.759 1.269 1.172) 2.466 5.948 ( -1.999 -1.443 1.359) 2.816 6.051 ( 1.244 1.255 -2.762) 3.279 6.069 ( -0.673 -0.024 -6.082) 6.120 6.121 ( -2.054 3.193 -2.944) 4.804 6.177 ( -2.966 -2.193 -2.222) 4.307 7.535 ( 0.231 0.371 -0.305) 0.533 7.545 ( 0.151 -0.759 -0.561) 0.956 7.580 ( -0.331 0.826 -1.535) 1.775 7.591 ( -0.531 -0.462 -2.568) 2.663 8.005 ( 0.493 0.536 -1.007) 1.243 8.014 ( 0.229 -0.477 -1.270) 1.376 8.036 ( 0.261 0.689 -0.951) 1.203 8.047 ( 0.269 -0.414 -0.647) 0.814 8.130 ( -1.163 0.477 3.055) 3.303 8.142 ( -1.445 -0.719 2.602) 3.062 8.304 ( -1.696 0.767 1.458) 2.364 8.316 ( -1.622 -0.572 0.788) 1.892 8.433 ( 1.381 1.922 0.286) 2.384 8.473 ( -0.136 -2.269 -0.369) 2.303 8.759 ( 3.836 0.883 1.240) 4.127 8.773 ( 3.053 -0.574 0.649) 3.174 8.979 ( 0.222 0.994 0.089) 1.022 9.004 ( 0.377 -1.824 0.722) 1.997 9.144 ( 2.051 3.576 1.620) 4.429 9.202 ( 0.865 -2.936 1.154) 3.271 9.292 ( 0.813 2.690 1.750) 3.311 9.333 ( 2.084 -1.774 0.943) 2.895 9.474 ( 0.993 2.651 7.525) 8.040 9.545 ( -2.004 -4.992 9.926) 11.289 ======================= Grid point 10 (8/50) ======================= q-point: ( 0.43 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( 11.464 -2.581 3.038) 12.137 1.188 ( 11.449 -4.846 5.897) 13.760 1.359 ( 10.253 2.217 -0.517) 10.503 1.383 ( 8.328 -0.546 -2.160) 8.621 1.510 ( 8.137 7.494 -3.771) 11.687 1.542 ( -6.713 4.008 1.042) 7.888 1.594 ( -1.666 -3.338 -1.098) 3.889 1.621 ( 1.579 -1.467 -2.918) 3.628 1.684 ( -3.962 -0.328 -0.212) 3.981 1.703 ( -0.617 -1.223 2.746) 3.069 1.759 ( -6.106 2.458 -2.873) 7.182 1.776 ( -0.033 0.086 -3.554) 3.555 1.861 ( -2.034 -0.056 -0.994) 2.265 1.888 ( -0.911 -2.823 0.222) 2.975 1.939 ( -1.264 5.404 5.353) 7.711 1.967 ( 1.959 2.752 2.613) 4.271 2.005 ( -0.914 -2.329 1.500) 2.917 2.044 ( -0.617 0.531 -3.043) 3.150 2.076 ( 1.238 1.276 0.467) 1.838 2.092 ( -1.451 -2.759 1.839) 3.619 2.106 ( -0.501 -2.656 -0.626) 2.774 2.136 ( -0.038 -5.521 -0.299) 5.530 2.145 ( -1.364 0.779 -2.858) 3.261 2.186 ( 0.367 -3.063 0.785) 3.184 2.291 ( 4.721 4.074 3.751) 7.277 2.301 ( 0.578 2.673 -0.646) 2.810 2.318 ( 1.636 0.761 -3.345) 3.800 2.352 ( -2.315 0.155 2.435) 3.364 2.360 ( 0.719 3.521 0.547) 3.635 2.393 ( 4.905 -1.185 0.852) 5.117 2.450 ( -0.416 -2.192 1.404) 2.636 2.472 ( 2.852 -4.547 1.971) 5.718 2.537 ( 3.399 1.615 -0.443) 3.789 2.555 ( 3.007 1.046 1.812) 3.663 2.593 ( -0.109 1.098 2.033) 2.313 2.638 ( 3.816 -4.568 1.362) 6.106 2.678 ( -2.134 2.314 1.986) 3.722 2.721 ( -0.138 0.003 1.463) 1.469 2.725 ( 0.021 -1.091 1.251) 1.660 2.733 ( -0.325 -1.773 -0.347) 1.836 2.766 ( 1.068 0.799 0.016) 1.334 2.778 ( 2.915 0.233 -0.777) 3.026 2.894 ( -9.402 2.231 -3.052) 10.134 2.947 ( -8.371 -1.787 -2.961) 9.058 3.037 ( 1.384 5.553 0.506) 5.745 3.119 ( 1.815 0.434 0.657) 1.978 3.136 ( 0.988 -0.972 1.758) 2.239 3.157 ( 3.460 -4.006 -0.547) 5.321 3.204 ( -3.654 2.315 -0.465) 4.350 3.248 ( -1.683 -2.573 0.767) 3.169 3.383 ( -3.293 1.890 -1.195) 3.981 3.405 ( -1.361 -0.302 -0.435) 1.460 3.517 ( -0.537 1.490 1.267) 2.028 3.548 ( 0.230 -1.835 1.893) 2.647 3.596 ( -0.132 1.006 -0.044) 1.016 3.611 ( -1.010 -0.680 -1.989) 2.332 4.707 ( -0.474 0.780 0.112) 0.919 4.722 ( 0.036 -0.858 0.334) 0.921 4.760 ( 0.447 0.762 1.409) 1.663 4.772 ( -0.000 -0.508 -0.318) 0.600 4.944 ( 0.829 1.602 -0.191) 1.813 4.971 ( -1.260 -1.459 0.444) 1.978 5.023 ( 1.097 1.305 1.134) 2.048 5.053 ( 0.550 -1.789 -0.465) 1.929 5.143 ( -2.072 3.251 -0.044) 3.855 5.215 ( -0.672 -4.634 0.523) 4.711 5.294 ( 1.092 0.524 0.669) 1.384 5.306 ( 0.176 -0.975 0.281) 1.029 5.342 ( -0.973 0.917 -0.208) 1.353 5.355 ( -1.783 -0.472 0.213) 1.857 5.382 ( -1.670 1.304 0.337) 2.146 5.410 ( -0.359 -1.620 0.221) 1.674 5.503 ( -0.062 4.231 0.259) 4.240 5.567 ( 0.280 -1.321 0.320) 1.388 5.579 ( -0.455 3.843 -0.462) 3.897 5.684 ( 0.249 -5.952 0.635) 5.991 5.824 ( -0.457 0.386 -2.887) 2.948 5.829 ( -1.192 -0.145 -1.929) 2.272 5.907 ( -0.420 0.240 0.191) 0.521 5.921 ( -0.867 -0.975 0.283) 1.335 6.046 ( 1.417 3.753 -2.708) 4.840 6.076 ( 0.507 0.252 -0.605) 0.828 6.089 ( 0.849 0.274 -1.597) 1.829 6.125 ( -2.383 -2.246 0.832) 3.379 7.534 ( -0.059 0.817 -0.133) 0.830 7.549 ( 0.297 -0.709 0.144) 0.782 7.566 ( -0.510 0.018 -1.097) 1.210 7.568 ( -0.094 -0.103 -0.557) 0.574 8.008 ( 0.331 0.030 -0.403) 0.522 8.010 ( 0.047 -0.286 -0.481) 0.561 8.039 ( 0.377 0.646 -0.282) 0.799 8.047 ( 0.144 -0.305 -0.234) 0.411 8.130 ( -0.467 0.057 1.005) 1.110 8.132 ( -0.857 -0.115 0.982) 1.308 8.290 ( -0.608 0.294 0.816) 1.059 8.296 ( -0.825 -0.300 0.204) 0.901 8.461 ( 1.006 0.667 0.392) 1.269 8.474 ( -0.029 -0.762 0.126) 0.773 8.815 ( 1.390 0.332 0.565) 1.537 8.819 ( 1.268 -0.176 0.505) 1.376 8.980 ( -0.040 1.150 0.057) 1.152 9.009 ( -0.020 -2.082 0.192) 2.091 9.162 ( 0.068 2.718 0.082) 2.721 9.202 ( -0.332 -1.713 -0.114) 1.748 9.332 ( 1.202 2.859 1.159) 3.311 9.386 ( 1.990 -2.930 0.719) 3.614 9.520 ( 0.040 1.882 2.660) 3.259 9.558 ( -1.476 -2.187 3.284) 4.213 ======================= Grid point 21 (9/50) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.530 ( 6.561 0.000 25.607) 26.434 0.538 ( -6.205 0.000 26.002) 26.732 0.732 ( 0.863 0.000 35.277) 35.288 1.100 ( -10.230 0.000 7.605) 12.747 1.102 ( -8.477 0.000 11.087) 13.956 1.236 ( -5.676 0.000 -2.032) 6.029 1.316 ( -9.682 0.000 -7.656) 12.343 1.656 ( 5.061 0.000 1.977) 5.434 1.716 ( 1.257 0.000 2.256) 2.583 1.807 ( 1.774 0.000 2.100) 2.749 1.854 ( -2.891 0.000 5.378) 6.105 1.918 ( -1.135 0.000 1.790) 2.119 1.923 ( 3.747 0.000 0.202) 3.752 1.958 ( -1.766 0.000 -2.209) 2.828 1.959 ( 0.137 0.000 1.830) 1.835 1.989 ( 1.421 0.000 -2.227) 2.642 2.022 ( -0.403 0.000 0.606) 0.727 2.050 ( 1.303 0.000 2.386) 2.719 2.052 ( 2.100 0.000 -1.604) 2.643 2.131 ( 0.026 0.000 -1.270) 1.270 2.160 ( -0.589 0.000 -0.324) 0.672 2.163 ( 3.277 0.000 0.826) 3.379 2.206 ( -0.783 0.000 -3.183) 3.278 2.233 ( -1.124 0.000 1.554) 1.918 2.252 ( -0.695 0.000 0.787) 1.050 2.268 ( 0.819 0.000 2.156) 2.307 2.309 ( -0.017 0.000 -1.401) 1.401 2.326 ( -2.643 0.000 -0.387) 2.671 2.366 ( 0.318 0.000 -1.729) 1.758 2.385 ( 4.121 0.000 -3.419) 5.354 2.427 ( -2.629 0.000 -3.488) 4.368 2.428 ( -0.454 0.000 2.474) 2.516 2.445 ( -1.257 0.000 2.600) 2.888 2.463 ( -0.231 0.000 1.177) 1.199 2.516 ( 2.011 0.000 1.566) 2.549 2.566 ( 1.856 0.000 0.814) 2.027 2.573 ( 2.422 0.000 -0.470) 2.467 2.578 ( 2.150 0.000 1.566) 2.660 2.659 ( 1.763 0.000 -0.293) 1.787 2.683 ( -2.826 0.000 -0.463) 2.863 2.692 ( -0.304 0.000 5.255) 5.263 2.730 ( 1.625 0.000 0.447) 1.686 2.751 ( -0.956 0.000 -0.508) 1.083 3.035 ( 9.324 0.000 1.540) 9.451 3.081 ( -1.322 0.000 1.473) 1.980 3.121 ( -0.188 0.000 1.187) 1.202 3.128 ( 2.702 0.000 0.351) 2.725 3.222 ( -0.670 0.000 1.627) 1.760 3.314 ( 3.546 0.000 0.217) 3.552 3.384 ( 0.838 0.000 -4.355) 4.435 3.440 ( -2.245 0.000 -3.961) 4.553 3.503 ( 1.249 0.000 -1.204) 1.734 3.530 ( -0.483 0.000 2.071) 2.126 3.599 ( 0.815 0.000 -5.688) 5.746 3.599 ( 2.235 0.000 -0.998) 2.447 3.663 ( 1.755 0.000 -3.940) 4.313 4.645 ( 1.864 0.000 -2.722) 3.299 4.705 ( 1.370 0.000 -0.830) 1.602 4.719 ( 0.913 0.000 0.288) 0.957 4.793 ( 0.367 0.000 -3.269) 3.289 4.811 ( 0.528 0.000 3.726) 3.763 5.015 ( 6.118 0.000 -2.442) 6.587 5.115 ( -0.031 0.000 0.121) 0.125 5.120 ( 2.052 0.000 -3.776) 4.298 5.199 ( -1.014 0.000 0.378) 1.082 5.200 ( 0.005 0.000 0.672) 0.672 5.249 ( 1.420 0.000 0.505) 1.507 5.277 ( 0.909 0.000 0.768) 1.189 5.365 ( -1.426 0.000 1.144) 1.828 5.387 ( 0.778 0.000 -0.245) 0.815 5.395 ( 0.108 0.000 1.263) 1.268 5.469 ( 1.139 0.000 0.379) 1.200 5.518 ( -0.238 0.000 0.779) 0.815 5.575 ( -0.820 0.000 -0.739) 1.104 5.619 ( 4.659 0.000 -5.225) 7.000 5.623 ( -0.431 0.000 -1.036) 1.122 5.880 ( -0.622 0.000 1.120) 1.281 5.898 ( 0.495 0.000 0.180) 0.526 5.931 ( -3.296 0.000 -0.625) 3.355 6.027 ( -2.314 0.000 3.186) 3.937 6.035 ( -12.926 0.000 0.491) 12.935 6.071 ( -1.135 0.000 -0.361) 1.191 6.264 ( -1.338 0.000 -2.301) 2.662 6.414 ( -9.101 0.000 -12.026) 15.081 7.519 ( -0.080 0.000 0.091) 0.121 7.569 ( -3.265 0.000 -1.364) 3.539 7.572 ( -0.015 0.000 -1.166) 1.166 7.620 ( -3.217 0.000 -0.428) 3.245 7.985 ( -0.681 0.000 -0.321) 0.753 8.011 ( -0.154 0.000 -1.381) 1.389 8.038 ( -1.184 0.000 -1.116) 1.627 8.041 ( -0.007 0.000 -1.732) 1.732 8.219 ( -0.532 0.000 6.850) 6.870 8.319 ( 2.187 0.000 0.299) 2.207 8.321 ( -12.104 0.000 1.809) 12.238 8.343 ( 0.391 0.000 1.235) 1.295 8.413 ( -1.447 0.000 2.083) 2.536 8.556 ( -2.389 0.000 -4.373) 4.983 8.567 ( 2.968 0.000 -0.062) 2.969 8.600 ( 8.150 0.000 -0.254) 8.154 8.924 ( 2.902 0.000 1.717) 3.372 8.996 ( 2.294 0.000 2.014) 3.053 9.006 ( 0.792 0.000 1.863) 2.024 9.178 ( 1.836 0.000 1.193) 2.189 9.210 ( 6.902 0.000 -1.928) 7.167 9.291 ( 1.603 0.000 -1.590) 2.257 9.405 ( 3.199 0.000 7.990) 8.607 9.657 ( 16.277 0.000 1.112) 16.315 ======================= Grid point 22 (10/50) ======================= q-point: ( 0.14 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.661 ( 7.807 0.000 17.556) 19.213 0.902 ( 12.966 0.000 20.952) 24.640 1.067 ( 3.092 0.000 2.108) 3.743 1.088 ( -0.039 0.000 8.307) 8.307 1.113 ( -2.642 0.000 -3.600) 4.465 1.155 ( -0.804 0.000 0.089) 0.809 1.256 ( 17.468 0.000 25.240) 30.695 1.737 ( 0.840 0.000 -2.663) 2.792 1.761 ( 3.740 0.000 3.036) 4.817 1.808 ( -0.625 0.000 -0.949) 1.136 1.815 ( -3.693 0.000 1.633) 4.038 1.845 ( -6.331 0.000 2.479) 6.799 1.904 ( -0.937 0.000 -4.572) 4.667 1.914 ( -3.574 0.000 -2.021) 4.105 1.987 ( 1.832 0.000 -4.944) 5.273 1.991 ( 0.188 0.000 -0.584) 0.613 2.014 ( -2.282 0.000 1.827) 2.924 2.097 ( -0.506 0.000 -0.142) 0.526 2.098 ( -1.720 0.000 0.224) 1.735 2.124 ( -1.688 0.000 -1.913) 2.551 2.143 ( -1.562 0.000 -4.301) 4.576 2.147 ( 4.088 0.000 1.981) 4.542 2.195 ( -0.467 0.000 -3.184) 3.218 2.246 ( -0.519 0.000 -0.274) 0.587 2.267 ( -2.250 0.000 0.873) 2.413 2.281 ( 3.131 0.000 -1.915) 3.670 2.293 ( -0.383 0.000 3.077) 3.101 2.326 ( -1.217 0.000 0.745) 1.427 2.368 ( -3.551 0.000 -0.564) 3.595 2.370 ( 1.073 0.000 -0.380) 1.139 2.385 ( 3.052 0.000 1.469) 3.387 2.423 ( 0.486 0.000 5.370) 5.392 2.493 ( 2.393 0.000 1.891) 3.050 2.516 ( 3.839 0.000 5.221) 6.481 2.573 ( 2.378 0.000 -0.649) 2.465 2.591 ( 2.287 0.000 0.058) 2.288 2.614 ( -1.284 0.000 1.717) 2.144 2.644 ( 2.113 0.000 1.134) 2.398 2.651 ( 3.775 0.000 2.215) 4.377 2.687 ( -1.207 0.000 -2.135) 2.452 2.708 ( 2.134 0.000 1.622) 2.680 2.769 ( 0.998 0.000 3.883) 4.009 2.770 ( 1.794 0.000 1.497) 2.337 3.074 ( -0.206 0.000 2.300) 2.310 3.124 ( -0.098 0.000 0.458) 0.468 3.149 ( 0.553 0.000 -2.891) 2.944 3.158 ( 2.671 0.000 -1.820) 3.232 3.256 ( 1.071 0.000 3.951) 4.093 3.330 ( -2.836 0.000 -3.270) 4.329 3.332 ( -6.095 0.000 -3.800) 7.182 3.381 ( 2.640 0.000 -0.472) 2.681 3.522 ( -2.864 0.000 -3.747) 4.716 3.538 ( 2.233 0.000 1.096) 2.487 3.561 ( 0.883 0.000 -0.874) 1.243 3.598 ( -1.312 0.000 -0.548) 1.422 3.653 ( 0.212 0.000 -4.414) 4.419 4.670 ( 2.543 0.000 -1.786) 3.108 4.724 ( -0.322 0.000 -1.050) 1.098 4.724 ( 1.142 0.000 -0.086) 1.145 4.761 ( -0.166 0.000 -3.681) 3.684 4.859 ( 1.403 0.000 3.401) 3.679 5.044 ( 1.187 0.000 -3.251) 3.461 5.078 ( -2.980 0.000 0.777) 3.079 5.085 ( -1.825 0.000 -3.591) 4.028 5.197 ( -1.303 0.000 0.436) 1.374 5.218 ( 1.618 0.000 1.619) 2.289 5.277 ( 0.975 0.000 0.578) 1.133 5.303 ( 0.906 0.000 1.537) 1.784 5.345 ( -1.581 0.000 0.996) 1.869 5.411 ( 1.219 0.000 0.237) 1.242 5.447 ( 3.701 0.000 -3.319) 4.972 5.486 ( -1.260 0.000 2.183) 2.521 5.496 ( -2.330 0.000 0.495) 2.382 5.566 ( -3.285 0.000 -1.590) 3.649 5.570 ( 0.730 0.000 0.366) 0.817 5.663 ( 3.555 0.000 -4.766) 5.946 5.831 ( -3.174 0.000 1.294) 3.427 5.879 ( -3.278 0.000 -2.326) 4.019 5.916 ( -1.869 0.000 3.988) 4.404 5.951 ( 3.059 0.000 -0.892) 3.186 6.002 ( -2.054 0.000 1.209) 2.384 6.083 ( 0.617 0.000 1.088) 1.251 6.145 ( -9.530 0.000 -7.204) 11.947 6.225 ( -1.082 0.000 -0.996) 1.470 7.521 ( 0.270 0.000 -0.143) 0.305 7.535 ( -0.247 0.000 -0.736) 0.776 7.557 ( -0.396 0.000 -1.451) 1.504 7.584 ( -1.039 0.000 -0.525) 1.164 7.976 ( 0.275 0.000 -0.979) 1.017 8.008 ( 0.470 0.000 -0.051) 0.473 8.010 ( -0.500 0.000 -1.689) 1.761 8.038 ( 0.586 0.000 -0.922) 1.092 8.203 ( -3.244 0.000 2.997) 4.417 8.236 ( -3.844 0.000 3.839) 5.433 8.346 ( -0.841 0.000 1.984) 2.155 8.372 ( 0.431 0.000 2.176) 2.218 8.401 ( -0.471 0.000 1.525) 1.596 8.498 ( -0.902 0.000 -1.694) 1.919 8.669 ( 6.113 0.000 1.053) 6.202 8.706 ( 4.955 0.000 -0.732) 5.009 8.968 ( 0.788 0.000 1.127) 1.376 9.035 ( 0.667 0.000 1.089) 1.277 9.062 ( 2.820 0.000 1.061) 3.013 9.230 ( 2.527 0.000 1.390) 2.884 9.231 ( 0.607 0.000 -3.872) 3.919 9.303 ( 1.276 0.000 -0.541) 1.386 9.515 ( 1.633 0.000 7.009) 7.197 9.759 ( -1.289 0.000 0.093) 1.293 ======================= Grid point 23 (11/50) ======================= q-point: ( 0.29 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( 16.452 0.000 7.336) 18.013 1.102 ( 4.744 0.000 0.647) 4.788 1.209 ( 9.942 0.000 -3.249) 10.459 1.226 ( 8.463 0.000 4.359) 9.519 1.242 ( 10.918 0.000 2.699) 11.246 1.271 ( 11.326 0.000 15.308) 19.042 1.644 ( -0.517 0.000 4.283) 4.314 1.720 ( -2.597 0.000 3.726) 4.541 1.725 ( 0.938 0.000 -4.757) 4.848 1.755 ( -3.719 0.000 -4.150) 5.573 1.798 ( -5.816 0.000 -2.882) 6.491 1.801 ( 0.118 0.000 4.273) 4.275 1.845 ( -0.747 0.000 -3.110) 3.199 1.865 ( 2.750 0.000 -1.347) 3.062 1.966 ( -0.204 0.000 -4.950) 4.954 1.978 ( -1.369 0.000 3.557) 3.812 2.002 ( 1.562 0.000 -2.748) 3.161 2.026 ( -1.540 0.000 2.092) 2.598 2.048 ( -2.789 0.000 -5.240) 5.936 2.073 ( -1.900 0.000 -0.585) 1.988 2.127 ( -1.674 0.000 -1.521) 2.262 2.148 ( -0.542 0.000 -5.049) 5.078 2.175 ( 2.544 0.000 3.684) 4.477 2.227 ( -4.351 0.000 2.475) 5.006 2.244 ( 0.370 0.000 0.931) 1.002 2.261 ( 0.159 0.000 -4.291) 4.294 2.280 ( -0.598 0.000 -0.407) 0.723 2.326 ( 2.570 0.000 -1.987) 3.249 2.334 ( -2.843 0.000 0.122) 2.846 2.390 ( 2.360 0.000 -2.205) 3.229 2.464 ( -0.246 0.000 0.573) 0.624 2.499 ( 2.241 0.000 3.638) 4.273 2.544 ( -2.674 0.000 1.005) 2.856 2.579 ( 3.509 0.000 4.844) 5.982 2.594 ( 1.049 0.000 -0.966) 1.426 2.619 ( 1.286 0.000 -6.980) 7.097 2.630 ( 2.591 0.000 2.238) 3.423 2.659 ( 1.200 0.000 0.782) 1.432 2.739 ( 2.392 0.000 1.812) 3.000 2.770 ( 3.529 0.000 5.187) 6.273 2.774 ( 3.809 0.000 7.042) 8.006 2.811 ( 2.143 0.000 2.794) 3.521 2.812 ( 1.048 0.000 2.772) 2.963 3.069 ( -10.061 0.000 -2.642) 10.402 3.113 ( 0.673 0.000 2.919) 2.995 3.143 ( 2.204 0.000 2.637) 3.437 3.146 ( 0.185 0.000 -1.232) 1.246 3.208 ( -3.419 0.000 -4.125) 5.358 3.222 ( -6.190 0.000 -2.901) 6.836 3.273 ( -1.289 0.000 2.614) 2.914 3.394 ( -2.225 0.000 -6.846) 7.198 3.419 ( -1.509 0.000 -0.153) 1.517 3.554 ( -2.291 0.000 -0.424) 2.330 3.589 ( 1.008 0.000 1.704) 1.980 3.589 ( 0.858 0.000 2.823) 2.950 3.605 ( -1.321 0.000 -4.844) 5.021 4.687 ( 0.058 0.000 -2.780) 2.781 4.710 ( 1.047 0.000 -1.069) 1.496 4.735 ( 0.598 0.000 -3.745) 3.792 4.749 ( 1.221 0.000 -0.096) 1.224 4.899 ( 1.068 0.000 0.700) 1.277 5.033 ( -1.676 0.000 -0.749) 1.836 5.041 ( 0.406 0.000 -0.605) 0.728 5.047 ( -0.826 0.000 -0.179) 0.845 5.157 ( -3.036 0.000 -0.626) 3.099 5.263 ( 1.888 0.000 1.417) 2.361 5.282 ( -0.851 0.000 -0.757) 1.139 5.324 ( 0.059 0.000 0.623) 0.625 5.327 ( -0.516 0.000 0.343) 0.619 5.401 ( -2.521 0.000 0.213) 2.530 5.420 ( -2.644 0.000 -3.254) 4.192 5.458 ( -1.914 0.000 0.654) 2.022 5.478 ( -0.594 0.000 1.153) 1.297 5.520 ( -0.845 0.000 -0.581) 1.025 5.593 ( 0.614 0.000 0.630) 0.879 5.682 ( 2.750 0.000 -5.305) 5.975 5.805 ( -1.159 0.000 -3.645) 3.825 5.805 ( -0.272 0.000 0.650) 0.705 5.903 ( -1.938 0.000 0.347) 1.969 5.931 ( -2.740 0.000 -2.419) 3.655 6.022 ( -0.745 0.000 1.401) 1.587 6.031 ( 2.989 0.000 1.673) 3.426 6.120 ( -0.247 0.000 4.532) 4.539 6.216 ( -0.955 0.000 2.907) 3.060 7.520 ( -0.119 0.000 -0.889) 0.896 7.535 ( 0.723 0.000 -0.618) 0.951 7.548 ( 0.660 0.000 -1.003) 1.201 7.564 ( -0.625 0.000 -0.858) 1.061 7.981 ( 1.086 0.000 -1.134) 1.570 7.999 ( 0.458 0.000 -1.224) 1.307 8.024 ( 0.797 0.000 0.837) 1.156 8.044 ( 0.529 0.000 -0.203) 0.567 8.170 ( -2.420 0.000 1.461) 2.827 8.189 ( -3.440 0.000 1.333) 3.690 8.329 ( -1.994 0.000 1.198) 2.326 8.347 ( -3.217 0.000 1.635) 3.609 8.441 ( 1.889 0.000 1.662) 2.516 8.493 ( 0.222 0.000 0.482) 0.530 8.765 ( 3.767 0.000 -0.223) 3.774 8.778 ( 3.456 0.000 -0.669) 3.521 8.978 ( -0.298 0.000 0.774) 0.829 9.042 ( -0.297 0.000 0.151) 0.333 9.096 ( 1.337 0.000 -1.698) 2.161 9.208 ( 0.073 0.000 -3.013) 3.014 9.277 ( 1.826 0.000 -0.533) 1.903 9.337 ( 2.840 0.000 -1.486) 3.206 9.553 ( -1.484 0.000 2.913) 3.269 9.700 ( -4.863 0.000 0.675) 4.909 ======================= Grid point 24 (12/50) ======================= q-point: ( 0.43 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( 8.667 0.000 4.276) 9.665 1.303 ( 10.083 0.000 3.732) 10.752 1.325 ( 0.842 0.000 -3.184) 3.293 1.402 ( 5.193 0.000 1.816) 5.502 1.446 ( 1.989 0.000 0.303) 2.012 1.521 ( 12.828 0.000 -0.069) 12.828 1.560 ( -1.024 0.000 3.465) 3.613 1.628 ( -3.463 0.000 -2.117) 4.058 1.652 ( -10.322 0.000 -2.284) 10.572 1.711 ( 2.511 0.000 1.262) 2.810 1.713 ( -2.776 0.000 -4.182) 5.020 1.764 ( 3.182 0.000 -0.221) 3.190 1.834 ( -2.151 0.000 2.839) 3.561 1.851 ( 1.567 0.000 -6.614) 6.797 1.935 ( 1.493 0.000 -6.219) 6.395 1.951 ( -2.725 0.000 -2.030) 3.398 1.972 ( -0.880 0.000 -4.912) 4.991 1.983 ( 1.528 0.000 -3.993) 4.275 2.008 ( -3.094 0.000 -1.684) 3.522 2.104 ( -1.705 0.000 -1.532) 2.292 2.132 ( 0.879 0.000 -0.630) 1.081 2.156 ( 3.780 0.000 4.674) 6.012 2.198 ( -1.769 0.000 -7.868) 8.065 2.205 ( -0.890 0.000 -0.792) 1.191 2.208 ( 1.128 0.000 1.601) 1.958 2.270 ( 1.840 0.000 1.356) 2.286 2.300 ( 0.350 0.000 -0.567) 0.666 2.300 ( 0.473 0.000 -1.022) 1.126 2.402 ( 1.504 0.000 -2.278) 2.729 2.411 ( -1.219 0.000 -1.896) 2.254 2.465 ( 1.085 0.000 -0.065) 1.087 2.505 ( -1.669 0.000 -0.883) 1.888 2.554 ( 8.732 0.000 8.059) 11.882 2.555 ( 0.185 0.000 -8.639) 8.641 2.598 ( -1.799 0.000 0.666) 1.919 2.646 ( -0.600 0.000 2.835) 2.898 2.674 ( 0.354 0.000 0.379) 0.519 2.679 ( -11.280 0.000 -0.294) 11.284 2.685 ( 0.265 0.000 1.426) 1.451 2.755 ( -0.550 0.000 -0.116) 0.563 2.830 ( -0.300 0.000 1.063) 1.104 2.880 ( 0.721 0.000 1.456) 1.625 2.940 ( -3.499 0.000 2.678) 4.406 2.955 ( 7.332 0.000 6.559) 9.838 3.006 ( -12.674 0.000 -0.385) 12.680 3.082 ( -3.210 0.000 -3.830) 4.998 3.150 ( 0.356 0.000 -2.191) 2.220 3.160 ( 0.110 0.000 0.219) 0.245 3.250 ( 2.330 0.000 7.241) 7.606 3.275 ( 0.023 0.000 0.294) 0.295 3.304 ( 0.259 0.000 -4.151) 4.160 3.407 ( -0.919 0.000 -0.231) 0.947 3.513 ( -1.782 0.000 0.075) 1.784 3.542 ( -1.007 0.000 -5.025) 5.125 3.611 ( -1.060 0.000 3.177) 3.349 3.622 ( 1.252 0.000 1.639) 2.062 4.666 ( 0.533 0.000 -2.899) 2.947 4.711 ( 0.103 0.000 -4.691) 4.692 4.718 ( 0.447 0.000 -1.419) 1.488 4.765 ( 0.763 0.000 -1.115) 1.351 4.918 ( 1.629 0.000 -0.778) 1.805 5.002 ( -2.379 0.000 0.402) 2.412 5.023 ( -1.664 0.000 -1.415) 2.185 5.060 ( 1.689 0.000 0.267) 1.709 5.106 ( -1.314 0.000 0.521) 1.414 5.240 ( -0.984 0.000 -3.635) 3.766 5.302 ( 1.507 0.000 0.259) 1.529 5.309 ( -1.271 0.000 -0.148) 1.279 5.339 ( 0.962 0.000 0.827) 1.269 5.359 ( -1.768 0.000 -0.369) 1.806 5.362 ( -1.959 0.000 -0.614) 2.053 5.433 ( -1.282 0.000 0.209) 1.299 5.475 ( -0.326 0.000 0.438) 0.546 5.507 ( -0.294 0.000 -0.411) 0.505 5.596 ( -0.353 0.000 0.075) 0.361 5.683 ( 1.565 0.000 -5.186) 5.417 5.803 ( 2.318 0.000 -0.332) 2.342 5.825 ( 1.343 0.000 -0.457) 1.419 5.883 ( 0.392 0.000 -1.024) 1.096 5.884 ( 0.251 0.000 -0.537) 0.592 6.061 ( 0.887 0.000 5.992) 6.057 6.096 ( 2.031 0.000 2.821) 3.476 6.141 ( -1.624 0.000 5.691) 5.918 6.219 ( -2.086 0.000 5.014) 5.430 7.515 ( 0.486 0.000 -0.724) 0.872 7.547 ( 0.572 0.000 -0.624) 0.847 7.555 ( 0.815 0.000 -0.279) 0.861 7.558 ( 0.892 0.000 -0.766) 1.176 7.996 ( 1.295 0.000 -0.693) 1.469 8.005 ( 0.827 0.000 -0.377) 0.909 8.042 ( 0.573 0.000 0.085) 0.580 8.057 ( 0.252 0.000 1.438) 1.459 8.133 ( -2.152 0.000 -0.034) 2.153 8.140 ( -2.155 0.000 -0.218) 2.166 8.296 ( -2.041 0.000 -0.359) 2.072 8.307 ( -1.472 0.000 0.642) 1.605 8.473 ( 0.234 0.000 1.273) 1.294 8.495 ( -0.840 0.000 1.397) 1.630 8.802 ( 1.018 0.000 -1.443) 1.766 8.811 ( 1.017 0.000 -1.445) 1.767 8.974 ( -0.373 0.000 0.275) 0.464 9.033 ( -0.450 0.000 -0.463) 0.646 9.097 ( 0.936 0.000 -3.107) 3.245 9.198 ( 0.956 0.000 -1.986) 2.204 9.279 ( 0.002 0.000 -3.505) 3.505 9.358 ( 1.683 0.000 -5.433) 5.688 9.515 ( -3.092 0.000 -1.101) 3.282 9.603 ( -5.367 0.000 -1.218) 5.503 ======================= Grid point 25 (13/50) ======================= q-point: (-0.43 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( -14.885 0.000 -7.989) 16.894 1.263 ( -14.357 0.000 -7.422) 16.162 1.312 ( -7.758 0.000 5.325) 9.409 1.363 ( -7.226 0.000 1.940) 7.482 1.476 ( 4.206 0.000 1.039) 4.332 1.565 ( 5.723 0.000 1.784) 5.994 1.627 ( -2.828 0.000 6.764) 7.331 1.649 ( -5.674 0.000 2.559) 6.224 1.662 ( 5.823 0.000 -2.608) 6.380 1.712 ( 2.516 0.000 0.136) 2.520 1.765 ( 3.485 0.000 -1.436) 3.770 1.816 ( -4.496 0.000 -3.494) 5.694 1.852 ( 1.183 0.000 -1.441) 1.864 1.865 ( 5.073 0.000 1.547) 5.303 1.869 ( 1.276 0.000 1.974) 2.350 1.902 ( 2.462 0.000 -5.932) 6.423 1.983 ( 3.311 0.000 -3.554) 4.857 1.997 ( -0.337 0.000 -1.515) 1.552 2.036 ( 3.773 0.000 -4.092) 5.566 2.057 ( 6.307 0.000 -2.698) 6.860 2.116 ( -5.820 0.000 -1.072) 5.918 2.117 ( 0.590 0.000 -1.653) 1.755 2.183 ( 2.266 0.000 -2.401) 3.302 2.235 ( -3.300 0.000 -0.417) 3.326 2.251 ( 2.027 0.000 2.055) 2.887 2.257 ( 0.435 0.000 4.672) 4.692 2.303 ( 1.376 0.000 -3.580) 3.836 2.304 ( 1.943 0.000 -2.437) 3.117 2.345 ( -1.981 0.000 0.191) 1.990 2.379 ( -1.210 0.000 -0.902) 1.510 2.454 ( -2.327 0.000 -2.281) 3.259 2.462 ( 1.444 0.000 -6.813) 6.964 2.497 ( 1.576 0.000 -10.522) 10.639 2.508 ( -2.383 0.000 1.779) 2.974 2.552 ( -4.955 0.000 -0.519) 4.982 2.634 ( -2.278 0.000 2.008) 3.036 2.674 ( -4.011 0.000 0.622) 4.059 2.698 ( -0.050 0.000 0.333) 0.337 2.734 ( -1.574 0.000 -0.519) 1.658 2.751 ( -5.086 0.000 0.923) 5.169 2.754 ( -10.564 0.000 -0.582) 10.580 2.816 ( -1.486 0.000 -0.054) 1.487 2.816 ( -2.160 0.000 1.332) 2.538 2.985 ( 9.753 0.000 5.271) 11.086 3.072 ( 2.114 0.000 -2.193) 3.046 3.076 ( 1.470 0.000 0.114) 1.474 3.163 ( 2.823 0.000 1.414) 3.157 3.172 ( 0.821 0.000 0.648) 1.046 3.245 ( -2.185 0.000 0.735) 2.305 3.267 ( -0.699 0.000 -1.209) 1.397 3.354 ( -0.115 0.000 0.509) 0.522 3.415 ( 3.224 0.000 1.424) 3.525 3.492 ( -0.452 0.000 -0.374) 0.587 3.513 ( 1.829 0.000 -4.078) 4.469 3.600 ( -2.352 0.000 2.653) 3.546 3.655 ( 1.109 0.000 0.878) 1.415 4.663 ( 1.358 0.000 -3.305) 3.573 4.675 ( 0.196 0.000 -4.702) 4.706 4.708 ( -0.025 0.000 -1.948) 1.948 4.759 ( 0.285 0.000 -2.701) 2.716 4.931 ( -3.707 0.000 0.281) 3.717 4.963 ( 2.346 0.000 -1.260) 2.663 4.988 ( -1.015 0.000 -0.119) 1.022 5.088 ( 0.876 0.000 0.100) 0.882 5.115 ( 1.268 0.000 0.219) 1.287 5.217 ( 1.530 0.000 -3.297) 3.635 5.273 ( -1.996 0.000 -0.946) 2.209 5.325 ( 0.634 0.000 -0.275) 0.691 5.338 ( -0.614 0.000 0.333) 0.698 5.348 ( 1.031 0.000 -0.311) 1.077 5.365 ( 1.235 0.000 0.398) 1.297 5.410 ( -1.087 0.000 0.148) 1.097 5.474 ( 0.304 0.000 -0.506) 0.590 5.507 ( 0.888 0.000 -1.067) 1.389 5.591 ( 0.087 0.000 -0.566) 0.573 5.668 ( 0.854 0.000 -4.054) 4.143 5.835 ( 1.805 0.000 -2.845) 3.369 5.871 ( 4.117 0.000 1.166) 4.279 5.898 ( 2.020 0.000 -0.914) 2.217 5.933 ( 2.750 0.000 2.906) 4.001 6.130 ( 0.403 0.000 9.573) 9.581 6.133 ( -0.907 0.000 2.943) 3.079 6.162 ( -0.337 0.000 6.752) 6.761 6.226 ( -1.073 0.000 5.976) 6.071 7.525 ( 0.882 0.000 -0.281) 0.926 7.553 ( 0.786 0.000 -0.184) 0.808 7.564 ( 0.470 0.000 -0.710) 0.852 7.591 ( 2.717 0.000 0.894) 2.861 8.006 ( 0.238 0.000 -0.399) 0.464 8.027 ( 1.258 0.000 0.552) 1.374 8.048 ( 0.479 0.000 -0.986) 1.096 8.063 ( -1.296 0.000 2.678) 2.975 8.104 ( -0.648 0.000 -1.536) 1.667 8.113 ( -0.390 0.000 0.295) 0.489 8.266 ( -0.404 0.000 -1.078) 1.151 8.304 ( 0.687 0.000 0.452) 0.823 8.460 ( -2.326 0.000 1.327) 2.678 8.495 ( -0.125 0.000 1.359) 1.364 8.783 ( -1.690 0.000 -2.071) 2.674 8.799 ( -0.850 0.000 -1.439) 1.671 8.973 ( 0.137 0.000 0.033) 0.141 9.017 ( -0.718 0.000 -1.475) 1.640 9.088 ( 0.595 0.000 -3.732) 3.779 9.207 ( 1.519 0.000 -2.021) 2.528 9.229 ( -1.492 0.000 -5.462) 5.663 9.306 ( -0.940 0.000 -9.870) 9.914 9.435 ( -3.392 0.000 -3.721) 5.035 9.499 ( -3.941 0.000 -3.478) 5.257 ======================= Grid point 26 (14/50) ======================= q-point: (-0.29 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( -19.197 0.000 -4.258) 19.664 0.818 ( -22.436 0.000 -12.250) 25.563 1.267 ( -7.268 0.000 9.479) 11.945 1.293 ( -2.994 0.000 4.958) 5.792 1.396 ( -23.841 0.000 11.255) 26.364 1.471 ( -6.803 0.000 9.482) 11.669 1.545 ( -15.464 0.000 5.136) 16.295 1.604 ( -0.487 0.000 -2.233) 2.286 1.713 ( 1.155 0.000 -5.726) 5.842 1.732 ( 7.013 0.000 4.949) 8.583 1.773 ( 1.011 0.000 -1.877) 2.132 1.825 ( 3.931 0.000 -3.159) 5.043 1.845 ( -2.045 0.000 2.965) 3.602 1.902 ( 3.528 0.000 -1.154) 3.712 1.910 ( 2.762 0.000 0.295) 2.777 1.927 ( 3.025 0.000 -3.562) 4.674 2.009 ( 1.859 0.000 -4.273) 4.660 2.049 ( 3.150 0.000 -1.439) 3.464 2.053 ( 1.090 0.000 -2.827) 3.030 2.115 ( 2.265 0.000 2.968) 3.734 2.153 ( 2.322 0.000 1.517) 2.774 2.174 ( -0.609 0.000 -0.760) 0.974 2.220 ( 0.568 0.000 -0.663) 0.873 2.227 ( 5.365 0.000 0.884) 5.437 2.252 ( -2.095 0.000 -0.772) 2.232 2.278 ( 0.263 0.000 2.498) 2.511 2.285 ( 0.226 0.000 -1.477) 1.494 2.315 ( 4.233 0.000 -4.439) 6.134 2.360 ( 0.769 0.000 -1.284) 1.497 2.381 ( -0.206 0.000 -2.709) 2.717 2.390 ( -3.005 0.000 -0.407) 3.032 2.401 ( -0.804 0.000 -1.260) 1.494 2.468 ( 0.654 0.000 -4.272) 4.322 2.468 ( 3.322 0.000 -9.179) 9.762 2.516 ( -1.145 0.000 3.233) 3.430 2.527 ( -4.909 0.000 0.222) 4.914 2.573 ( -7.114 0.000 -0.861) 7.166 2.614 ( -1.275 0.000 -1.116) 1.694 2.680 ( -2.322 0.000 1.814) 2.947 2.707 ( -1.253 0.000 -0.681) 1.426 2.724 ( 0.305 0.000 -0.207) 0.368 2.793 ( -3.433 0.000 1.905) 3.926 2.796 ( -1.100 0.000 0.470) 1.196 3.054 ( 1.393 0.000 -5.159) 5.344 3.067 ( -0.461 0.000 -0.877) 0.991 3.156 ( -0.069 0.000 -2.671) 2.672 3.190 ( -2.497 0.000 -0.028) 2.497 3.225 ( 0.635 0.000 1.027) 1.207 3.235 ( -0.822 0.000 -0.363) 0.899 3.265 ( 9.526 0.000 3.251) 10.066 3.370 ( 2.986 0.000 -2.288) 3.762 3.467 ( 1.583 0.000 0.799) 1.773 3.489 ( 0.858 0.000 -1.373) 1.619 3.548 ( 3.935 0.000 -2.438) 4.629 3.572 ( -2.561 0.000 2.191) 3.371 3.672 ( 0.783 0.000 -1.135) 1.379 4.658 ( 1.106 0.000 -4.177) 4.321 4.661 ( 1.667 0.000 -3.105) 3.524 4.695 ( 0.292 0.000 -1.619) 1.645 4.744 ( 0.551 0.000 -2.760) 2.814 4.849 ( -4.318 0.000 0.272) 4.327 4.975 ( -0.947 0.000 0.175) 0.963 5.019 ( 4.011 0.000 -1.259) 4.204 5.099 ( 0.672 0.000 -0.166) 0.692 5.144 ( 1.888 0.000 0.104) 1.890 5.229 ( 1.283 0.000 -1.972) 2.353 5.239 ( -0.947 0.000 -0.601) 1.122 5.305 ( -1.683 0.000 -1.114) 2.019 5.345 ( 0.728 0.000 1.234) 1.433 5.382 ( 0.325 0.000 -0.062) 0.330 5.383 ( 1.561 0.000 -0.067) 1.562 5.415 ( 2.050 0.000 0.522) 2.116 5.477 ( 1.454 0.000 -3.293) 3.600 5.522 ( 1.919 0.000 -1.483) 2.425 5.593 ( 0.570 0.000 -0.585) 0.816 5.655 ( 0.614 0.000 -3.209) 3.267 5.850 ( 2.198 0.000 -3.231) 3.908 5.902 ( 0.923 0.000 -2.678) 2.833 5.975 ( 4.275 0.000 1.776) 4.629 5.999 ( 1.343 0.000 3.871) 4.097 6.105 ( -4.116 0.000 2.774) 4.964 6.224 ( 1.824 0.000 7.179) 7.407 6.262 ( 5.174 0.000 12.065) 13.128 6.266 ( 0.435 0.000 4.501) 4.522 7.533 ( -0.078 0.000 -0.208) 0.223 7.568 ( 0.639 0.000 -0.735) 0.974 7.575 ( 1.459 0.000 0.630) 1.590 7.668 ( 4.322 0.000 1.829) 4.693 8.004 ( -0.170 0.000 -0.024) 0.171 8.042 ( 0.293 0.000 -2.394) 2.412 8.050 ( 0.735 0.000 0.532) 0.908 8.071 ( -0.036 0.000 4.099) 4.099 8.092 ( 0.288 0.000 -1.289) 1.321 8.123 ( 0.275 0.000 4.217) 4.226 8.266 ( 1.114 0.000 -1.029) 1.516 8.329 ( 0.807 0.000 1.140) 1.397 8.428 ( -2.138 0.000 1.849) 2.827 8.524 ( 2.530 0.000 1.802) 3.106 8.710 ( -4.490 0.000 -2.178) 4.990 8.781 ( -0.375 0.000 1.246) 1.302 8.964 ( -1.682 0.000 -4.921) 5.200 8.983 ( -0.565 0.000 0.743) 0.933 9.040 ( -2.607 0.000 -4.434) 5.144 9.167 ( -0.785 0.000 -3.655) 3.738 9.171 ( -2.009 0.000 -19.515) 19.618 9.233 ( 1.637 0.000 -1.520) 2.234 9.350 ( -2.656 0.000 -2.873) 3.913 9.416 ( -2.319 0.000 -1.697) 2.873 ======================= Grid point 27 (15/50) ======================= q-point: (-0.14 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.393 ( -14.571 0.000 8.551) 16.895 0.436 ( -14.572 0.000 12.301) 19.070 0.948 ( -32.455 0.000 23.898) 40.304 1.207 ( -11.480 0.000 11.172) 16.019 1.285 ( -13.483 0.000 11.723) 17.867 1.314 ( -3.941 0.000 -1.338) 4.162 1.480 ( -2.511 0.000 4.158) 4.858 1.579 ( 2.195 0.000 -5.226) 5.669 1.697 ( -0.496 0.000 1.193) 1.291 1.755 ( -0.513 0.000 -0.579) 0.773 1.833 ( -2.125 0.000 6.162) 6.518 1.874 ( 3.929 0.000 2.565) 4.692 1.878 ( 3.542 0.000 -1.267) 3.762 1.945 ( 0.622 0.000 0.990) 1.170 1.963 ( 2.834 0.000 -0.816) 2.949 1.986 ( 3.587 0.000 3.187) 4.798 1.987 ( 0.047 0.000 -2.920) 2.921 2.038 ( -0.874 0.000 -1.391) 1.643 2.046 ( 0.641 0.000 -3.184) 3.248 2.139 ( -0.910 0.000 0.243) 0.942 2.141 ( 1.715 0.000 2.974) 3.433 2.177 ( -4.021 0.000 0.629) 4.070 2.198 ( 1.185 0.000 -0.769) 1.413 2.230 ( -0.786 0.000 -1.725) 1.895 2.239 ( -0.401 0.000 -1.060) 1.133 2.313 ( -0.868 0.000 -1.115) 1.413 2.332 ( 0.416 0.000 3.579) 3.603 2.339 ( 2.706 0.000 1.975) 3.350 2.352 ( 2.664 0.000 -5.284) 5.918 2.358 ( 0.821 0.000 -1.885) 2.056 2.411 ( 4.725 0.000 0.564) 4.758 2.418 ( -2.403 0.000 -5.123) 5.658 2.458 ( -1.048 0.000 0.246) 1.077 2.474 ( 1.117 0.000 -3.574) 3.745 2.509 ( 2.547 0.000 -1.363) 2.889 2.509 ( 1.930 0.000 2.301) 3.003 2.527 ( -0.122 0.000 1.382) 1.387 2.581 ( -1.132 0.000 -1.318) 1.738 2.652 ( -1.041 0.000 0.635) 1.220 2.685 ( -2.089 0.000 2.585) 3.324 2.720 ( -0.651 0.000 -0.148) 0.667 2.736 ( -3.430 0.000 0.912) 3.549 2.776 ( -1.374 0.000 0.149) 1.382 3.004 ( -1.900 0.000 -8.231) 8.448 3.071 ( 0.572 0.000 1.555) 1.657 3.105 ( -0.735 0.000 -2.140) 2.263 3.140 ( -2.503 0.000 0.311) 2.522 3.223 ( -0.316 0.000 0.803) 0.862 3.254 ( 2.855 0.000 -0.843) 2.976 3.390 ( 1.787 0.000 -4.033) 4.411 3.433 ( 5.830 0.000 -0.354) 5.841 3.501 ( 1.289 0.000 -1.431) 1.926 3.509 ( 1.312 0.000 2.360) 2.701 3.554 ( 0.033 0.000 1.468) 1.468 3.593 ( 3.483 0.000 -4.077) 5.362 3.667 ( 0.695 0.000 -3.187) 3.262 4.645 ( 1.044 0.000 -3.962) 4.097 4.683 ( 2.152 0.000 -1.481) 2.612 4.700 ( 0.959 0.000 -0.302) 1.006 4.754 ( 2.575 0.000 0.227) 2.585 4.799 ( -1.894 0.000 2.125) 2.847 4.954 ( -0.769 0.000 0.186) 0.792 5.081 ( 3.959 0.000 -2.161) 4.511 5.109 ( 0.287 0.000 0.123) 0.312 5.184 ( 1.808 0.000 0.663) 1.926 5.223 ( -0.592 0.000 -0.866) 1.050 5.231 ( 0.403 0.000 -0.757) 0.858 5.271 ( -0.860 0.000 -0.367) 0.935 5.376 ( -0.052 0.000 2.022) 2.023 5.381 ( 0.405 0.000 1.077) 1.151 5.388 ( -0.239 0.000 -0.266) 0.358 5.471 ( 1.569 0.000 -5.787) 5.996 5.481 ( 3.461 0.000 0.696) 3.530 5.559 ( 3.575 0.000 -1.753) 3.982 5.594 ( -0.148 0.000 -0.805) 0.818 5.640 ( 0.427 0.000 -3.173) 3.201 5.865 ( 1.971 0.000 -2.785) 3.412 5.894 ( 0.224 0.000 -1.167) 1.189 6.025 ( -5.243 0.000 5.363) 7.500 6.036 ( -1.984 0.000 0.915) 2.184 6.044 ( 2.500 0.000 -0.441) 2.538 6.262 ( -2.100 0.000 -3.243) 3.864 6.289 ( -0.429 0.000 0.805) 0.912 6.485 ( 8.511 0.000 3.073) 9.049 7.524 ( -0.480 0.000 -0.058) 0.483 7.574 ( 0.556 0.000 -0.924) 1.078 7.606 ( 0.836 0.000 0.119) 0.845 7.723 ( -0.074 0.000 -5.521) 5.521 7.999 ( -0.621 0.000 0.212) 0.656 8.027 ( -0.087 0.000 -1.932) 1.934 8.058 ( -0.313 0.000 0.081) 0.323 8.070 ( -0.814 0.000 -2.729) 2.847 8.134 ( 2.241 0.000 6.961) 7.313 8.285 ( 1.771 0.000 -0.888) 1.981 8.296 ( 13.189 0.000 16.884) 21.425 8.337 ( -0.421 0.000 0.822) 0.924 8.417 ( -0.961 0.000 2.205) 2.405 8.593 ( 2.500 0.000 -1.230) 2.786 8.601 ( -4.724 0.000 -1.983) 5.123 8.761 ( -14.910 0.000 -20.799) 25.591 8.887 ( -0.802 0.000 -2.733) 2.848 8.900 ( 4.263 0.000 4.848) 6.456 8.988 ( -0.078 0.000 1.436) 1.438 8.990 ( -0.957 0.000 0.238) 0.987 9.153 ( 0.663 0.000 -0.555) 0.865 9.264 ( 2.552 0.000 -1.838) 3.145 9.324 ( 0.454 0.000 2.773) 2.810 9.415 ( 1.972 0.000 4.055) 4.509 ======================= Grid point 28 (16/50) ======================= q-point: ( 0.00 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.495 ( -1.875 12.412 12.875) 17.981 0.656 ( -14.937 10.012 22.482) 28.788 0.830 ( -8.623 -19.113 4.647) 21.477 0.887 ( -11.150 -18.639 7.784) 23.072 1.097 ( 8.950 27.641 26.115) 39.066 1.350 ( -7.655 13.970 6.278) 17.122 1.536 ( -2.617 -6.089 3.529) 7.508 1.555 ( 2.990 -16.124 10.747) 19.607 1.683 ( -1.219 4.231 2.189) 4.917 1.748 ( 1.407 5.629 1.761) 6.064 1.813 ( 2.972 -1.103 3.120) 4.447 1.851 ( -0.123 -6.916 -0.111) 6.918 1.871 ( -0.134 -3.401 0.033) 3.404 1.928 ( 1.551 -6.706 -1.800) 7.114 1.959 ( -0.336 -0.175 -0.614) 0.721 1.977 ( 0.028 -0.996 -2.258) 2.468 2.015 ( 1.621 -0.021 1.536) 2.233 2.048 ( 2.403 -1.108 -0.557) 2.704 2.085 ( -0.945 3.443 0.418) 3.594 2.106 ( -0.130 0.436 -1.364) 1.438 2.159 ( -1.746 3.519 -1.965) 4.392 2.177 ( -0.158 1.672 -0.663) 1.806 2.210 ( 0.015 -0.637 -1.257) 1.409 2.232 ( -0.143 -1.106 -1.636) 1.980 2.247 ( 3.217 -0.290 0.973) 3.373 2.278 ( -3.168 0.747 -3.315) 4.646 2.299 ( -0.937 -4.920 -0.671) 5.053 2.309 ( -2.726 -2.752 -0.878) 3.972 2.360 ( 0.795 2.734 -2.599) 3.855 2.393 ( -0.189 -1.596 -2.701) 3.143 2.429 ( -1.286 1.615 1.021) 2.303 2.438 ( -1.448 0.358 0.399) 1.544 2.469 ( -1.002 2.815 2.140) 3.675 2.505 ( 1.462 -0.042 0.598) 1.580 2.520 ( 2.798 1.540 2.071) 3.807 2.550 ( 2.620 -1.300 0.645) 2.995 2.592 ( 1.316 2.203 -0.455) 2.606 2.631 ( 1.728 -0.857 0.191) 1.938 2.646 ( 2.777 1.462 1.899) 3.668 2.681 ( 0.717 -2.383 1.477) 2.894 2.715 ( -1.355 2.330 0.119) 2.698 2.750 ( -1.428 -0.796 -0.740) 1.795 2.791 ( -0.806 12.314 5.433) 13.483 3.014 ( -0.758 -7.886 1.844) 8.134 3.048 ( 4.667 -0.928 1.297) 4.932 3.091 ( 3.530 -2.587 0.593) 4.416 3.137 ( 1.245 2.193 1.610) 2.992 3.182 ( 0.777 -2.723 2.055) 3.498 3.360 ( 2.042 3.414 -1.486) 4.246 3.394 ( 0.950 -0.012 -2.133) 2.335 3.423 ( -0.556 0.420 -4.092) 4.150 3.480 ( 0.618 -3.327 -1.698) 3.786 3.538 ( 0.980 0.110 0.867) 1.313 3.560 ( 0.938 -1.403 0.777) 1.858 3.639 ( 1.871 3.261 -5.916) 7.009 3.672 ( 1.434 -0.447 -4.460) 4.706 4.695 ( 1.040 1.981 -2.227) 3.156 4.712 ( 1.135 -0.251 0.342) 1.211 4.721 ( 1.340 1.609 -1.389) 2.513 4.756 ( 0.944 -2.021 -0.197) 2.240 4.877 ( 0.623 4.373 -3.040) 5.362 4.949 ( 2.466 -4.310 -2.576) 5.594 5.125 ( -0.745 1.181 -1.254) 1.877 5.143 ( -0.159 -0.447 -2.583) 2.627 5.206 ( 0.152 0.853 0.417) 0.961 5.223 ( 1.163 -0.679 -0.692) 1.514 5.280 ( 3.173 3.132 -0.567) 4.494 5.290 ( 1.101 1.028 0.692) 1.657 5.363 ( -0.268 1.031 0.254) 1.095 5.388 ( 1.018 -0.729 0.815) 1.494 5.405 ( 1.273 1.559 -0.635) 2.110 5.448 ( 3.053 -2.506 -1.001) 4.075 5.536 ( -0.320 1.350 0.229) 1.406 5.559 ( -0.503 -1.414 -0.102) 1.504 5.624 ( 2.041 0.389 -4.840) 5.267 5.627 ( 0.730 0.150 -2.788) 2.886 5.889 ( -0.634 1.087 1.412) 1.891 5.904 ( 1.190 -0.182 -0.026) 1.204 5.934 ( -4.600 0.596 1.160) 4.782 5.960 ( -5.614 -2.552 3.131) 6.916 6.112 ( -1.268 5.615 -2.277) 6.190 6.183 ( -3.570 3.224 -4.895) 6.862 6.242 ( -4.810 2.410 -4.412) 6.958 6.362 ( -7.795 -5.880 -11.020) 14.723 7.539 ( 0.125 1.594 -1.046) 1.910 7.560 ( -0.415 -0.814 -1.390) 1.664 7.586 ( -2.783 1.280 -1.037) 3.234 7.609 ( -3.169 -1.188 -0.621) 3.440 7.998 ( -0.748 1.164 -0.606) 1.511 8.012 ( -0.509 -0.171 -1.029) 1.160 8.033 ( -0.561 -0.205 -1.546) 1.657 8.038 ( -0.348 -0.415 -1.828) 1.906 8.225 ( -1.107 0.908 6.881) 7.029 8.257 ( -3.180 -2.976 5.686) 7.162 8.346 ( 0.539 0.649 0.988) 1.299 8.354 ( -0.867 0.062 0.834) 1.205 8.449 ( -4.280 3.596 -1.431) 5.770 8.513 ( -3.048 -3.444 -2.995) 5.488 8.585 ( 4.223 0.918 -0.810) 4.397 8.597 ( 6.456 -0.434 -0.488) 6.489 8.940 ( 2.652 1.768 1.644) 3.587 8.975 ( 1.552 -1.861 1.236) 2.720 9.028 ( 3.198 2.050 3.563) 5.208 9.090 ( 5.952 -5.468 4.446) 9.224 9.252 ( 2.776 1.962 -2.013) 3.950 9.278 ( 1.944 -1.225 -1.627) 2.815 9.443 ( 3.603 4.000 8.189) 9.800 9.544 ( 8.511 -7.996 8.201) 14.270 ======================= Grid point 29 (17/50) ======================= q-point: ( 0.14 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.709 ( 6.198 3.995 16.579) 18.145 0.768 ( 13.100 -3.347 17.964) 22.484 0.822 ( 4.145 -13.479 5.976) 15.316 0.881 ( 4.090 -10.681 10.119) 15.271 1.301 ( -0.843 12.444 2.841) 12.792 1.421 ( -2.740 7.757 -2.767) 8.680 1.510 ( 12.310 18.156 19.445) 29.313 1.638 ( -0.814 0.917 -1.007) 1.586 1.746 ( 1.733 -6.385 1.822) 6.862 1.794 ( -0.652 -4.899 -0.062) 4.943 1.829 ( 2.150 1.227 0.325) 2.497 1.840 ( -3.415 -0.199 1.344) 3.676 1.884 ( -2.838 -1.627 -0.943) 3.404 1.946 ( -1.034 2.203 0.342) 2.458 1.972 ( 2.072 -3.553 -1.294) 4.311 1.975 ( 2.300 -6.404 4.072) 7.930 1.995 ( -0.561 0.268 -0.321) 0.700 2.039 ( 1.985 -5.062 -0.072) 5.437 2.091 ( -2.616 -0.147 1.511) 3.024 2.096 ( -1.737 -1.020 -0.076) 2.016 2.103 ( -1.525 3.305 -3.336) 4.937 2.178 ( -0.217 0.612 -2.329) 2.418 2.192 ( -0.906 -1.915 -2.247) 3.089 2.222 ( 1.171 -2.577 -0.513) 2.876 2.236 ( -2.037 -1.251 1.015) 2.597 2.241 ( -1.654 -1.522 0.735) 2.365 2.297 ( -0.612 0.219 -3.223) 3.288 2.321 ( 0.800 1.473 1.641) 2.346 2.334 ( -2.462 -1.679 -2.999) 4.227 2.351 ( 3.609 -1.565 3.215) 5.081 2.420 ( -0.673 1.942 0.168) 2.063 2.441 ( 0.954 -1.029 0.772) 1.602 2.475 ( 1.027 4.020 3.047) 5.148 2.540 ( 1.117 -3.224 0.962) 3.545 2.567 ( 1.391 0.979 0.896) 1.923 2.582 ( 1.189 -0.896 0.536) 1.582 2.630 ( 1.033 2.317 -2.013) 3.238 2.653 ( 1.270 0.506 -1.701) 2.182 2.684 ( 0.083 0.557 -0.418) 0.701 2.707 ( 2.294 -0.324 1.146) 2.584 2.746 ( 2.498 0.120 3.307) 4.146 2.759 ( 1.789 -0.952 2.043) 2.878 2.841 ( 1.875 12.333 6.385) 14.014 3.032 ( 1.051 -7.898 2.523) 8.358 3.094 ( 0.459 0.690 1.061) 1.346 3.129 ( 0.649 -2.374 -1.219) 2.746 3.186 ( 1.564 2.498 0.047) 2.948 3.228 ( 1.175 -2.230 1.959) 3.192 3.326 ( -4.267 0.077 -3.116) 5.284 3.331 ( -4.279 -0.343 -3.651) 5.635 3.425 ( 1.901 3.883 -0.723) 4.383 3.489 ( 0.331 -3.147 -2.167) 3.836 3.544 ( 0.148 1.160 1.166) 1.651 3.569 ( -0.451 -1.567 0.083) 1.633 3.612 ( -0.238 2.848 -3.622) 4.614 3.647 ( -0.458 -1.041 -4.545) 4.685 4.695 ( 1.053 1.563 -2.384) 3.039 4.714 ( 0.098 -0.892 -1.807) 2.017 4.739 ( 0.979 1.563 -0.314) 1.871 4.759 ( 0.189 -0.493 -1.713) 1.792 4.889 ( 1.556 3.522 0.500) 3.883 4.971 ( 1.866 -5.482 -2.355) 6.251 5.079 ( -2.637 0.506 -0.357) 2.709 5.091 ( -2.803 -0.557 -1.266) 3.126 5.206 ( -0.541 1.261 0.887) 1.634 5.229 ( 0.249 -0.894 -0.184) 0.946 5.308 ( -0.826 2.287 0.900) 2.593 5.328 ( 1.261 1.291 0.836) 1.989 5.343 ( -0.900 1.599 0.224) 1.848 5.394 ( 0.866 -2.050 -0.073) 2.227 5.457 ( 2.087 0.980 -2.809) 3.634 5.476 ( -0.376 -0.997 -0.018) 1.066 5.515 ( -1.376 1.916 0.306) 2.379 5.551 ( 0.001 -1.896 -0.144) 1.901 5.588 ( -1.527 2.337 -1.145) 3.017 5.638 ( 2.029 -2.804 -3.056) 4.617 5.840 ( -3.527 1.146 0.055) 3.709 5.865 ( -3.655 -1.428 -1.026) 4.056 5.930 ( 0.363 1.203 1.469) 1.933 5.947 ( 1.878 -0.681 -0.516) 2.063 6.027 ( -3.431 3.563 -0.725) 5.000 6.104 ( -7.465 -4.207 -5.144) 9.994 6.138 ( -0.514 4.670 0.143) 4.700 6.205 ( -1.456 -2.558 -1.351) 3.238 7.528 ( -0.218 0.618 -0.310) 0.725 7.535 ( -0.453 -0.105 -0.700) 0.840 7.562 ( -0.266 0.590 -1.303) 1.455 7.575 ( -0.696 -0.847 -0.753) 1.330 7.983 ( 0.005 0.758 -1.180) 1.403 7.998 ( -0.298 -0.831 -1.201) 1.491 8.020 ( 0.469 0.757 -0.672) 1.115 8.033 ( 0.584 -0.597 -0.788) 1.149 8.210 ( -3.244 0.731 3.278) 4.670 8.226 ( -3.478 -0.992 3.679) 5.160 8.357 ( -1.185 0.954 1.982) 2.498 8.370 ( -0.635 -0.409 2.218) 2.343 8.418 ( 0.262 2.224 0.746) 2.360 8.468 ( -0.281 -2.932 -0.760) 3.042 8.682 ( 5.648 1.180 0.417) 5.784 8.700 ( 5.144 -0.721 -0.403) 5.210 8.977 ( 0.682 1.077 1.040) 1.645 9.004 ( 0.699 -1.929 0.975) 2.271 9.110 ( 2.868 3.782 0.852) 4.822 9.176 ( 2.413 -3.654 -0.234) 4.385 9.268 ( 1.424 1.774 -1.402) 2.672 9.293 ( 1.423 -1.074 -0.904) 1.999 9.557 ( 1.386 4.869 6.919) 8.573 9.674 ( 0.359 -7.795 4.173) 8.849 ======================= Grid point 30 (18/50) ======================= q-point: ( 0.29 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 14.466 0.903 7.802) 16.461 1.023 ( 10.455 -2.525 7.884) 13.336 1.132 ( 15.274 -2.823 5.017) 16.323 1.168 ( 14.714 -7.137 13.497) 21.204 1.359 ( 5.333 8.103 0.333) 9.706 1.398 ( 3.856 8.789 -3.401) 10.183 1.614 ( 1.972 -3.462 -2.184) 4.544 1.693 ( -2.651 -1.299 -3.495) 4.575 1.713 ( -6.609 -2.452 -1.334) 7.174 1.745 ( -3.547 -5.184 -4.295) 7.610 1.767 ( -2.136 2.698 -1.388) 3.711 1.803 ( -1.444 -1.393 -2.254) 3.018 1.893 ( -3.169 4.061 1.714) 5.429 1.945 ( 1.580 6.797 2.707) 7.485 1.954 ( -1.618 0.045 -0.677) 1.755 1.988 ( 0.852 0.475 -4.652) 4.753 1.995 ( -1.756 0.012 -1.614) 2.385 2.028 ( -1.563 0.379 3.269) 3.643 2.055 ( -0.074 0.860 -0.424) 0.962 2.077 ( 1.994 -1.128 -0.294) 2.310 2.111 ( 0.386 -0.695 -1.702) 1.878 2.139 ( -0.816 -3.396 -1.574) 3.831 2.161 ( -2.361 -0.558 -0.287) 2.443 2.195 ( -4.304 -0.662 -1.159) 4.506 2.237 ( 1.746 -0.721 2.299) 2.975 2.259 ( -0.238 -0.905 -2.803) 2.955 2.280 ( 2.749 0.789 0.615) 2.926 2.320 ( 4.731 -0.655 1.198) 4.924 2.375 ( 0.092 3.851 3.344) 5.101 2.415 ( 0.668 0.790 0.820) 1.320 2.449 ( 0.929 -1.403 0.319) 1.713 2.472 ( 2.662 -5.270 5.070) 7.782 2.516 ( 2.570 0.056 2.380) 3.503 2.533 ( -1.775 -1.364 0.922) 2.421 2.603 ( 0.657 0.301 -4.201) 4.262 2.611 ( 0.804 -0.588 -4.675) 4.780 2.630 ( 2.329 0.241 1.081) 2.579 2.643 ( 2.656 -1.520 0.624) 3.123 2.722 ( 1.012 2.182 3.059) 3.891 2.753 ( 1.192 -0.606 1.941) 2.357 2.797 ( 0.600 -0.408 2.651) 2.749 2.805 ( 1.089 -0.752 2.582) 2.901 2.947 ( 3.757 9.843 4.948) 11.640 3.074 ( -4.974 -1.979 -0.236) 5.358 3.088 ( -1.344 -1.521 -1.550) 2.554 3.115 ( -2.378 -2.076 -1.365) 3.439 3.146 ( -1.426 0.667 2.893) 3.294 3.176 ( -4.254 -2.580 0.463) 4.997 3.242 ( -1.574 1.712 -2.431) 3.364 3.265 ( -0.827 -0.855 -0.834) 1.453 3.418 ( -2.948 1.833 -4.820) 5.940 3.431 ( -1.724 0.647 -0.538) 1.919 3.550 ( -1.538 0.126 -1.180) 1.942 3.569 ( 0.029 -1.649 0.798) 1.832 3.599 ( 0.537 0.637 1.188) 1.451 3.606 ( -0.666 -0.110 -2.219) 2.319 4.692 ( 0.221 0.467 -2.748) 2.796 4.702 ( 0.727 -0.665 -2.179) 2.391 4.746 ( 0.379 0.741 -2.553) 2.686 4.751 ( 0.760 0.117 -0.823) 1.127 4.922 ( 1.359 2.647 0.175) 2.980 4.982 ( 0.762 -3.880 -1.075) 4.098 5.045 ( -1.293 -0.072 0.814) 1.530 5.047 ( -0.933 -0.227 0.001) 0.960 5.184 ( -2.363 2.478 -0.487) 3.459 5.230 ( -0.600 -2.673 -0.013) 2.740 5.297 ( -0.472 1.121 0.612) 1.362 5.316 ( -0.877 -1.009 0.499) 1.427 5.354 ( -0.177 2.612 -0.293) 2.635 5.394 ( -1.399 -1.558 -0.661) 2.196 5.419 ( -2.483 0.607 -1.914) 3.194 5.441 ( -2.241 -1.913 0.633) 3.014 5.500 ( -0.491 3.629 -0.422) 3.686 5.559 ( 0.787 -1.541 -1.413) 2.234 5.577 ( -0.117 2.938 1.323) 3.224 5.653 ( 1.851 -3.805 -2.606) 4.969 5.789 ( -0.730 -0.193 -1.950) 2.091 5.799 ( -0.873 -0.891 -2.845) 3.107 5.919 ( -2.312 1.471 -0.139) 2.744 5.936 ( -2.136 -0.189 -1.311) 2.513 6.022 ( 0.593 0.191 1.496) 1.620 6.028 ( 2.048 -0.373 1.379) 2.497 6.149 ( -0.576 2.843 3.811) 4.789 6.197 ( -0.888 -2.210 3.050) 3.869 7.526 ( 0.133 0.595 -0.720) 0.944 7.534 ( 0.689 -0.260 -0.425) 0.850 7.550 ( 0.171 0.302 -1.253) 1.300 7.558 ( -0.400 -0.550 -0.988) 1.200 7.983 ( 0.940 0.301 -1.174) 1.534 7.991 ( 0.629 -0.610 -1.160) 1.453 8.032 ( 0.713 0.651 0.510) 1.092 8.041 ( 0.592 -0.357 0.069) 0.694 8.175 ( -2.642 0.461 1.442) 3.045 8.184 ( -3.145 -0.504 1.379) 3.471 8.334 ( -2.366 0.517 1.273) 2.736 8.343 ( -2.965 -0.441 1.499) 3.352 8.453 ( 1.529 1.295 1.430) 2.462 8.479 ( 0.698 -1.457 0.846) 1.823 8.770 ( 3.655 0.408 -0.409) 3.701 8.776 ( 3.508 -0.254 -0.622) 3.572 8.986 ( -0.258 1.018 0.666) 1.244 9.013 ( -0.148 -2.007 0.320) 2.038 9.137 ( 0.934 3.181 -1.957) 3.850 9.186 ( 0.502 -2.291 -2.516) 3.440 9.295 ( 1.902 1.718 -1.145) 2.807 9.324 ( 2.472 -1.417 -1.498) 3.219 9.585 ( -2.066 3.525 2.818) 4.963 9.658 ( -3.732 -4.218 1.711) 5.886 ======================= Grid point 31 (19/50) ======================= q-point: ( 0.43 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( 4.562 0.285 3.343) 5.663 1.274 ( 5.017 -3.055 3.747) 6.968 1.375 ( 3.860 1.318 1.138) 4.235 1.395 ( 4.469 -1.385 1.011) 4.787 1.451 ( 2.857 4.497 -2.172) 5.754 1.520 ( 9.508 -1.024 -2.720) 9.942 1.597 ( 1.507 0.538 1.432) 2.147 1.608 ( -0.094 0.912 3.240) 3.367 1.684 ( 2.214 -0.029 -4.592) 5.098 1.695 ( -1.722 2.623 -1.184) 3.354 1.718 ( -1.140 -0.475 0.214) 1.253 1.740 ( 3.698 -3.834 -1.141) 5.448 1.825 ( -1.983 -0.821 -2.085) 2.992 1.867 ( -3.453 -3.877 -3.261) 6.131 1.904 ( -3.970 4.353 -2.364) 6.348 1.926 ( -0.555 0.639 -5.525) 5.590 1.982 ( 0.044 0.222 -4.234) 4.240 2.029 ( 1.127 3.096 -3.142) 4.553 2.045 ( -0.529 1.788 -2.902) 3.450 2.087 ( -4.289 -1.458 -0.956) 4.630 2.116 ( 0.147 -0.209 -0.121) 0.282 2.131 ( 0.759 -5.500 1.777) 5.829 2.145 ( 1.136 -1.842 -3.711) 4.296 2.150 ( 1.697 -3.362 1.897) 4.217 2.248 ( 1.553 1.493 -0.405) 2.192 2.270 ( 0.471 -0.127 1.349) 1.435 2.322 ( 1.223 4.977 -4.209) 6.632 2.370 ( -1.190 4.614 1.214) 4.917 2.402 ( -0.040 -1.706 -0.495) 1.776 2.431 ( 0.104 -2.441 0.210) 2.452 2.451 ( -2.585 1.588 -2.506) 3.935 2.484 ( 1.076 -0.760 -0.541) 1.425 2.546 ( 1.775 0.621 -4.464) 4.844 2.577 ( 0.474 -2.082 -0.923) 2.326 2.612 ( 4.913 1.967 1.821) 5.596 2.633 ( -0.362 -1.214 2.112) 2.463 2.658 ( 0.237 1.458 2.246) 2.688 2.686 ( -2.537 0.116 -0.554) 2.600 2.719 ( -4.245 2.204 1.306) 4.959 2.753 ( -2.012 -0.783 0.699) 2.270 2.826 ( -1.719 -0.236 2.196) 2.799 2.858 ( 4.506 -1.974 4.991) 7.008 2.881 ( -2.590 -1.610 1.338) 3.330 2.899 ( -10.144 -5.122 -1.474) 11.459 3.067 ( 1.954 5.243 1.588) 5.816 3.133 ( 1.417 -2.142 -0.572) 2.631 3.150 ( -2.385 3.799 -2.374) 5.075 3.168 ( 0.421 0.840 0.509) 1.068 3.227 ( -1.684 -1.481 2.102) 3.074 3.246 ( -0.764 -1.964 3.557) 4.134 3.353 ( -0.051 3.297 -1.940) 3.826 3.396 ( -0.715 -1.532 -0.683) 1.824 3.506 ( -1.046 0.882 -2.721) 3.046 3.542 ( -1.888 -2.166 -1.300) 3.154 3.604 ( 0.257 1.352 0.944) 1.669 3.627 ( 0.473 -0.622 2.458) 2.580 4.676 ( 0.576 1.030 -2.797) 3.036 4.696 ( 0.508 -1.174 -2.898) 3.168 4.732 ( 0.234 1.091 -2.925) 3.131 4.753 ( 0.532 -1.189 -2.065) 2.441 4.938 ( 0.790 1.953 -0.360) 2.137 4.975 ( -1.019 -2.152 -0.147) 2.385 5.040 ( -0.662 1.071 0.031) 1.260 5.055 ( 0.988 -0.616 0.408) 1.234 5.133 ( -1.543 3.084 -0.524) 3.488 5.199 ( -1.029 -3.953 -2.136) 4.609 5.305 ( 0.470 0.296 0.203) 0.591 5.312 ( -0.967 -0.345 0.168) 1.040 5.331 ( -0.458 0.495 -0.382) 0.776 5.349 ( -1.632 -1.019 -0.713) 2.052 5.376 ( -1.175 1.904 -0.258) 2.253 5.421 ( -0.972 -3.017 0.590) 3.224 5.490 ( -0.117 4.324 -1.113) 4.466 5.557 ( 0.349 -1.793 -1.369) 2.283 5.582 ( -0.304 3.510 0.378) 3.543 5.659 ( 0.893 -3.331 -3.050) 4.604 5.792 ( 2.030 -0.177 -0.570) 2.116 5.807 ( 2.280 -1.710 0.403) 2.879 5.883 ( -0.202 1.626 -1.484) 2.210 5.904 ( -0.042 -0.198 -0.872) 0.895 6.071 ( 1.534 0.981 4.834) 5.166 6.088 ( 1.986 -0.836 3.405) 4.030 6.163 ( -1.808 2.246 5.520) 6.228 6.202 ( -1.999 -1.911 5.125) 5.823 7.524 ( 0.436 0.944 -0.766) 1.292 7.542 ( 0.181 -0.901 -0.862) 1.260 7.552 ( 1.261 0.217 -0.283) 1.310 7.557 ( 0.849 -0.225 -0.492) 1.006 7.997 ( 1.223 0.087 -0.647) 1.386 8.001 ( 0.996 -0.364 -0.505) 1.175 8.049 ( 0.550 0.576 0.572) 0.981 8.056 ( 0.383 -0.190 1.225) 1.297 8.134 ( -2.234 0.131 -0.175) 2.245 8.138 ( -2.231 -0.214 -0.259) 2.256 8.299 ( -1.905 0.291 -0.109) 1.930 8.304 ( -1.624 -0.309 0.394) 1.700 8.478 ( -0.036 0.547 1.316) 1.426 8.489 ( -0.568 -0.615 1.378) 1.613 8.805 ( 1.037 0.290 -1.474) 1.825 8.810 ( 1.033 -0.179 -1.473) 1.809 8.982 ( -0.368 0.961 0.097) 1.033 9.007 ( -0.329 -1.866 -0.358) 1.929 9.133 ( 0.863 2.986 -2.791) 4.178 9.179 ( 0.944 -2.090 -2.306) 3.252 9.298 ( 0.302 1.979 -4.031) 4.501 9.337 ( 1.115 -2.133 -4.962) 5.515 9.537 ( -3.553 2.313 -1.014) 4.359 9.581 ( -4.715 -2.300 -1.066) 5.353 ======================= Grid point 32 (20/50) ======================= q-point: (-0.43 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( -16.047 -0.536 -4.633) 16.711 1.145 ( -11.937 -9.063 1.432) 15.056 1.401 ( -12.186 8.063 -2.595) 14.840 1.443 ( -2.953 1.902 2.939) 4.580 1.506 ( 4.656 3.173 -2.558) 6.188 1.558 ( 2.011 -1.375 1.807) 3.033 1.629 ( -4.708 -1.194 2.329) 5.387 1.641 ( 3.613 -1.462 -1.296) 4.107 1.669 ( 0.224 2.469 2.479) 3.506 1.703 ( 2.678 -0.897 2.043) 3.486 1.799 ( 2.594 2.943 -3.366) 5.169 1.809 ( 2.781 0.086 -5.532) 6.192 1.843 ( 3.183 -0.476 -0.737) 3.301 1.856 ( -0.266 -0.019 0.235) 0.355 1.875 ( 0.236 -2.431 -3.136) 3.975 1.885 ( 4.404 -3.349 0.353) 5.544 1.953 ( -2.106 3.556 -2.092) 4.632 2.012 ( 4.279 -0.332 -2.448) 4.941 2.037 ( 2.987 0.268 -2.643) 3.998 2.074 ( 3.137 2.153 0.006) 3.805 2.104 ( -0.654 -0.337 -1.014) 1.253 2.134 ( 0.883 -0.416 -1.235) 1.574 2.168 ( -0.224 -4.607 -0.161) 4.615 2.185 ( 0.046 -3.276 0.273) 3.288 2.251 ( -2.968 2.273 2.188) 4.331 2.275 ( -1.088 0.100 -0.193) 1.109 2.306 ( 2.084 4.881 -2.836) 6.017 2.352 ( 0.619 1.147 -4.334) 4.526 2.365 ( -1.689 1.044 -1.443) 2.454 2.377 ( -2.639 0.372 1.760) 3.194 2.424 ( -2.581 -3.621 -1.586) 4.722 2.444 ( -4.662 -3.277 -2.214) 6.113 2.488 ( 0.323 -0.442 -8.023) 8.041 2.498 ( -2.809 -1.641 -6.080) 6.896 2.547 ( -2.120 3.528 -0.733) 4.180 2.620 ( -5.055 -4.260 -0.566) 6.635 2.636 ( -0.962 0.152 1.666) 1.930 2.661 ( -0.451 -2.600 1.780) 3.183 2.696 ( -1.841 0.827 0.017) 2.018 2.721 ( -0.585 -1.479 -0.678) 1.729 2.813 ( -1.781 0.965 0.105) 2.028 2.819 ( -1.185 0.333 1.245) 1.751 2.959 ( -1.227 7.653 2.369) 8.105 3.012 ( 6.370 1.671 3.700) 7.554 3.052 ( 2.005 2.412 0.571) 3.188 3.120 ( 0.463 1.736 -0.849) 1.987 3.144 ( 1.795 -0.500 2.636) 3.228 3.182 ( -0.453 0.190 -0.274) 0.563 3.200 ( 0.186 -4.148 -2.763) 4.988 3.216 ( -5.107 -4.902 3.297) 7.809 3.385 ( 2.454 2.568 -1.202) 3.750 3.417 ( 2.783 -0.458 0.551) 2.874 3.478 ( -0.200 0.146 -2.244) 2.258 3.506 ( -0.335 -1.986 -1.701) 2.636 3.614 ( -0.186 2.227 1.358) 2.615 3.650 ( 0.465 -1.202 1.397) 1.901 4.669 ( 0.912 0.691 -3.372) 3.561 4.680 ( 0.635 -0.165 -3.562) 3.622 4.713 ( 0.228 1.171 -2.756) 3.003 4.743 ( 0.471 -1.682 -2.763) 3.269 4.944 ( -1.555 0.978 -0.126) 1.841 4.957 ( 1.013 -0.582 -0.910) 1.481 5.011 ( -1.283 2.657 -0.031) 2.951 5.064 ( -0.121 -2.699 -0.050) 2.702 5.138 ( 1.429 2.536 0.018) 2.911 5.189 ( 1.457 -2.874 -1.611) 3.602 5.279 ( -1.370 0.733 -0.931) 1.812 5.301 ( -0.282 -1.954 -0.197) 1.984 5.337 ( 0.807 0.886 -0.624) 1.351 5.352 ( 1.067 -0.615 0.143) 1.240 5.369 ( 0.469 1.542 -0.408) 1.663 5.409 ( -0.633 -2.725 0.088) 2.799 5.480 ( 0.377 4.226 -1.560) 4.520 5.553 ( 0.317 -3.401 -1.085) 3.584 5.578 ( 0.456 4.581 -0.968) 4.704 5.647 ( 0.575 -2.711 -2.793) 3.934 5.836 ( 2.797 0.874 -1.498) 3.291 5.864 ( 3.256 -1.720 -0.626) 3.735 5.902 ( 2.333 1.250 1.484) 3.035 5.926 ( 2.233 -1.056 2.289) 3.367 6.128 ( -0.662 0.995 4.853) 4.998 6.146 ( 1.070 -0.504 5.441) 5.569 6.178 ( -0.920 1.984 7.282) 7.603 6.212 ( -0.796 -1.600 6.348) 6.594 7.531 ( 0.661 0.559 -0.387) 0.948 7.543 ( 0.469 -0.778 -0.458) 1.017 7.574 ( 1.303 0.737 -0.079) 1.499 7.586 ( 2.288 -0.588 0.582) 2.433 8.011 ( 0.624 0.477 -0.115) 0.793 8.020 ( 1.113 -0.530 0.235) 1.255 8.060 ( 0.377 0.987 0.152) 1.067 8.068 ( -0.693 0.258 2.504) 2.611 8.099 ( -0.805 -0.324 -1.754) 1.957 8.104 ( -0.881 -0.762 -0.394) 1.230 8.276 ( -0.053 1.047 -0.629) 1.222 8.295 ( 0.486 -0.978 0.124) 1.099 8.468 ( -1.837 0.852 1.313) 2.413 8.486 ( -0.746 -0.985 1.328) 1.814 8.788 ( -1.423 0.514 -1.889) 2.420 8.796 ( -1.012 -0.342 -1.575) 1.902 8.979 ( 0.055 0.711 -0.267) 0.762 8.998 ( -0.255 -1.440 -1.004) 1.774 9.125 ( 0.485 3.355 -3.703) 5.020 9.181 ( 0.850 -2.686 -2.856) 4.012 9.247 ( -1.063 1.828 -6.359) 6.701 9.284 ( -1.038 -2.138 -8.612) 8.934 9.452 ( -3.690 1.672 -3.503) 5.355 9.483 ( -3.964 -1.640 -3.376) 5.459 ======================= Grid point 33 (21/50) ======================= q-point: (-0.29 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( -15.299 8.638 2.505) 17.747 1.000 ( -6.449 -17.414 7.441) 20.005 1.069 ( -17.615 16.476 -7.160) 25.160 1.294 ( -14.977 -8.351 4.204) 17.656 1.435 ( -20.650 5.660 8.776) 23.140 1.525 ( -0.927 0.684 0.338) 1.201 1.560 ( -7.877 6.068 5.591) 11.407 1.679 ( -4.315 -5.798 1.731) 7.432 1.710 ( 2.698 0.902 3.797) 4.745 1.741 ( 1.762 -2.234 0.941) 2.997 1.769 ( 2.058 4.290 -5.502) 7.275 1.777 ( -2.713 1.085 -0.719) 3.009 1.825 ( -2.231 0.228 -1.690) 2.809 1.867 ( 0.615 -4.808 -1.373) 5.038 1.902 ( 2.073 -1.037 -2.450) 3.373 1.938 ( 3.208 -2.685 -0.664) 4.236 1.952 ( 3.255 0.591 -0.742) 3.391 2.050 ( -1.371 -7.436 1.147) 7.648 2.067 ( 2.121 3.080 -1.576) 4.058 2.096 ( 1.532 3.110 -2.001) 4.003 2.123 ( 0.918 -2.637 1.209) 3.042 2.161 ( 0.354 -4.693 -0.885) 4.789 2.189 ( 1.996 1.792 2.113) 3.415 2.199 ( 3.858 0.205 0.768) 3.940 2.255 ( 2.529 -1.317 -0.488) 2.893 2.271 ( 0.890 -0.705 0.828) 1.406 2.297 ( -0.412 1.968 -0.795) 2.162 2.330 ( -0.877 0.078 -0.429) 0.980 2.341 ( -0.619 0.331 -1.592) 1.740 2.367 ( 3.405 -1.772 -4.154) 5.657 2.384 ( 2.096 2.485 -1.216) 3.471 2.419 ( 2.021 -0.593 -1.283) 2.466 2.468 ( 2.709 -0.001 -7.188) 7.681 2.471 ( 2.755 0.023 -6.373) 6.943 2.521 ( -1.562 1.601 0.938) 2.426 2.545 ( -3.274 -0.729 0.558) 3.400 2.615 ( -2.317 1.232 0.217) 2.633 2.652 ( -2.485 1.372 -0.395) 2.866 2.662 ( -1.092 -2.115 0.470) 2.426 2.702 ( -0.949 -2.338 -0.198) 2.531 2.773 ( -1.725 4.521 -0.088) 4.840 2.800 ( -2.081 0.048 1.635) 2.647 2.859 ( -5.796 11.853 2.282) 13.390 3.040 ( -1.538 -3.546 -1.604) 4.185 3.072 ( -0.300 0.769 -4.180) 4.261 3.132 ( -1.701 -0.057 -1.114) 2.035 3.139 ( -4.170 -7.107 0.921) 8.291 3.166 ( -1.044 -3.434 -1.314) 3.822 3.257 ( 5.761 1.546 1.229) 6.090 3.273 ( 8.351 0.014 2.114) 8.615 3.406 ( 1.767 2.744 -3.244) 4.602 3.452 ( 1.096 -2.025 -1.912) 2.993 3.468 ( 0.933 0.674 0.101) 1.156 3.518 ( 1.640 -3.029 -0.189) 3.450 3.618 ( 0.399 3.808 -0.351) 3.844 3.666 ( 1.101 -1.308 -0.892) 1.928 4.663 ( 1.406 0.521 -2.680) 3.071 4.672 ( 1.162 -0.030 -2.943) 3.165 4.704 ( 0.956 1.591 -2.567) 3.168 4.733 ( 0.785 -1.282 -2.639) 3.037 4.904 ( -1.442 4.758 -1.370) 5.157 4.963 ( -0.049 -1.793 -1.555) 2.374 5.025 ( 2.348 1.344 0.867) 2.841 5.070 ( 1.054 -3.108 0.875) 3.396 5.164 ( 1.313 2.262 -0.038) 2.615 5.206 ( 1.076 -2.200 -1.175) 2.716 5.261 ( 0.210 2.240 -0.954) 2.443 5.304 ( 0.430 -2.002 -0.702) 2.165 5.336 ( 0.156 1.038 -0.411) 1.127 5.369 ( 0.296 -1.848 -0.847) 2.054 5.379 ( 0.891 0.863 -0.495) 1.335 5.404 ( 0.528 -1.899 -0.224) 1.984 5.488 ( 1.738 3.395 -1.383) 4.057 5.555 ( 0.844 -3.720 -1.072) 3.962 5.587 ( 1.642 4.226 -2.079) 4.988 5.641 ( 0.886 -1.896 -2.710) 3.424 5.863 ( 2.079 1.568 -2.658) 3.721 5.891 ( 1.396 -1.264 -2.601) 3.211 5.977 ( 2.463 0.955 3.792) 4.622 6.002 ( 2.410 -1.195 3.169) 4.157 6.125 ( -2.478 3.076 3.925) 5.568 6.193 ( 0.798 -4.071 4.111) 5.840 6.261 ( 2.572 2.284 8.569) 9.234 6.288 ( 3.796 -0.213 7.473) 8.384 7.537 ( 0.181 0.506 -0.179) 0.566 7.550 ( 0.597 -0.974 -0.232) 1.166 7.604 ( 1.789 2.203 0.526) 2.887 7.644 ( 3.141 -2.244 1.305) 4.075 8.020 ( 0.398 1.413 0.155) 1.476 8.040 ( 0.799 -0.649 -0.120) 1.036 8.060 ( 0.201 1.306 -1.607) 2.080 8.078 ( -0.261 0.564 3.770) 3.821 8.084 ( 0.453 -0.641 -1.600) 1.782 8.103 ( -0.081 -1.741 3.750) 4.135 8.288 ( 1.534 2.010 0.051) 2.529 8.318 ( 1.194 -1.261 0.907) 1.959 8.448 ( -1.166 2.258 1.807) 3.118 8.496 ( 1.115 -2.784 1.741) 3.468 8.732 ( -3.310 2.078 -1.327) 4.128 8.766 ( -1.335 -1.609 0.388) 2.127 8.969 ( -1.181 0.491 -3.653) 3.870 8.978 ( -0.555 -0.507 -0.775) 1.080 9.057 ( -3.845 2.030 -6.555) 7.866 9.109 ( -4.468 -3.763 -11.198) 12.630 9.202 ( 0.984 1.313 -7.378) 7.559 9.221 ( 1.498 -1.040 -3.636) 4.068 9.370 ( -2.274 1.845 -1.958) 3.522 9.401 ( -2.284 -1.538 -1.419) 3.098 ======================= Grid point 34 (22/50) ======================= q-point: (-0.14 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.630 ( -7.456 21.669 6.475) 23.813 0.718 ( -11.978 22.268 5.917) 25.968 0.999 ( -9.106 -14.035 13.725) 21.640 1.036 ( -12.114 -18.569 0.450) 22.176 1.073 ( -25.062 11.199 19.691) 33.783 1.426 ( -8.328 -15.905 9.055) 20.108 1.471 ( -10.485 4.925 8.487) 14.361 1.636 ( -0.347 -1.820 5.155) 5.478 1.686 ( -5.428 3.346 -0.111) 6.377 1.730 ( 0.851 6.502 -0.588) 6.583 1.754 ( 1.493 2.015 -0.911) 2.668 1.829 ( 4.133 -3.275 -1.224) 5.413 1.859 ( -0.002 -7.797 -0.801) 7.838 1.886 ( 4.288 -3.714 1.327) 5.826 1.935 ( 3.024 -1.027 1.393) 3.484 1.971 ( 1.953 -1.520 -2.404) 3.450 1.982 ( 1.324 -1.180 -1.398) 2.258 2.026 ( -1.487 -4.696 -0.530) 4.954 2.091 ( 1.327 5.637 0.486) 5.811 2.127 ( -0.245 3.848 -1.637) 4.189 2.152 ( 3.935 0.536 -0.184) 3.976 2.198 ( 0.555 -0.325 0.468) 0.795 2.205 ( -0.716 0.911 -1.772) 2.118 2.220 ( 0.650 1.024 -1.898) 2.252 2.252 ( -1.159 -0.798 -0.385) 1.459 2.300 ( 1.697 -4.996 -0.749) 5.329 2.322 ( 0.317 0.023 2.115) 2.139 2.339 ( 1.416 -0.796 1.833) 2.449 2.350 ( 2.439 1.524 -1.747) 3.365 2.375 ( 0.744 -0.578 -4.042) 4.151 2.435 ( 2.322 3.181 -1.109) 4.091 2.453 ( 1.749 0.589 -1.462) 2.355 2.465 ( -0.422 0.149 -1.512) 1.577 2.477 ( -1.221 1.936 0.195) 2.297 2.488 ( 2.239 -0.905 -1.156) 2.677 2.517 ( -0.909 -1.317 0.544) 1.690 2.587 ( 0.475 2.993 -1.196) 3.258 2.613 ( -1.644 4.242 0.845) 4.627 2.636 ( -0.822 -2.521 -1.020) 2.841 2.679 ( -1.339 -3.312 0.134) 3.575 2.758 ( -3.544 3.407 1.821) 5.242 2.764 ( -0.512 5.421 2.051) 5.819 2.802 ( -3.353 6.852 2.441) 8.009 2.996 ( -0.760 -0.938 -1.954) 2.297 3.041 ( -0.019 -5.731 -1.762) 5.995 3.055 ( -1.823 -5.704 -2.342) 6.430 3.121 ( -0.729 0.574 2.135) 2.327 3.158 ( 0.772 -3.423 0.373) 3.529 3.325 ( 2.796 4.422 -1.462) 5.432 3.386 ( 2.191 -2.021 -2.666) 3.999 3.426 ( 3.773 0.554 -2.857) 4.765 3.467 ( 2.050 -3.761 0.053) 4.284 3.498 ( 1.178 1.402 0.644) 1.941 3.539 ( 0.731 -1.643 0.853) 1.990 3.630 ( 2.616 3.855 -3.908) 6.081 3.674 ( 1.527 -0.784 -3.445) 3.849 4.681 ( 1.746 0.416 -1.060) 2.085 4.683 ( 1.709 0.350 -0.894) 1.960 4.709 ( 1.483 1.632 -2.173) 3.096 4.738 ( 1.451 -1.366 -1.420) 2.447 4.886 ( 1.407 5.663 -3.563) 6.837 4.942 ( -0.252 -1.524 -1.944) 2.483 5.091 ( 3.916 1.573 0.893) 4.313 5.115 ( 2.795 -0.480 0.013) 2.836 5.187 ( 1.219 0.835 0.441) 1.542 5.209 ( 0.376 -1.454 -0.859) 1.730 5.263 ( 0.764 3.419 -1.911) 3.991 5.288 ( -0.686 1.106 -0.699) 1.477 5.355 ( -0.409 -1.770 0.339) 1.848 5.363 ( 1.928 -2.405 -0.251) 3.093 5.391 ( 0.598 1.107 0.705) 1.442 5.419 ( 1.367 -2.375 -1.452) 3.101 5.518 ( 1.892 2.220 -0.229) 2.926 5.563 ( 0.523 -2.814 -0.733) 2.954 5.605 ( 2.679 2.910 -3.714) 5.426 5.636 ( 1.086 -0.845 -3.340) 3.612 5.876 ( 1.468 1.198 -1.963) 2.728 5.892 ( 0.757 -0.418 -1.511) 1.741 6.006 ( -3.232 -0.177 4.057) 5.190 6.019 ( -3.037 -1.365 3.002) 4.483 6.119 ( 0.214 6.012 0.245) 6.021 6.223 ( 0.420 -5.204 -0.540) 5.249 6.342 ( 1.442 5.882 -2.031) 6.387 6.439 ( 5.548 -4.714 0.558) 7.301 7.538 ( 0.255 1.244 -0.337) 1.313 7.560 ( 0.738 -1.203 -0.618) 1.541 7.631 ( 0.141 2.423 -0.322) 2.448 7.682 ( -0.498 -3.387 -2.183) 4.060 8.017 ( -0.571 1.564 -0.966) 1.925 8.034 ( -0.464 0.187 -1.560) 1.638 8.053 ( -0.342 -0.144 -0.758) 0.844 8.063 ( -0.580 -0.725 -2.210) 2.397 8.144 ( 2.211 1.349 7.773) 8.193 8.192 ( 3.358 -4.516 9.755) 11.262 8.329 ( 1.621 0.874 1.729) 2.526 8.340 ( 1.015 -0.302 1.396) 1.752 8.473 ( 3.134 4.464 2.294) 5.917 8.543 ( 1.836 -3.631 0.282) 4.079 8.638 ( -5.312 2.514 -4.217) 7.233 8.696 ( -10.731 -4.444 -9.872) 15.244 8.890 ( -0.715 0.252 -2.767) 2.869 8.895 ( 0.852 -0.320 -0.208) 0.934 8.989 ( -0.398 0.043 1.032) 1.107 8.989 ( -0.833 -0.027 0.431) 0.938 9.201 ( 2.899 3.141 -2.200) 4.807 9.242 ( 2.786 -1.889 -1.858) 3.845 9.359 ( 0.800 2.687 2.718) 3.905 9.398 ( 1.286 -1.759 3.635) 4.238 ======================= Grid point 42 (23/50) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( 5.690 0.000 21.930) 22.656 1.025 ( -4.961 0.000 22.283) 22.828 1.181 ( -6.215 0.000 0.544) 6.238 1.181 ( -5.706 0.000 2.000) 6.046 1.355 ( -6.608 0.000 20.602) 21.636 1.384 ( -14.287 0.000 12.489) 18.976 1.418 ( -3.732 0.000 20.427) 20.765 1.666 ( 1.659 0.000 -6.839) 7.037 1.718 ( 4.204 0.000 3.664) 5.576 1.798 ( 0.059 0.000 -2.368) 2.369 1.836 ( -1.846 0.000 -8.181) 8.387 1.886 ( 1.493 0.000 -3.757) 4.043 1.919 ( -2.306 0.000 1.134) 2.570 1.926 ( -1.352 0.000 -1.902) 2.333 1.975 ( -3.405 0.000 0.324) 3.421 1.988 ( -0.006 0.000 -0.534) 0.534 2.019 ( 1.888 0.000 -2.469) 3.108 2.071 ( 2.478 0.000 -1.085) 2.705 2.077 ( 5.664 0.000 2.668) 6.261 2.107 ( 1.816 0.000 -1.137) 2.142 2.123 ( 0.169 0.000 2.259) 2.266 2.183 ( -3.128 0.000 -2.175) 3.810 2.183 ( -1.986 0.000 -0.059) 1.987 2.189 ( -0.198 0.000 -0.059) 0.207 2.274 ( 4.283 0.000 -3.074) 5.273 2.303 ( -0.875 0.000 2.211) 2.378 2.314 ( -1.502 0.000 0.699) 1.656 2.344 ( 1.812 0.000 1.106) 2.123 2.364 ( -1.798 0.000 2.141) 2.796 2.403 ( -1.261 0.000 0.417) 1.328 2.409 ( -0.524 0.000 2.213) 2.274 2.452 ( 3.896 0.000 -0.395) 3.916 2.501 ( 2.518 0.000 7.967) 8.355 2.519 ( -0.219 0.000 4.146) 4.152 2.552 ( 2.375 0.000 -2.561) 3.493 2.572 ( -2.700 0.000 3.825) 4.682 2.586 ( 4.886 0.000 1.526) 5.118 2.635 ( 2.455 0.000 4.092) 4.772 2.658 ( 3.916 0.000 1.704) 4.271 2.680 ( -3.359 0.000 0.671) 3.426 2.718 ( -3.774 0.000 -0.672) 3.833 2.756 ( 0.649 0.000 1.910) 2.017 2.798 ( 0.590 0.000 2.837) 2.897 3.051 ( 5.442 0.000 -0.454) 5.461 3.088 ( -0.045 0.000 -1.197) 1.198 3.102 ( 1.003 0.000 -2.208) 2.425 3.141 ( 0.413 0.000 0.501) 0.649 3.266 ( 3.834 0.000 -7.299) 8.245 3.285 ( 0.817 0.000 2.613) 2.738 3.286 ( 1.623 0.000 -5.723) 5.949 3.358 ( -0.531 0.000 -2.435) 2.492 3.463 ( 1.082 0.000 -5.231) 5.341 3.487 ( 1.782 0.000 -0.613) 1.885 3.547 ( 0.003 0.000 -0.632) 0.632 3.557 ( 1.436 0.000 -2.839) 3.182 3.574 ( 0.827 0.000 -4.089) 4.172 4.605 ( 2.338 0.000 -1.196) 2.627 4.683 ( 2.030 0.000 -1.328) 2.425 4.711 ( -0.123 0.000 -1.084) 1.091 4.714 ( -0.351 0.000 -4.013) 4.029 4.879 ( 0.578 0.000 2.549) 2.614 4.957 ( 2.791 0.000 -3.009) 4.104 5.040 ( 0.572 0.000 -3.339) 3.388 5.099 ( -0.204 0.000 -1.615) 1.628 5.207 ( 1.749 0.000 0.655) 1.868 5.224 ( -0.523 0.000 1.072) 1.193 5.264 ( 0.968 0.000 1.549) 1.827 5.301 ( 2.200 0.000 1.416) 2.616 5.378 ( 0.917 0.000 -0.661) 1.130 5.396 ( -0.666 0.000 0.255) 0.713 5.404 ( -1.294 0.000 0.904) 1.578 5.498 ( 0.996 0.000 1.928) 2.170 5.506 ( 0.843 0.000 -3.446) 3.548 5.545 ( 0.629 0.000 0.079) 0.634 5.563 ( 1.354 0.000 0.002) 1.354 5.612 ( 0.352 0.000 -0.581) 0.679 5.873 ( 2.639 0.000 -1.658) 3.116 5.889 ( -0.055 0.000 -1.495) 1.496 5.951 ( -4.915 0.000 2.610) 5.565 6.039 ( -5.050 0.000 -0.086) 5.051 6.059 ( 1.437 0.000 -0.646) 1.576 6.078 ( -3.295 0.000 1.557) 3.644 6.202 ( -0.552 0.000 -3.525) 3.568 6.213 ( -8.059 0.000 -6.447) 10.321 7.523 ( -0.177 0.000 0.388) 0.427 7.548 ( -1.085 0.000 -0.788) 1.341 7.549 ( -0.363 0.000 -0.938) 1.006 7.596 ( -0.999 0.000 -1.683) 1.957 7.978 ( -1.587 0.000 -0.438) 1.646 7.993 ( 0.832 0.000 -0.451) 0.946 8.003 ( 1.224 0.000 -1.805) 2.180 8.013 ( -1.751 0.000 -1.098) 2.067 8.312 ( -4.466 0.000 2.386) 5.064 8.328 ( 3.858 0.000 0.553) 3.897 8.362 ( 2.298 0.000 0.609) 2.377 8.368 ( -5.513 0.000 2.217) 5.942 8.461 ( -2.007 0.000 2.518) 3.220 8.519 ( -2.794 0.000 0.533) 2.845 8.567 ( 5.370 0.000 0.106) 5.371 8.589 ( 6.189 0.000 -0.957) 6.263 8.965 ( 2.024 0.000 2.267) 3.039 9.034 ( 0.759 0.000 1.108) 1.344 9.036 ( 1.929 0.000 1.451) 2.414 9.159 ( 1.819 0.000 -3.033) 3.537 9.209 ( 1.805 0.000 1.615) 2.422 9.261 ( 2.408 0.000 -1.172) 2.679 9.557 ( 2.847 0.000 6.340) 6.950 9.680 ( 7.198 0.000 0.907) 7.255 ======================= Grid point 43 (24/50) ======================= q-point: ( 0.14 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( -3.671 0.000 18.737) 19.093 1.111 ( -1.648 0.000 6.393) 6.602 1.166 ( -2.729 0.000 8.437) 8.868 1.262 ( -0.154 0.000 10.735) 10.736 1.312 ( 4.312 0.000 16.604) 17.154 1.322 ( -5.500 0.000 13.296) 14.389 1.646 ( 0.804 0.000 -5.530) 5.588 1.662 ( 3.661 0.000 6.836) 7.754 1.743 ( 0.976 0.000 -9.638) 9.688 1.754 ( -1.970 0.000 -4.123) 4.570 1.812 ( 1.757 0.000 4.251) 4.600 1.842 ( -3.253 0.000 -3.571) 4.831 1.868 ( -2.993 0.000 1.775) 3.479 1.887 ( 0.561 0.000 -3.767) 3.809 1.897 ( -5.270 0.000 3.220) 6.176 1.986 ( -2.222 0.000 -3.870) 4.462 1.991 ( -1.942 0.000 -0.276) 1.962 2.043 ( -2.616 0.000 -7.713) 8.144 2.064 ( -0.952 0.000 1.797) 2.033 2.114 ( -1.007 0.000 -1.016) 1.431 2.147 ( -0.767 0.000 3.590) 3.671 2.165 ( -1.704 0.000 0.153) 1.711 2.171 ( 2.995 0.000 0.591) 3.053 2.205 ( -1.071 0.000 -5.315) 5.422 2.242 ( 3.410 0.000 3.849) 5.142 2.273 ( -3.179 0.000 0.609) 3.236 2.322 ( -3.168 0.000 0.772) 3.260 2.340 ( -2.390 0.000 -1.329) 2.735 2.370 ( -1.401 0.000 3.117) 3.418 2.392 ( -3.739 0.000 1.424) 4.001 2.474 ( 5.342 0.000 2.348) 5.835 2.495 ( -2.331 0.000 -0.947) 2.516 2.517 ( 3.069 0.000 -0.564) 3.121 2.549 ( 0.427 0.000 -0.323) 0.535 2.582 ( 2.723 0.000 1.667) 3.193 2.599 ( -1.371 0.000 1.930) 2.368 2.617 ( -0.276 0.000 -1.934) 1.954 2.661 ( 1.317 0.000 5.818) 5.965 2.709 ( 3.128 0.000 1.305) 3.389 2.761 ( 5.436 0.000 6.012) 8.105 2.777 ( 5.119 0.000 4.902) 7.087 2.795 ( 2.038 0.000 1.596) 2.589 2.827 ( 0.811 0.000 2.195) 2.340 3.083 ( 1.370 0.000 -3.148) 3.433 3.100 ( 1.459 0.000 -1.624) 2.183 3.110 ( 0.910 0.000 -3.493) 3.610 3.153 ( 1.782 0.000 1.940) 2.634 3.245 ( -5.134 0.000 -3.744) 6.354 3.246 ( -1.419 0.000 -5.197) 5.387 3.261 ( 2.364 0.000 -10.604) 10.864 3.350 ( -1.286 0.000 4.462) 4.644 3.430 ( -0.569 0.000 -2.434) 2.499 3.528 ( 1.912 0.000 -3.809) 4.262 3.542 ( -0.365 0.000 -5.731) 5.742 3.573 ( 2.403 0.000 0.025) 2.403 3.580 ( 3.245 0.000 0.924) 3.374 4.641 ( 2.002 0.000 -1.061) 2.265 4.672 ( 0.106 0.000 -4.458) 4.459 4.683 ( -0.817 0.000 -2.418) 2.552 4.717 ( 1.690 0.000 -0.662) 1.815 4.893 ( -0.055 0.000 -0.389) 0.393 4.979 ( 2.110 0.000 -2.958) 3.633 5.027 ( 0.245 0.000 -1.118) 1.145 5.075 ( -0.998 0.000 -0.958) 1.383 5.204 ( -2.318 0.000 0.181) 2.325 5.251 ( 1.836 0.000 1.375) 2.294 5.283 ( -0.102 0.000 -0.011) 0.103 5.331 ( 0.353 0.000 0.859) 0.929 5.363 ( -2.961 0.000 -0.298) 2.976 5.388 ( 0.288 0.000 -1.797) 1.820 5.408 ( 1.544 0.000 -0.660) 1.679 5.488 ( -1.139 0.000 -0.708) 1.341 5.500 ( -1.039 0.000 0.147) 1.049 5.540 ( -0.360 0.000 -0.761) 0.842 5.598 ( -0.447 0.000 -2.158) 2.204 5.605 ( 1.418 0.000 2.165) 2.588 5.818 ( -4.178 0.000 -2.431) 4.833 5.830 ( -2.858 0.000 -0.771) 2.960 5.979 ( -2.709 0.000 0.952) 2.871 5.991 ( -3.443 0.000 2.620) 4.326 6.003 ( 1.322 0.000 0.977) 1.643 6.045 ( -1.881 0.000 -0.482) 1.942 6.141 ( 2.763 0.000 2.042) 3.436 6.224 ( 2.730 0.000 0.702) 2.819 7.519 ( -0.667 0.000 -0.134) 0.681 7.532 ( -0.454 0.000 0.140) 0.476 7.533 ( -0.266 0.000 -0.620) 0.674 7.568 ( -0.933 0.000 -0.999) 1.367 7.956 ( -0.138 0.000 -0.862) 0.873 7.983 ( -0.557 0.000 -0.956) 1.106 8.011 ( 1.164 0.000 -0.353) 1.216 8.023 ( 1.671 0.000 0.132) 1.676 8.247 ( -3.872 0.000 1.343) 4.098 8.285 ( -5.101 0.000 1.161) 5.232 8.386 ( -1.506 0.000 1.930) 2.448 8.403 ( 2.677 0.000 0.919) 2.831 8.442 ( -2.357 0.000 2.132) 3.179 8.483 ( 0.313 0.000 0.098) 0.329 8.674 ( 5.379 0.000 -0.654) 5.419 8.680 ( 5.154 0.000 -1.989) 5.524 8.998 ( 0.050 0.000 1.721) 1.722 9.049 ( -0.018 0.000 0.578) 0.578 9.060 ( 0.552 0.000 -1.105) 1.235 9.148 ( 0.617 0.000 -4.194) 4.239 9.243 ( 1.091 0.000 -0.239) 1.117 9.287 ( 1.422 0.000 -1.178) 1.847 9.610 ( -0.928 0.000 2.490) 2.657 9.735 ( -0.183 0.000 -2.057) 2.065 ======================= Grid point 44 (25/50) ======================= q-point: ( 0.29 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( 6.235 0.000 9.400) 11.280 1.202 ( 2.772 0.000 3.761) 4.672 1.230 ( 5.240 0.000 13.052) 14.064 1.372 ( 4.546 0.000 7.651) 8.900 1.378 ( 1.801 0.000 9.596) 9.764 1.505 ( 1.192 0.000 4.270) 4.434 1.611 ( -2.602 0.000 -6.556) 7.054 1.622 ( 0.603 0.000 -3.795) 3.843 1.682 ( -2.723 0.000 -8.970) 9.375 1.694 ( -1.736 0.000 0.225) 1.751 1.756 ( -0.974 0.000 -1.151) 1.508 1.763 ( -3.582 0.000 0.543) 3.623 1.782 ( -5.711 0.000 -2.428) 6.206 1.838 ( -1.362 0.000 -6.503) 6.644 1.884 ( -2.676 0.000 -2.554) 3.699 1.910 ( -2.085 0.000 -5.765) 6.130 1.955 ( -2.223 0.000 1.116) 2.487 1.974 ( -0.684 0.000 -4.853) 4.901 2.053 ( -2.728 0.000 3.014) 4.065 2.063 ( 0.099 0.000 -3.749) 3.751 2.141 ( -2.369 0.000 -5.823) 6.287 2.161 ( 0.357 0.000 -1.118) 1.173 2.206 ( 2.410 0.000 4.806) 5.376 2.209 ( 0.854 0.000 -0.394) 0.940 2.240 ( -6.586 0.000 -0.881) 6.644 2.264 ( -2.311 0.000 -1.378) 2.691 2.274 ( 1.925 0.000 3.252) 3.779 2.319 ( -1.653 0.000 -2.494) 2.992 2.329 ( -3.127 0.000 0.019) 3.127 2.414 ( 4.452 0.000 8.899) 9.950 2.453 ( 1.621 0.000 0.975) 1.892 2.461 ( -2.709 0.000 -8.188) 8.625 2.521 ( -0.340 0.000 -1.053) 1.107 2.557 ( 0.294 0.000 0.252) 0.387 2.594 ( 0.978 0.000 4.612) 4.715 2.667 ( 3.196 0.000 -0.255) 3.206 2.670 ( 2.497 0.000 2.450) 3.499 2.729 ( 0.607 0.000 4.322) 4.364 2.753 ( 0.845 0.000 0.688) 1.089 2.821 ( -0.468 0.000 0.795) 0.923 2.838 ( 0.055 0.000 0.673) 0.676 2.883 ( 0.726 0.000 3.931) 3.997 2.924 ( 5.064 0.000 5.948) 7.811 3.040 ( -3.715 0.000 -2.292) 4.365 3.070 ( -2.407 0.000 -4.112) 4.765 3.107 ( 0.494 0.000 -2.828) 2.871 3.139 ( -2.054 0.000 -9.210) 9.437 3.147 ( -0.661 0.000 -1.456) 1.599 3.206 ( 0.995 0.000 -3.286) 3.433 3.274 ( 4.008 0.000 3.137) 5.090 3.334 ( -3.279 0.000 3.439) 4.752 3.406 ( -0.471 0.000 -1.885) 1.943 3.483 ( -0.941 0.000 -5.562) 5.641 3.516 ( 0.241 0.000 -3.040) 3.050 3.617 ( 1.837 0.000 1.039) 2.111 3.648 ( 1.861 0.000 2.477) 3.098 4.627 ( -0.674 0.000 -2.775) 2.856 4.643 ( 0.292 0.000 -4.877) 4.885 4.685 ( 1.290 0.000 -1.213) 1.770 4.735 ( 0.769 0.000 -1.195) 1.421 4.886 ( 0.516 0.000 -1.257) 1.359 4.991 ( 1.435 0.000 -2.681) 3.041 5.027 ( -0.310 0.000 0.018) 0.310 5.056 ( -0.445 0.000 -0.601) 0.748 5.153 ( -2.719 0.000 0.217) 2.728 5.231 ( -3.178 0.000 -3.359) 4.624 5.284 ( 1.063 0.000 0.206) 1.083 5.333 ( -0.754 0.000 0.085) 0.759 5.339 ( 0.271 0.000 0.932) 0.971 5.379 ( -0.685 0.000 -0.598) 0.910 5.391 ( -2.017 0.000 -1.135) 2.315 5.454 ( -1.960 0.000 -0.058) 1.961 5.476 ( -0.945 0.000 -0.633) 1.138 5.530 ( -1.054 0.000 0.761) 1.300 5.582 ( 1.448 0.000 -4.562) 4.786 5.626 ( -0.979 0.000 1.523) 1.811 5.770 ( 0.384 0.000 -0.114) 0.401 5.803 ( -0.090 0.000 -0.393) 0.403 5.898 ( -2.502 0.000 -0.529) 2.557 5.923 ( -3.543 0.000 1.715) 3.936 6.093 ( 2.829 0.000 4.198) 5.062 6.093 ( 3.472 0.000 3.857) 5.190 6.208 ( 1.571 0.000 4.091) 4.382 6.280 ( 1.423 0.000 3.040) 3.357 7.504 ( -0.358 0.000 -0.424) 0.555 7.531 ( 0.242 0.000 0.000) 0.242 7.533 ( 0.498 0.000 -0.421) 0.652 7.548 ( -0.536 0.000 -0.760) 0.930 7.961 ( 1.235 0.000 -0.725) 1.432 7.981 ( 0.859 0.000 -0.584) 1.039 8.025 ( 0.659 0.000 -0.560) 0.865 8.057 ( 1.320 0.000 0.954) 1.629 8.191 ( -2.977 0.000 0.748) 3.069 8.202 ( -4.455 0.000 0.399) 4.473 8.344 ( -3.381 0.000 0.276) 3.392 8.366 ( -4.021 0.000 0.031) 4.021 8.476 ( 2.023 0.000 1.912) 2.784 8.516 ( 1.182 0.000 1.729) 2.094 8.738 ( 3.360 0.000 -2.539) 4.211 8.745 ( 3.297 0.000 -2.573) 4.182 8.994 ( -1.257 0.000 0.591) 1.389 9.043 ( -0.858 0.000 0.249) 0.894 9.045 ( -0.132 0.000 -3.326) 3.329 9.132 ( 1.169 0.000 -4.187) 4.347 9.238 ( -0.326 0.000 -3.018) 3.035 9.288 ( 0.274 0.000 -3.222) 3.233 9.566 ( -3.958 0.000 -1.316) 4.171 9.667 ( -4.410 0.000 -3.431) 5.587 ======================= Grid point 45 (26/50) ======================= q-point: (-0.57 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( -4.707 0.000 -3.380) 5.795 1.340 ( -0.695 0.000 -0.707) 0.991 1.422 ( 0.694 0.000 0.726) 1.004 1.424 ( 2.565 0.000 -0.078) 2.566 1.450 ( 1.132 0.000 6.969) 7.060 1.482 ( 0.463 0.000 -7.757) 7.771 1.556 ( -3.340 0.000 1.168) 3.539 1.581 ( 7.422 0.000 -2.020) 7.692 1.612 ( -1.936 0.000 -4.351) 4.762 1.660 ( 5.372 0.000 1.007) 5.466 1.684 ( 2.499 0.000 -1.509) 2.919 1.734 ( -0.280 0.000 -1.650) 1.673 1.801 ( 1.044 0.000 -3.424) 3.580 1.814 ( -1.347 0.000 -4.576) 4.770 1.862 ( 2.902 0.000 -1.647) 3.336 1.892 ( 5.560 0.000 2.357) 6.039 1.921 ( -2.437 0.000 3.342) 4.136 1.923 ( 0.611 0.000 -2.579) 2.651 2.008 ( -2.547 0.000 0.408) 2.579 2.050 ( -4.225 0.000 -1.482) 4.477 2.076 ( 2.094 0.000 -2.573) 3.318 2.127 ( -2.204 0.000 -1.460) 2.644 2.127 ( -1.076 0.000 -3.574) 3.733 2.227 ( 2.079 0.000 -7.149) 7.445 2.246 ( 1.020 0.000 -0.261) 1.053 2.249 ( -0.199 0.000 -1.752) 1.763 2.282 ( 0.179 0.000 -1.780) 1.789 2.308 ( -0.995 0.000 1.561) 1.851 2.318 ( -0.177 0.000 1.693) 1.703 2.349 ( -0.860 0.000 -8.613) 8.656 2.392 ( -1.669 0.000 -0.691) 1.806 2.481 ( -2.897 0.000 -1.644) 3.331 2.527 ( -3.088 0.000 3.856) 4.940 2.577 ( 1.303 0.000 1.504) 1.990 2.663 ( -13.948 0.000 1.749) 14.057 2.677 ( -1.454 0.000 -0.051) 1.454 2.721 ( 2.684 0.000 -0.126) 2.687 2.739 ( -0.908 0.000 2.335) 2.506 2.748 ( -1.527 0.000 0.291) 1.554 2.773 ( 5.421 0.000 7.698) 9.415 2.809 ( -2.369 0.000 -2.114) 3.175 2.907 ( 4.333 0.000 1.517) 4.590 2.954 ( -8.090 0.000 0.331) 8.096 2.975 ( -8.202 0.000 -3.669) 8.985 3.040 ( 2.778 0.000 1.760) 3.289 3.041 ( 1.330 0.000 0.570) 1.446 3.129 ( 1.959 0.000 -0.903) 2.157 3.153 ( 1.241 0.000 -0.788) 1.470 3.200 ( 1.664 0.000 -3.785) 4.135 3.299 ( -2.704 0.000 2.190) 3.480 3.356 ( 3.103 0.000 -3.316) 4.541 3.392 ( 0.311 0.000 -2.000) 2.024 3.458 ( 1.031 0.000 2.160) 2.394 3.500 ( -0.176 0.000 -1.401) 1.412 3.648 ( 0.536 0.000 1.005) 1.139 3.673 ( -1.078 0.000 2.551) 2.770 4.603 ( 0.309 0.000 -3.047) 3.063 4.608 ( 0.101 0.000 -4.958) 4.960 4.684 ( -0.022 0.000 -1.691) 1.691 4.723 ( -0.295 0.000 -2.526) 2.544 4.905 ( 2.148 0.000 -0.260) 2.163 4.989 ( 0.470 0.000 -1.639) 1.705 4.998 ( -2.771 0.000 -0.696) 2.857 5.052 ( 0.804 0.000 -2.089) 2.239 5.128 ( -0.657 0.000 1.433) 1.577 5.174 ( -0.639 0.000 -1.151) 1.316 5.284 ( -0.973 0.000 -1.802) 2.048 5.315 ( -0.367 0.000 -0.168) 0.404 5.352 ( -1.126 0.000 -0.103) 1.130 5.353 ( -0.670 0.000 0.270) 0.722 5.362 ( 0.223 0.000 0.837) 0.866 5.426 ( -1.007 0.000 -0.440) 1.099 5.462 ( -0.069 0.000 -1.065) 1.067 5.510 ( -1.406 0.000 0.346) 1.448 5.578 ( 2.076 0.000 -4.859) 5.284 5.602 ( -1.733 0.000 0.152) 1.740 5.796 ( -0.075 0.000 -0.564) 0.569 5.815 ( 3.467 0.000 0.907) 3.584 5.894 ( -1.246 0.000 1.611) 2.037 5.905 ( 2.253 0.000 1.225) 2.564 6.172 ( 1.703 0.000 4.053) 4.396 6.183 ( 2.915 0.000 5.245) 6.000 6.257 ( 0.131 0.000 5.494) 5.495 6.313 ( -0.560 0.000 4.076) 4.114 7.505 ( 0.666 0.000 -0.085) 0.671 7.536 ( 0.342 0.000 -0.451) 0.566 7.540 ( 0.689 0.000 -0.846) 1.091 7.548 ( 1.507 0.000 -0.431) 1.568 7.983 ( 1.396 0.000 -0.508) 1.485 8.002 ( 1.658 0.000 0.012) 1.658 8.024 ( -0.046 0.000 -1.372) 1.373 8.074 ( 0.293 0.000 -1.283) 1.316 8.139 ( -2.872 0.000 1.787) 3.383 8.161 ( -1.442 0.000 2.406) 2.805 8.279 ( -2.759 0.000 -1.313) 3.056 8.310 ( -1.545 0.000 -0.398) 1.595 8.513 ( -0.027 0.000 2.847) 2.847 8.536 ( -0.804 0.000 2.585) 2.707 8.757 ( 0.995 0.000 -2.979) 3.141 8.766 ( 1.640 0.000 -2.888) 3.321 8.970 ( -0.953 0.000 -1.083) 1.443 9.017 ( 0.586 0.000 -4.646) 4.683 9.024 ( -1.277 0.000 -0.249) 1.301 9.120 ( 0.902 0.000 -5.850) 5.919 9.191 ( -1.439 0.000 -4.339) 4.571 9.247 ( -1.322 0.000 -4.317) 4.515 9.466 ( -4.569 0.000 -3.333) 5.655 9.544 ( -5.320 0.000 -4.215) 6.787 ======================= Grid point 46 (27/50) ======================= q-point: (-0.43 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( -13.598 0.000 -0.307) 13.601 1.046 ( -17.419 0.000 -9.812) 19.993 1.365 ( -2.106 0.000 -4.960) 5.388 1.393 ( 0.054 0.000 -1.900) 1.901 1.492 ( -2.258 0.000 5.035) 5.518 1.555 ( 5.980 0.000 -7.456) 9.558 1.633 ( 6.790 0.000 0.400) 6.802 1.677 ( 5.916 0.000 4.221) 7.268 1.705 ( 6.059 0.000 1.413) 6.222 1.738 ( -1.962 0.000 0.891) 2.155 1.740 ( 1.940 0.000 -0.839) 2.114 1.745 ( 1.509 0.000 -2.871) 3.243 1.772 ( -0.121 0.000 -1.741) 1.746 1.868 ( -3.369 0.000 -0.977) 3.508 1.869 ( 7.953 0.000 2.789) 8.428 1.920 ( 2.515 0.000 -2.239) 3.367 1.927 ( 2.500 0.000 4.081) 4.786 2.018 ( 4.313 0.000 -0.495) 4.341 2.021 ( 3.188 0.000 1.024) 3.348 2.046 ( 7.139 0.000 -0.359) 7.148 2.094 ( -1.192 0.000 -0.783) 1.426 2.129 ( 4.502 0.000 2.977) 5.397 2.154 ( 3.553 0.000 -1.168) 3.740 2.203 ( -1.370 0.000 -5.786) 5.946 2.203 ( -2.189 0.000 -2.394) 3.244 2.222 ( 0.559 0.000 -5.053) 5.084 2.239 ( 2.045 0.000 -11.734) 11.911 2.252 ( -3.105 0.000 -3.665) 4.804 2.322 ( 0.142 0.000 0.089) 0.168 2.333 ( -1.146 0.000 0.420) 1.221 2.357 ( -1.676 0.000 0.226) 1.691 2.404 ( -9.039 0.000 1.851) 9.227 2.414 ( -2.491 0.000 -1.716) 3.025 2.529 ( -2.609 0.000 4.209) 4.952 2.592 ( -1.427 0.000 2.934) 3.262 2.636 ( -2.800 0.000 -0.946) 2.956 2.708 ( -3.801 0.000 -0.378) 3.820 2.722 ( -2.576 0.000 0.258) 2.589 2.745 ( -3.103 0.000 2.629) 4.067 2.748 ( -2.089 0.000 -1.012) 2.321 2.765 ( -8.787 0.000 1.545) 8.922 2.818 ( -4.346 0.000 1.574) 4.622 2.839 ( -1.444 0.000 0.239) 1.464 3.029 ( -0.500 0.000 0.731) 0.886 3.036 ( -0.857 0.000 -2.558) 2.698 3.107 ( 6.105 0.000 2.661) 6.660 3.164 ( 0.583 0.000 -1.411) 1.527 3.171 ( 2.549 0.000 0.616) 2.622 3.221 ( 3.875 0.000 -2.502) 4.613 3.274 ( -1.600 0.000 2.001) 2.562 3.347 ( 0.808 0.000 -5.527) 5.585 3.401 ( 1.658 0.000 -0.694) 1.797 3.483 ( -0.935 0.000 -0.420) 1.025 3.516 ( 1.139 0.000 4.205) 4.356 3.647 ( -0.460 0.000 -1.275) 1.355 3.654 ( -2.843 0.000 2.238) 3.618 4.587 ( 1.487 0.000 -3.501) 3.804 4.588 ( 0.720 0.000 -3.657) 3.727 4.671 ( 0.105 0.000 -1.394) 1.398 4.700 ( 0.257 0.000 -2.538) 2.551 4.923 ( -3.402 0.000 -1.145) 3.590 4.954 ( 2.069 0.000 0.465) 2.120 4.988 ( -0.023 0.000 -0.800) 0.801 5.050 ( 1.577 0.000 -3.035) 3.420 5.143 ( 0.587 0.000 2.132) 2.211 5.185 ( 1.401 0.000 0.604) 1.525 5.242 ( -1.409 0.000 -2.179) 2.594 5.302 ( -0.565 0.000 -1.779) 1.866 5.345 ( 0.049 0.000 0.449) 0.452 5.357 ( 1.121 0.000 0.777) 1.363 5.378 ( 0.464 0.000 0.671) 0.816 5.413 ( 0.082 0.000 -0.047) 0.094 5.452 ( -0.318 0.000 -0.953) 1.004 5.493 ( -0.406 0.000 -0.215) 0.459 5.579 ( -0.450 0.000 -0.642) 0.784 5.588 ( 2.293 0.000 -3.415) 4.113 5.797 ( 0.459 0.000 -0.520) 0.694 5.866 ( 0.708 0.000 -0.448) 0.838 5.916 ( 3.231 0.000 0.844) 3.340 5.968 ( 3.442 0.000 0.483) 3.475 6.201 ( -1.804 0.000 3.223) 3.694 6.251 ( 0.706 0.000 3.063) 3.144 6.324 ( 2.608 0.000 6.823) 7.305 6.330 ( -0.675 0.000 3.951) 4.008 7.521 ( 0.858 0.000 -0.092) 0.863 7.544 ( 0.547 0.000 -1.097) 1.226 7.546 ( 1.217 0.000 -0.528) 1.326 7.588 ( 3.369 0.000 -1.246) 3.592 7.996 ( 0.575 0.000 -0.434) 0.721 8.010 ( 0.102 0.000 -1.708) 1.711 8.031 ( 1.312 0.000 -0.325) 1.352 8.056 ( 0.075 0.000 -2.641) 2.642 8.128 ( -0.769 0.000 3.516) 3.599 8.178 ( 0.513 0.000 4.531) 4.560 8.244 ( -0.041 0.000 -1.069) 1.070 8.312 ( 1.711 0.000 -0.079) 1.713 8.512 ( -2.674 0.000 3.737) 4.595 8.536 ( -0.841 0.000 2.725) 2.852 8.733 ( -1.274 0.000 -2.808) 3.083 8.774 ( 1.396 0.000 -1.085) 1.768 8.937 ( -1.476 0.000 -3.635) 3.923 8.987 ( -0.540 0.000 -7.194) 7.215 8.997 ( -0.768 0.000 -0.278) 0.817 9.048 ( -2.325 0.000 -7.926) 8.260 9.145 ( -0.589 0.000 -1.719) 1.817 9.203 ( -0.446 0.000 -1.987) 2.037 9.372 ( -2.982 0.000 -2.145) 3.674 9.437 ( -2.847 0.000 -2.803) 3.995 ======================= Grid point 47 (28/50) ======================= q-point: (-0.29 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( -11.974 0.000 5.921) 13.358 0.821 ( -11.701 0.000 10.361) 15.629 1.333 ( -0.214 0.000 -0.545) 0.585 1.403 ( 1.556 0.000 -1.499) 2.160 1.488 ( -3.108 0.000 6.235) 6.966 1.600 ( -7.549 0.000 -2.018) 7.814 1.602 ( 3.069 0.000 -3.537) 4.683 1.647 ( -7.279 0.000 6.110) 9.503 1.734 ( -8.952 0.000 12.443) 15.328 1.739 ( 3.772 0.000 -0.827) 3.861 1.798 ( 5.868 0.000 -1.826) 6.145 1.828 ( 3.423 0.000 1.299) 3.661 1.875 ( 2.668 0.000 -3.996) 4.805 1.897 ( 5.256 0.000 4.781) 7.105 1.920 ( 0.618 0.000 1.189) 1.340 1.955 ( -5.105 0.000 6.597) 8.341 1.960 ( 2.055 0.000 -1.349) 2.458 2.017 ( -0.033 0.000 -0.550) 0.551 2.024 ( -0.790 0.000 0.161) 0.806 2.121 ( 2.105 0.000 -5.780) 6.151 2.145 ( 0.702 0.000 -4.987) 5.036 2.150 ( 7.162 0.000 -1.074) 7.242 2.156 ( -0.076 0.000 -3.912) 3.913 2.191 ( 1.872 0.000 -3.481) 3.953 2.213 ( 4.185 0.000 -4.860) 6.413 2.263 ( 6.443 0.000 -7.255) 9.703 2.272 ( 6.863 0.000 2.218) 7.212 2.288 ( -2.446 0.000 -0.937) 2.619 2.305 ( 5.686 0.000 -2.495) 6.209 2.330 ( 2.395 0.000 1.157) 2.660 2.334 ( 3.484 0.000 -0.989) 3.622 2.362 ( 0.350 0.000 1.730) 1.765 2.382 ( 0.566 0.000 -0.954) 1.109 2.488 ( -8.025 0.000 8.961) 12.030 2.551 ( -5.137 0.000 0.586) 5.170 2.581 ( -4.497 0.000 0.947) 4.596 2.602 ( -3.429 0.000 4.316) 5.513 2.612 ( -5.026 0.000 1.925) 5.381 2.685 ( -3.263 0.000 0.217) 3.270 2.721 ( -0.389 0.000 -0.438) 0.586 2.743 ( -0.057 0.000 2.244) 2.245 2.803 ( -2.666 0.000 -0.206) 2.674 2.813 ( -1.109 0.000 2.029) 2.312 2.992 ( -2.937 0.000 -1.114) 3.141 3.024 ( 2.313 0.000 -2.199) 3.192 3.110 ( -1.532 0.000 -0.173) 1.542 3.149 ( -0.233 0.000 -1.777) 1.792 3.260 ( 1.544 0.000 -2.692) 3.103 3.267 ( -1.465 0.000 2.892) 3.242 3.299 ( 6.466 0.000 -1.476) 6.632 3.321 ( 0.050 0.000 -3.282) 3.283 3.427 ( 2.639 0.000 -2.809) 3.854 3.472 ( 0.276 0.000 0.593) 0.654 3.551 ( 0.210 0.000 2.490) 2.499 3.609 ( -3.463 0.000 1.217) 3.670 3.622 ( -0.240 0.000 -3.425) 3.433 4.577 ( 1.092 0.000 -3.346) 3.520 4.611 ( 3.017 0.000 -1.923) 3.578 4.675 ( 1.098 0.000 -0.199) 1.116 4.703 ( 1.805 0.000 -1.449) 2.314 4.861 ( -2.564 0.000 0.876) 2.709 4.964 ( -1.260 0.000 -1.756) 2.162 5.000 ( 2.722 0.000 -0.626) 2.793 5.072 ( 2.539 0.000 -1.923) 3.185 5.178 ( 1.168 0.000 2.884) 3.112 5.207 ( -0.538 0.000 -2.276) 2.339 5.214 ( 0.954 0.000 0.752) 1.215 5.273 ( -0.771 0.000 -1.891) 2.042 5.364 ( 1.759 0.000 0.035) 1.759 5.385 ( 0.852 0.000 0.036) 0.853 5.390 ( 0.409 0.000 1.056) 1.132 5.437 ( 2.441 0.000 0.860) 2.588 5.437 ( -0.902 0.000 0.141) 0.913 5.492 ( 1.001 0.000 -1.284) 1.628 5.575 ( 0.495 0.000 -1.253) 1.347 5.602 ( 1.161 0.000 -1.531) 1.922 5.804 ( 1.126 0.000 -1.271) 1.699 5.864 ( 0.413 0.000 -1.202) 1.271 5.980 ( 3.349 0.000 -1.127) 3.534 6.026 ( 2.653 0.000 -0.453) 2.692 6.161 ( -4.467 0.000 2.128) 4.948 6.261 ( -0.936 0.000 -0.769) 1.211 6.335 ( -1.839 0.000 1.814) 2.583 6.416 ( 2.585 0.000 1.484) 2.981 7.527 ( 0.012 0.000 -0.246) 0.246 7.548 ( 0.782 0.000 -0.938) 1.221 7.569 ( 1.722 0.000 -1.283) 2.147 7.633 ( 2.824 0.000 -3.708) 4.661 8.004 ( 0.255 0.000 -1.312) 1.336 8.005 ( 0.427 0.000 0.303) 0.523 8.038 ( -0.134 0.000 -2.988) 2.991 8.047 ( 1.042 0.000 -0.700) 1.256 8.173 ( 2.450 0.000 5.633) 6.142 8.250 ( 1.047 0.000 -0.669) 1.242 8.266 ( 5.528 0.000 5.788) 8.003 8.336 ( 0.767 0.000 -1.483) 1.669 8.488 ( -2.746 0.000 3.944) 4.806 8.554 ( 0.730 0.000 1.441) 1.615 8.663 ( -4.359 0.000 -2.674) 5.114 8.759 ( -5.222 0.000 -9.246) 10.619 8.877 ( -1.292 0.000 -1.749) 2.175 8.890 ( 1.062 0.000 1.321) 1.695 8.998 ( -0.001 0.000 -0.535) 0.535 9.000 ( 0.429 0.000 0.682) 0.806 9.141 ( 0.401 0.000 0.517) 0.654 9.200 ( 1.527 0.000 -1.749) 2.321 9.350 ( 0.765 0.000 2.894) 2.994 9.415 ( 1.261 0.000 0.685) 1.435 ======================= Grid point 48 (29/50) ======================= q-point: (-0.14 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( 4.537 0.000 24.130) 24.553 0.807 ( -2.472 0.000 20.947) 21.092 1.277 ( -5.733 0.000 -0.251) 5.739 1.342 ( -7.050 0.000 -3.585) 7.910 1.415 ( -16.482 0.000 18.762) 24.973 1.483 ( -7.099 0.000 6.775) 9.813 1.533 ( -10.560 0.000 12.084) 16.048 1.638 ( -3.289 0.000 9.824) 10.360 1.704 ( 0.326 0.000 -2.958) 2.976 1.750 ( 4.558 0.000 -0.791) 4.627 1.855 ( 2.842 0.000 -1.264) 3.111 1.884 ( 3.693 0.000 -0.834) 3.786 1.919 ( 2.741 0.000 -2.337) 3.601 1.935 ( -1.020 0.000 -4.812) 4.919 1.963 ( 1.062 0.000 -1.041) 1.487 1.969 ( 3.920 0.000 -0.225) 3.926 1.980 ( 0.389 0.000 5.283) 5.298 2.038 ( 0.978 0.000 2.653) 2.827 2.056 ( 2.763 0.000 1.686) 3.237 2.092 ( -1.961 0.000 -4.733) 5.123 2.094 ( -1.633 0.000 -5.102) 5.357 2.167 ( 5.946 0.000 -3.906) 7.114 2.199 ( 1.133 0.000 1.109) 1.585 2.220 ( 0.097 0.000 -0.501) 0.510 2.254 ( 2.559 0.000 -4.813) 5.451 2.279 ( -0.448 0.000 0.591) 0.741 2.314 ( 3.188 0.000 -2.694) 4.174 2.339 ( 4.270 0.000 -0.007) 4.270 2.341 ( 1.306 0.000 -0.759) 1.510 2.388 ( 0.695 0.000 3.193) 3.268 2.397 ( -4.058 0.000 7.807) 8.799 2.399 ( 2.430 0.000 -1.657) 2.942 2.434 ( 0.448 0.000 1.235) 1.314 2.461 ( 5.631 0.000 3.301) 6.527 2.516 ( 0.404 0.000 1.326) 1.386 2.547 ( -2.306 0.000 -0.241) 2.319 2.578 ( 0.975 0.000 4.388) 4.495 2.595 ( -2.114 0.000 3.464) 4.059 2.634 ( -1.480 0.000 -1.116) 1.854 2.718 ( -0.076 0.000 0.161) 0.178 2.758 ( -2.506 0.000 2.102) 3.271 2.766 ( 0.258 0.000 3.148) 3.158 2.785 ( -3.275 0.000 1.397) 3.561 2.950 ( 1.231 0.000 0.993) 1.581 3.081 ( 4.314 0.000 -1.660) 4.623 3.101 ( 0.188 0.000 0.209) 0.282 3.129 ( -1.662 0.000 0.746) 1.822 3.250 ( 1.715 0.000 -4.289) 4.620 3.263 ( -1.041 0.000 2.964) 3.141 3.302 ( 0.959 0.000 -4.732) 4.829 3.354 ( 3.394 0.000 -5.273) 6.271 3.456 ( 3.561 0.000 -5.301) 6.386 3.495 ( 0.375 0.000 -0.179) 0.416 3.557 ( -1.480 0.000 -0.342) 1.519 3.563 ( -0.511 0.000 0.820) 0.966 3.590 ( 0.040 0.000 -3.913) 3.913 4.581 ( 1.643 0.000 -2.167) 2.719 4.651 ( 2.636 0.000 -1.544) 3.055 4.701 ( 1.286 0.000 0.321) 1.325 4.732 ( 1.838 0.000 -2.404) 3.026 4.851 ( -0.224 0.000 2.884) 2.893 4.937 ( 0.651 0.000 -2.142) 2.239 5.037 ( 2.232 0.000 -2.231) 3.156 5.098 ( 1.445 0.000 -1.321) 1.958 5.190 ( 0.437 0.000 -1.603) 1.661 5.214 ( 0.346 0.000 1.954) 1.984 5.235 ( 0.789 0.000 1.585) 1.770 5.262 ( 0.959 0.000 -0.506) 1.084 5.383 ( -0.505 0.000 -0.394) 0.640 5.392 ( 1.240 0.000 -0.837) 1.496 5.413 ( -0.383 0.000 1.385) 1.437 5.440 ( 1.504 0.000 3.387) 3.706 5.502 ( 3.245 0.000 0.607) 3.301 5.506 ( 2.061 0.000 -2.943) 3.593 5.567 ( -0.178 0.000 -1.702) 1.712 5.607 ( 0.142 0.000 0.039) 0.147 5.825 ( 2.547 0.000 -1.380) 2.897 5.874 ( 1.562 0.000 -0.956) 1.831 6.018 ( 2.380 0.000 -1.984) 3.099 6.037 ( -2.619 0.000 -0.085) 2.621 6.097 ( -2.432 0.000 1.545) 2.881 6.187 ( -5.601 0.000 -3.415) 6.560 6.280 ( -3.984 0.000 -1.670) 4.320 6.389 ( -3.818 0.000 -6.899) 7.884 7.524 ( -0.160 0.000 0.112) 0.195 7.554 ( 0.479 0.000 -0.838) 0.965 7.574 ( 0.045 0.000 -2.286) 2.286 7.627 ( -0.046 0.000 -3.536) 3.537 7.994 ( -0.049 0.000 -1.377) 1.378 8.005 ( -1.025 0.000 0.505) 1.143 8.009 ( -0.111 0.000 -2.869) 2.871 8.048 ( -0.702 0.000 -0.878) 1.124 8.271 ( 2.142 0.000 -0.565) 2.215 8.288 ( 3.535 0.000 6.746) 7.616 8.331 ( 1.063 0.000 -1.748) 2.046 8.428 ( 6.108 0.000 0.963) 6.184 8.475 ( -1.961 0.000 3.431) 3.952 8.531 ( -7.299 0.000 -3.659) 8.165 8.556 ( -1.252 0.000 -0.048) 1.253 8.563 ( -4.197 0.000 -2.030) 4.662 8.898 ( 2.636 0.000 2.419) 3.578 8.979 ( 2.769 0.000 2.117) 3.485 9.014 ( 0.443 0.000 1.109) 1.194 9.082 ( 6.956 0.000 3.386) 7.736 9.165 ( 1.379 0.000 1.542) 2.069 9.224 ( 2.458 0.000 -1.876) 3.092 9.437 ( 3.834 0.000 7.217) 8.173 9.503 ( 6.932 0.000 4.394) 8.207 ======================= Grid point 49 (30/50) ======================= q-point: ( 0.00 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( 4.003 -4.757 21.128) 22.024 0.928 ( -2.701 -10.685 10.391) 15.147 1.109 ( -11.849 5.153 21.490) 25.075 1.222 ( -13.649 -7.944 18.139) 24.050 1.437 ( -5.456 11.742 0.020) 12.948 1.526 ( -5.698 6.108 6.280) 10.451 1.602 ( 1.384 12.973 14.007) 19.142 1.676 ( -1.253 2.994 0.364) 3.266 1.752 ( -0.433 -1.291 0.233) 1.382 1.781 ( 2.370 3.205 1.374) 4.216 1.821 ( -4.115 -3.370 -1.922) 5.655 1.859 ( 1.590 -0.572 -2.619) 3.117 1.866 ( -0.145 -0.171 -2.716) 2.726 1.905 ( 3.439 -6.971 0.652) 7.801 1.929 ( 0.123 -3.356 -1.818) 3.818 1.979 ( 0.895 -4.640 2.242) 5.230 2.015 ( 1.161 -1.855 1.934) 2.920 2.032 ( 0.586 -1.495 1.846) 2.447 2.075 ( 1.767 1.389 -1.418) 2.657 2.104 ( 1.242 -0.217 -0.832) 1.511 2.115 ( -0.250 0.291 -1.077) 1.144 2.150 ( -1.231 -3.362 -2.822) 4.559 2.207 ( 0.252 2.314 2.386) 3.334 2.240 ( -0.320 4.032 -1.042) 4.177 2.253 ( 0.954 -2.602 3.846) 4.740 2.290 ( 2.071 -0.476 -3.204) 3.845 2.311 ( -0.293 0.112 1.578) 1.609 2.326 ( -2.895 -1.758 1.919) 3.893 2.330 ( 0.018 -2.381 4.305) 4.920 2.345 ( -0.097 -2.682 3.742) 4.605 2.427 ( 0.306 0.246 -0.849) 0.936 2.438 ( 1.353 -1.221 -0.494) 1.889 2.475 ( 3.158 2.768 -0.876) 4.290 2.523 ( 0.135 -2.085 -0.274) 2.107 2.564 ( -0.053 1.207 1.406) 1.854 2.570 ( 0.202 0.164 0.072) 0.270 2.602 ( 3.291 1.664 3.731) 5.246 2.644 ( 1.283 -1.686 2.563) 3.325 2.682 ( -1.335 1.714 -0.124) 2.176 2.693 ( -1.310 0.017 -0.041) 1.310 2.745 ( 0.465 0.471 2.597) 2.680 2.755 ( -0.039 -0.075 1.893) 1.894 2.890 ( 0.502 10.638 3.414) 11.183 3.042 ( 0.831 -4.280 -0.107) 4.361 3.051 ( 3.196 -0.237 -1.206) 3.424 3.085 ( 2.112 -3.122 -1.347) 4.003 3.165 ( 1.137 2.712 0.540) 2.990 3.215 ( 2.215 -3.298 -0.650) 4.026 3.285 ( 2.007 1.649 -5.940) 6.483 3.319 ( 0.436 -1.436 -5.606) 5.803 3.369 ( 1.213 3.214 -0.397) 3.458 3.431 ( 0.992 -3.107 -2.856) 4.335 3.511 ( 1.350 1.558 -2.611) 3.327 3.536 ( 1.342 -1.415 -2.641) 3.283 3.559 ( 0.838 1.400 -1.654) 2.323 3.579 ( 0.855 -0.402 -3.595) 3.717 4.638 ( 1.372 2.952 -2.482) 4.094 4.682 ( -0.113 -2.118 -2.728) 3.456 4.695 ( 2.038 1.411 -1.695) 3.003 4.720 ( 1.061 -0.756 -2.402) 2.733 4.882 ( 0.722 0.514 1.658) 1.880 4.910 ( 1.749 -2.963 -0.861) 3.547 5.074 ( 0.106 1.941 -3.340) 3.865 5.095 ( -0.207 -0.615 -2.235) 2.327 5.213 ( 1.264 0.464 0.335) 1.388 5.220 ( 0.215 -0.349 0.765) 0.868 5.290 ( 1.826 2.477 1.071) 3.258 5.309 ( 1.959 0.460 1.003) 2.248 5.367 ( 0.779 -0.387 -0.177) 0.888 5.386 ( 0.243 -1.727 -0.894) 1.959 5.415 ( -1.043 1.390 1.215) 2.121 5.449 ( 0.601 -2.662 0.278) 2.743 5.535 ( -0.112 1.190 0.006) 1.195 5.553 ( 0.011 -0.774 -0.202) 0.800 5.571 ( 2.178 1.985 -0.549) 2.997 5.601 ( 0.922 -1.241 -0.661) 1.682 5.878 ( 1.626 0.501 -1.913) 2.560 5.886 ( 0.409 -0.354 -1.827) 1.905 5.963 ( -5.165 1.478 1.949) 5.715 6.002 ( -5.336 -2.854 1.046) 6.141 6.080 ( 0.236 3.333 -0.476) 3.375 6.128 ( 0.405 0.871 -1.360) 1.665 6.170 ( -5.498 -0.715 -3.298) 6.451 6.205 ( -4.998 -1.845 -4.679) 7.091 7.530 ( -0.253 0.635 -0.030) 0.685 7.541 ( -0.490 -0.516 -0.595) 0.928 7.563 ( -0.897 1.182 -1.123) 1.861 7.585 ( -0.993 -1.161 -1.501) 2.141 7.984 ( -1.359 0.602 -1.308) 1.979 7.996 ( -0.158 -0.687 -2.026) 2.145 7.999 ( 0.616 0.606 -0.131) 0.874 8.009 ( -0.432 -0.471 -0.427) 0.768 8.317 ( -3.045 0.522 2.505) 3.977 8.326 ( 1.165 -0.320 1.665) 2.058 8.363 ( 0.123 0.177 0.585) 0.623 8.367 ( -1.356 -0.176 0.849) 1.610 8.471 ( -2.542 1.200 2.300) 3.633 8.499 ( -2.703 -1.785 1.336) 3.504 8.576 ( 5.469 0.721 -0.338) 5.527 8.586 ( 5.948 -0.356 -0.794) 6.011 8.976 ( 1.724 1.235 2.018) 2.927 9.003 ( 1.219 -1.771 1.545) 2.648 9.074 ( 2.081 2.619 0.925) 3.471 9.124 ( 2.333 -2.990 -0.563) 3.834 9.228 ( 1.713 1.470 -0.116) 2.260 9.250 ( 2.083 -1.068 -0.891) 2.505 9.584 ( 3.617 2.914 5.382) 7.109 9.644 ( 5.754 -3.474 2.852) 7.302 ======================= Grid point 50 (31/50) ======================= q-point: ( 0.14 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( 3.611 0.980 14.744) 15.211 1.095 ( -2.928 2.717 19.345) 19.753 1.133 ( -0.415 -6.364 16.247) 17.453 1.185 ( 2.142 -8.433 18.796) 20.712 1.374 ( -1.965 10.075 2.287) 10.516 1.430 ( -5.756 6.147 5.281) 9.940 1.620 ( -3.501 -1.752 -0.714) 3.980 1.686 ( -2.620 -4.434 -7.503) 9.100 1.709 ( 0.806 0.912 -4.257) 4.427 1.748 ( -2.500 -4.231 0.166) 4.917 1.775 ( -3.047 1.103 -6.185) 6.983 1.822 ( -5.551 -3.631 -1.892) 6.897 1.873 ( 2.936 2.810 -1.218) 4.242 1.948 ( 1.990 3.157 0.494) 3.765 1.963 ( 0.248 3.178 0.701) 3.264 1.977 ( 1.121 0.837 1.230) 1.862 1.989 ( -1.267 2.429 -3.468) 4.419 2.029 ( -2.086 -0.748 -3.865) 4.455 2.074 ( -1.181 0.828 0.436) 1.507 2.096 ( 0.343 -0.426 0.076) 0.553 2.138 ( -2.258 -0.829 1.391) 2.779 2.157 ( -2.056 -1.396 2.033) 3.211 2.201 ( -1.209 1.524 -1.528) 2.473 2.226 ( 1.494 -1.504 2.581) 3.340 2.245 ( 0.476 1.884 2.122) 2.877 2.265 ( -2.279 -0.619 0.374) 2.391 2.290 ( -2.563 -1.927 1.896) 3.726 2.302 ( -1.878 -1.106 3.384) 4.025 2.400 ( 1.953 1.446 4.002) 4.682 2.426 ( -0.955 2.075 0.719) 2.395 2.441 ( 5.013 -3.309 3.723) 7.067 2.476 ( 1.030 -4.136 3.054) 5.243 2.507 ( 0.098 1.297 -2.014) 2.397 2.538 ( 1.006 -1.879 0.455) 2.180 2.569 ( 0.550 -0.412 -2.854) 2.935 2.585 ( -1.490 -1.049 -0.619) 1.924 2.601 ( -0.396 0.660 2.286) 2.412 2.623 ( 1.300 -1.675 2.646) 3.391 2.727 ( 2.985 1.728 3.125) 4.654 2.739 ( 3.262 0.536 2.884) 4.387 2.788 ( 2.034 -0.014 0.685) 2.146 2.798 ( 2.090 -0.951 0.880) 2.459 2.950 ( 2.934 8.386 3.262) 9.465 3.052 ( 1.834 -3.487 -1.953) 4.397 3.094 ( 0.816 -0.443 -3.134) 3.268 3.098 ( 1.858 -0.711 -0.727) 2.117 3.178 ( 0.844 2.156 -0.767) 2.439 3.218 ( -0.380 -2.126 -4.291) 4.803 3.247 ( -2.017 0.176 -4.451) 4.890 3.257 ( -2.433 -1.051 -4.235) 4.996 3.370 ( -0.416 2.557 -1.855) 3.187 3.416 ( 0.292 -2.087 -3.415) 4.013 3.530 ( 1.106 1.261 -1.986) 2.600 3.555 ( 2.223 -0.542 -1.407) 2.686 3.571 ( 1.206 0.113 -1.644) 2.042 3.576 ( 2.081 0.008 -1.209) 2.407 4.644 ( 1.161 0.395 -2.126) 2.455 4.656 ( 0.062 -0.964 -3.318) 3.456 4.704 ( 0.339 1.395 -2.779) 3.128 4.719 ( 0.957 -0.144 -1.749) 1.999 4.902 ( 0.814 1.233 0.009) 1.477 4.940 ( 2.004 -2.916 -0.564) 3.583 5.048 ( -0.417 1.390 -1.951) 2.431 5.068 ( -0.914 -0.876 -1.397) 1.885 5.215 ( -1.471 1.109 0.036) 1.843 5.236 ( 0.302 -1.255 0.586) 1.417 5.310 ( -0.295 2.415 -0.608) 2.508 5.341 ( 0.615 0.308 -0.012) 0.688 5.351 ( -2.148 -0.569 -0.265) 2.237 5.372 ( 0.544 -1.539 -0.919) 1.873 5.424 ( 0.614 1.496 -0.543) 1.706 5.457 ( 0.064 -2.309 -0.642) 2.397 5.521 ( -1.139 1.685 0.438) 2.081 5.542 ( -0.421 -0.387 -0.413) 0.705 5.600 ( -0.276 0.452 -0.101) 0.539 5.608 ( 1.064 -0.104 -0.043) 1.070 5.812 ( -4.356 -0.423 -1.979) 4.803 5.816 ( -3.637 -0.986 -1.012) 3.902 5.975 ( -1.228 0.089 1.237) 1.745 5.982 ( -0.465 -0.674 1.805) 1.982 6.023 ( -1.628 1.661 1.122) 2.582 6.045 ( -2.970 -0.577 -0.426) 3.055 6.164 ( 2.932 2.379 1.651) 4.121 6.205 ( 2.755 -2.004 0.919) 3.528 7.522 ( -0.550 0.279 -0.235) 0.660 7.527 ( -0.346 -0.285 -0.224) 0.501 7.544 ( -0.597 0.913 -0.449) 1.180 7.560 ( -0.824 -0.846 -0.789) 1.420 7.959 ( -0.159 0.421 -1.035) 1.129 7.971 ( -0.316 -0.933 -1.171) 1.530 8.019 ( 1.183 0.535 0.047) 1.299 8.024 ( 1.432 -0.029 0.145) 1.439 8.255 ( -4.116 0.923 1.321) 4.420 8.274 ( -4.689 -1.074 1.250) 4.970 8.395 ( -1.244 0.828 1.644) 2.222 8.405 ( 0.995 -0.084 1.146) 1.520 8.446 ( -1.030 0.765 1.719) 2.145 8.469 ( 0.299 -1.462 0.650) 1.628 8.676 ( 5.261 0.204 -1.105) 5.380 8.679 ( 5.158 -0.107 -1.754) 5.449 9.005 ( -0.003 0.777 1.567) 1.749 9.024 ( -0.038 -1.416 1.002) 1.735 9.095 ( 0.668 2.381 -1.881) 3.108 9.132 ( 0.704 -1.725 -3.356) 3.839 9.254 ( 1.159 1.157 -0.660) 1.766 9.276 ( 1.335 -1.155 -1.058) 2.059 9.639 ( -0.696 3.108 1.646) 3.585 9.701 ( -0.312 -3.459 -0.593) 3.524 ======================= Grid point 51 (32/50) ======================= q-point: ( 0.29 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( 3.100 1.331 9.410) 9.997 1.212 ( 4.444 0.073 10.990) 11.854 1.284 ( 6.855 5.723 8.806) 12.542 1.392 ( 2.574 -0.243 5.843) 6.390 1.428 ( 2.196 2.337 4.863) 5.825 1.432 ( 1.347 -2.389 8.212) 8.658 1.565 ( -0.189 -2.849 -5.260) 5.985 1.606 ( 0.103 -4.294 -4.563) 6.267 1.636 ( -2.989 -1.009 -4.623) 5.597 1.680 ( -3.183 -0.123 -4.631) 5.621 1.686 ( -0.901 -3.748 0.320) 3.867 1.717 ( -1.924 -3.794 -3.305) 5.388 1.867 ( -2.783 3.110 -6.517) 7.738 1.880 ( -3.524 3.423 -2.977) 5.744 1.909 ( -3.299 -0.264 -5.523) 6.439 1.932 ( -3.608 2.736 -2.641) 5.242 1.957 ( -0.743 2.028 -0.285) 2.179 2.003 ( -1.522 2.397 -1.057) 3.030 2.039 ( -1.431 0.132 -1.426) 2.024 2.098 ( -0.174 2.037 -0.651) 2.146 2.105 ( -2.287 -3.785 -0.562) 4.457 2.157 ( -2.937 -3.628 0.475) 4.692 2.172 ( -0.555 -2.104 2.363) 3.212 2.195 ( -3.049 -2.171 3.018) 4.808 2.220 ( 0.641 1.377 -5.026) 5.250 2.234 ( 1.077 -0.277 -0.997) 1.493 2.299 ( -1.415 3.467 0.643) 3.800 2.347 ( -0.234 -0.288 -2.560) 2.586 2.401 ( -2.338 3.259 -2.972) 4.992 2.429 ( -2.103 0.564 -1.878) 2.875 2.463 ( 0.045 2.687 2.953) 3.993 2.485 ( 1.510 2.764 -1.086) 3.332 2.517 ( -1.718 -0.930 -0.249) 1.969 2.536 ( 0.952 -2.258 1.027) 2.657 2.577 ( 4.436 -0.017 6.330) 7.730 2.640 ( 4.516 -4.102 3.721) 7.146 2.675 ( 2.116 0.625 1.983) 2.967 2.697 ( 2.119 -2.527 4.017) 5.197 2.768 ( 0.229 1.591 1.139) 1.970 2.799 ( -0.012 -1.828 1.502) 2.366 2.835 ( 1.444 0.105 1.687) 2.223 2.845 ( 3.197 -0.904 2.987) 4.468 2.999 ( -5.583 3.282 -0.844) 6.531 3.033 ( -3.291 -2.000 -5.744) 6.915 3.040 ( -0.024 1.154 -1.305) 1.743 3.089 ( 0.765 -2.350 -1.656) 2.975 3.155 ( -2.133 1.199 -1.759) 3.014 3.170 ( -1.317 0.450 -1.802) 2.277 3.213 ( 2.328 1.719 -5.513) 6.226 3.252 ( 4.456 -2.047 0.507) 4.930 3.348 ( -0.998 1.687 1.273) 2.338 3.389 ( -0.869 -2.649 -2.086) 3.482 3.502 ( -2.095 4.140 -1.476) 4.869 3.565 ( -0.281 1.284 -1.813) 2.239 3.589 ( 1.522 -1.254 0.343) 2.002 3.628 ( 2.634 -2.197 0.845) 3.532 4.633 ( 0.041 0.584 -2.669) 2.732 4.643 ( 0.495 -0.296 -3.387) 3.436 4.690 ( 0.516 0.873 -2.459) 2.660 4.715 ( 0.276 -1.751 -2.386) 2.972 4.916 ( 0.934 2.887 -0.548) 3.084 4.966 ( 1.198 -2.535 -0.986) 2.972 5.035 ( 0.008 0.748 -0.928) 1.192 5.049 ( -0.194 -0.723 -0.831) 1.118 5.168 ( -2.664 1.711 -0.500) 3.205 5.206 ( -2.610 -2.307 -1.964) 3.999 5.300 ( 0.147 1.411 -0.313) 1.453 5.325 ( -0.166 -1.388 0.305) 1.431 5.343 ( -0.759 1.051 -0.605) 1.430 5.364 ( -0.893 -1.178 -1.095) 1.839 5.407 ( -1.835 1.607 0.004) 2.439 5.441 ( -1.255 -1.953 -0.344) 2.347 5.500 ( -1.325 2.716 0.113) 3.024 5.535 ( 0.031 -0.711 -0.696) 0.996 5.584 ( -0.200 1.096 -2.291) 2.547 5.613 ( -0.592 -1.505 -0.411) 1.669 5.768 ( 0.339 0.399 0.472) 0.704 5.790 ( 0.548 -1.707 1.008) 2.057 5.905 ( -3.178 1.491 -0.315) 3.524 5.928 ( -3.085 -0.506 0.407) 3.152 6.091 ( 3.040 -0.059 4.030) 5.049 6.092 ( 3.241 -0.134 4.079) 5.211 6.227 ( 1.503 1.959 3.708) 4.455 6.263 ( 1.430 -1.792 3.187) 3.926 7.511 ( -0.162 0.771 -0.443) 0.904 7.526 ( 0.302 -0.740 -0.383) 0.886 7.536 ( 0.017 0.431 -0.254) 0.500 7.544 ( -0.301 -0.422 -0.556) 0.760 7.962 ( 1.169 0.264 -0.753) 1.416 7.971 ( 1.004 -0.735 -0.725) 1.440 8.038 ( 0.804 1.070 -0.039) 1.339 8.053 ( 1.141 -0.542 0.666) 1.428 8.194 ( -3.346 0.246 0.645) 3.416 8.199 ( -4.084 -0.329 0.469) 4.124 8.350 ( -3.557 0.584 0.211) 3.611 8.361 ( -3.872 -0.573 0.087) 3.915 8.486 ( 1.796 1.048 1.893) 2.812 8.506 ( 1.376 -1.059 1.800) 2.501 8.739 ( 3.359 0.164 -2.585) 4.242 8.743 ( 3.332 -0.188 -2.605) 4.233 9.000 ( -1.230 0.633 0.380) 1.435 9.016 ( -1.029 -1.246 -0.304) 1.644 9.082 ( 0.219 2.288 -2.871) 3.678 9.117 ( 0.885 -1.592 -3.801) 4.215 9.249 ( -0.206 1.237 -3.168) 3.407 9.274 ( 0.084 -1.382 -3.271) 3.552 9.592 ( -3.986 2.676 -1.719) 5.099 9.642 ( -4.223 -2.627 -2.784) 5.700 ======================= Grid point 52 (33/50) ======================= q-point: (-0.57 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( -7.174 2.731 -1.230) 7.774 1.337 ( -2.271 -4.184 1.584) 5.018 1.379 ( 0.454 -1.381 -3.129) 3.450 1.392 ( 0.530 -2.418 -3.556) 4.333 1.458 ( 4.661 3.191 6.043) 8.272 1.504 ( 3.027 -0.245 -0.240) 3.047 1.564 ( 3.786 1.569 -2.487) 4.794 1.596 ( 2.966 2.058 -3.968) 5.365 1.624 ( 4.318 -2.995 -5.041) 7.282 1.626 ( -1.355 -0.564 -1.541) 2.128 1.700 ( 4.437 2.950 1.651) 5.578 1.770 ( -1.693 2.382 -2.623) 3.927 1.784 ( -0.601 -4.604 -1.233) 4.804 1.803 ( -1.780 -0.574 -1.498) 2.397 1.864 ( 3.508 0.764 1.685) 3.966 1.895 ( 3.858 -0.764 0.124) 3.935 1.921 ( -2.567 1.974 -2.045) 3.830 1.950 ( -2.689 0.903 0.035) 2.837 1.980 ( -0.365 2.157 -1.495) 2.650 2.066 ( -0.716 -4.355 -2.245) 4.951 2.090 ( -0.165 0.532 -1.960) 2.038 2.123 ( -0.476 5.341 1.047) 5.463 2.145 ( -0.682 -5.637 -1.683) 5.923 2.187 ( -0.028 3.679 -3.187) 4.867 2.222 ( 1.369 -3.159 -0.812) 3.538 2.260 ( 1.384 -2.367 -3.439) 4.398 2.282 ( 0.284 3.400 -1.628) 3.780 2.317 ( -0.731 -0.115 -1.352) 1.541 2.332 ( -1.484 1.517 -3.112) 3.767 2.360 ( -0.705 -0.474 -7.238) 7.288 2.412 ( -2.392 1.552 -0.902) 2.991 2.442 ( -3.274 -2.849 -0.560) 4.376 2.544 ( -1.865 1.609 3.713) 4.455 2.570 ( 0.168 -0.984 2.429) 2.626 2.660 ( -6.395 0.022 0.229) 6.399 2.670 ( -1.768 -0.905 0.438) 2.034 2.726 ( -0.923 0.546 2.996) 3.182 2.732 ( -3.092 -0.054 1.799) 3.577 2.735 ( -1.570 -0.426 0.763) 1.797 2.766 ( -2.838 -2.219 1.215) 3.801 2.828 ( -2.048 1.714 -1.711) 3.172 2.863 ( -6.632 -2.972 -0.811) 7.312 2.922 ( 5.444 2.120 4.580) 7.423 2.980 ( 4.300 -3.742 4.333) 7.160 3.068 ( -0.042 2.506 -3.390) 4.216 3.083 ( 0.297 1.736 -0.192) 1.772 3.134 ( 1.359 0.269 -2.593) 2.940 3.152 ( -0.462 -0.554 0.157) 0.739 3.212 ( 0.555 3.835 -3.373) 5.137 3.305 ( 0.738 -5.159 -3.268) 6.151 3.348 ( -0.318 3.525 1.763) 3.954 3.387 ( 1.306 -0.336 1.099) 1.740 3.463 ( -0.795 2.107 0.876) 2.416 3.526 ( -2.741 -1.922 -0.445) 3.377 3.618 ( 1.170 1.069 0.275) 1.609 3.666 ( 0.586 -2.154 1.119) 2.497 4.613 ( 0.134 1.065 -3.324) 3.493 4.620 ( 0.388 0.733 -3.699) 3.791 4.677 ( -0.041 -0.183 -2.410) 2.417 4.699 ( 0.180 -2.160 -2.722) 3.480 4.930 ( 1.051 2.231 -0.426) 2.503 4.966 ( -0.315 -1.810 -0.729) 1.977 5.019 ( -0.821 1.469 -1.740) 2.421 5.042 ( 0.386 -1.058 -2.121) 2.401 5.141 ( -0.482 1.276 1.223) 1.832 5.164 ( -0.437 -1.132 -0.110) 1.219 5.289 ( -1.164 0.757 -1.440) 2.000 5.316 ( -1.211 -2.370 -0.566) 2.722 5.326 ( -0.134 1.160 0.117) 1.174 5.349 ( 0.064 -1.143 0.453) 1.231 5.376 ( -1.229 1.922 -0.017) 2.282 5.416 ( -0.774 -2.396 -0.918) 2.680 5.479 ( -1.064 3.262 0.012) 3.431 5.534 ( 0.386 -1.618 -0.669) 1.793 5.558 ( -0.373 1.327 -2.810) 3.130 5.593 ( 0.036 -1.373 -2.255) 2.640 5.801 ( 1.315 1.146 1.191) 2.112 5.827 ( 2.041 -0.765 1.058) 2.423 5.884 ( 0.423 0.845 1.459) 1.738 5.907 ( 0.651 -0.795 0.796) 1.300 6.174 ( 2.081 0.328 4.452) 4.925 6.181 ( 2.718 -0.342 4.901) 5.614 6.270 ( -0.102 1.400 4.849) 5.049 6.298 ( -0.490 -1.569 4.146) 4.460 7.512 ( 0.535 0.744 -0.236) 0.947 7.527 ( 0.302 -0.828 -0.522) 1.025 7.544 ( 1.075 0.244 -0.545) 1.230 7.547 ( 1.263 -0.126 -0.497) 1.363 7.985 ( 1.534 0.221 -0.434) 1.609 7.992 ( 1.526 -0.620 -0.320) 1.678 8.043 ( 0.134 1.508 -1.139) 1.894 8.065 ( 0.187 -0.971 -1.247) 1.592 8.144 ( -2.539 0.499 1.918) 3.221 8.154 ( -1.852 -0.628 2.205) 2.947 8.287 ( -2.425 0.798 -1.057) 2.763 8.302 ( -1.825 -0.786 -0.610) 2.079 8.518 ( -0.248 0.574 2.785) 2.855 8.530 ( -0.632 -0.622 2.652) 2.796 8.760 ( 1.215 0.270 -2.960) 3.212 8.764 ( 1.535 -0.213 -2.914) 3.301 8.974 ( -0.922 0.528 -1.286) 1.668 8.990 ( -0.678 -1.309 -1.861) 2.374 9.064 ( 0.099 2.584 -3.485) 4.340 9.103 ( 0.659 -1.798 -5.081) 5.430 9.203 ( -1.435 1.311 -4.428) 4.836 9.230 ( -1.388 -1.643 -4.429) 4.924 9.488 ( -4.727 2.188 -3.495) 6.273 9.527 ( -5.111 -1.918 -3.943) 6.734 ======================= Grid point 53 (34/50) ======================= q-point: (-0.43 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( -12.931 6.450 1.384) 14.517 1.201 ( -9.014 -3.537 -0.294) 9.687 1.246 ( -10.482 4.372 -3.715) 11.949 1.381 ( 0.349 -2.254 -5.972) 6.393 1.549 ( 1.001 -1.524 1.110) 2.135 1.562 ( 6.162 1.059 -4.197) 7.530 1.576 ( 2.558 -0.479 -7.464) 7.905 1.654 ( 5.152 -3.704 2.936) 6.992 1.698 ( -1.140 0.588 -0.162) 1.293 1.717 ( 5.714 1.126 1.862) 6.114 1.732 ( -0.594 -0.685 0.280) 0.948 1.772 ( 3.689 -2.662 -1.093) 4.679 1.791 ( 4.507 1.318 0.295) 4.705 1.828 ( 5.174 -3.615 0.925) 6.379 1.866 ( 0.977 1.356 -0.397) 1.718 1.897 ( 2.243 -1.730 -1.394) 3.157 1.955 ( -1.198 5.818 1.747) 6.192 2.010 ( 5.400 1.679 -0.477) 5.676 2.050 ( 2.407 -2.640 -1.316) 3.807 2.065 ( 3.635 -0.409 -1.077) 3.814 2.111 ( -1.629 -1.219 0.229) 2.047 2.116 ( 3.919 -1.780 0.703) 4.361 2.138 ( 3.755 3.866 -1.778) 5.675 2.189 ( 2.743 2.126 -2.642) 4.362 2.216 ( -0.273 -1.042 -3.781) 3.931 2.243 ( -0.069 -1.907 -2.856) 3.435 2.254 ( 1.497 2.567 -7.064) 7.663 2.282 ( -2.395 0.779 -4.301) 4.984 2.292 ( -1.381 -0.864 -1.178) 2.011 2.317 ( -0.244 -0.240 -3.099) 3.117 2.360 ( -4.656 0.423 1.465) 4.899 2.394 ( -3.559 -0.971 -0.104) 3.690 2.433 ( -6.376 1.837 3.012) 7.287 2.494 ( -9.598 -4.652 4.278) 11.492 2.578 ( -1.795 0.727 2.412) 3.093 2.618 ( -2.832 -3.135 0.622) 4.270 2.667 ( -3.545 0.160 0.361) 3.567 2.694 ( -1.883 -1.871 0.028) 2.655 2.725 ( -1.378 0.140 1.562) 2.088 2.736 ( -1.475 -1.067 2.626) 3.195 2.785 ( -1.020 2.837 -1.565) 3.397 2.826 ( -0.874 -1.612 -0.005) 1.834 2.994 ( -3.557 8.085 -0.089) 8.834 3.037 ( -0.059 0.264 -1.122) 1.154 3.057 ( -2.094 3.526 1.245) 4.286 3.102 ( 2.507 -0.079 -0.803) 2.633 3.141 ( 1.633 -1.785 -1.911) 3.083 3.166 ( 3.408 -0.446 -0.247) 3.446 3.211 ( 2.270 0.541 0.983) 2.532 3.271 ( -2.183 -5.115 -0.050) 5.562 3.349 ( 0.646 3.987 -1.462) 4.295 3.420 ( 1.773 -0.393 -0.613) 1.917 3.461 ( -2.649 -1.427 1.479) 3.352 3.495 ( 0.646 -2.122 1.067) 2.461 3.630 ( 0.072 1.359 -0.220) 1.379 3.664 ( -1.329 -1.190 0.281) 1.806 4.598 ( 1.296 1.233 -2.990) 3.484 4.606 ( 0.996 1.077 -3.390) 3.694 4.661 ( 0.408 -0.257 -2.050) 2.105 4.683 ( 0.481 -1.866 -2.771) 3.375 4.932 ( -2.056 0.893 -0.936) 2.429 4.946 ( -0.091 -0.661 -0.246) 0.711 5.006 ( 1.035 1.801 -0.726) 2.201 5.037 ( 1.430 -1.434 -2.179) 2.974 5.157 ( 0.667 1.356 1.601) 2.201 5.178 ( 1.004 -0.874 0.803) 1.555 5.254 ( -1.032 1.503 -1.463) 2.338 5.294 ( -0.509 -2.508 -0.838) 2.693 5.329 ( 0.125 0.724 0.044) 0.736 5.355 ( 0.379 -1.425 -0.067) 1.476 5.369 ( 0.352 1.226 0.334) 1.318 5.404 ( 0.138 -2.523 -0.645) 2.608 5.462 ( -0.506 3.325 -0.195) 3.369 5.524 ( -0.145 -3.237 -2.223) 3.929 5.550 ( 0.874 2.859 -0.727) 3.077 5.590 ( 1.271 -1.172 -2.096) 2.717 5.818 ( 0.495 2.107 0.036) 2.165 5.853 ( 0.395 -1.569 -0.081) 1.620 5.934 ( 3.703 1.798 0.936) 4.221 5.961 ( 3.659 -0.970 0.719) 3.853 6.213 ( -1.394 1.402 3.361) 3.899 6.241 ( -0.098 -1.320 3.177) 3.442 6.319 ( 0.901 -0.126 5.022) 5.103 6.325 ( 1.179 -0.610 4.723) 4.906 7.523 ( 0.737 0.336 -0.220) 0.839 7.532 ( 0.603 -0.626 -0.532) 1.020 7.563 ( 1.717 1.095 -0.977) 2.259 7.580 ( 2.804 -0.854 -1.146) 3.147 8.004 ( 0.913 0.668 -0.564) 1.264 8.011 ( 0.881 -0.053 -1.058) 1.377 8.035 ( 0.498 0.530 -1.261) 1.456 8.048 ( 0.027 -0.815 -2.422) 2.556 8.137 ( -0.646 1.023 3.658) 3.853 8.160 ( -0.145 -1.505 4.012) 4.287 8.265 ( 0.747 1.922 -0.530) 2.130 8.297 ( 1.489 -1.580 -0.212) 2.181 8.517 ( -2.295 0.548 3.493) 4.215 8.529 ( -1.395 -0.710 2.989) 3.374 8.745 ( -0.544 1.193 -2.443) 2.773 8.766 ( 0.792 -0.964 -1.568) 2.004 8.943 ( -1.332 0.666 -3.775) 4.058 8.962 ( -0.911 -1.483 -4.145) 4.495 9.022 ( -1.126 1.468 -4.321) 4.700 9.041 ( -1.935 -0.763 -6.691) 7.007 9.156 ( -0.563 1.292 -1.754) 2.250 9.185 ( -0.527 -1.752 -1.872) 2.618 9.391 ( -2.862 1.903 -2.277) 4.123 9.423 ( -2.826 -1.528 -2.604) 4.135 ======================= Grid point 54 (35/50) ======================= q-point: (-0.29 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( -9.726 13.978 3.930) 17.477 0.996 ( -8.945 16.825 8.098) 20.705 1.143 ( -5.563 -15.833 1.802) 16.878 1.295 ( -5.968 -13.979 4.637) 15.891 1.562 ( -0.101 7.829 1.993) 8.079 1.598 ( 6.731 4.986 -4.538) 9.527 1.678 ( 1.165 1.590 3.205) 3.763 1.696 ( 5.122 -4.878 -0.984) 7.141 1.713 ( -3.205 -0.267 3.238) 4.563 1.728 ( -4.547 -0.626 3.595) 5.830 1.763 ( 1.191 -3.148 -0.361) 3.385 1.801 ( 0.633 2.196 3.189) 3.923 1.841 ( -2.703 -2.831 -2.301) 4.540 1.880 ( 1.786 -3.308 1.345) 3.992 1.904 ( -0.768 -0.089 1.493) 1.681 1.932 ( -1.479 -1.720 4.159) 4.738 1.965 ( -0.003 3.909 2.972) 4.911 2.045 ( -0.762 -0.100 -0.743) 1.069 2.081 ( 0.754 2.623 0.758) 2.833 2.098 ( 2.723 -1.473 2.059) 3.718 2.118 ( 0.177 0.711 -3.213) 3.295 2.144 ( -0.228 -0.111 -1.427) 1.450 2.154 ( 7.163 -0.429 -4.524) 8.483 2.207 ( -0.662 -4.988 -2.710) 5.715 2.225 ( 1.676 1.584 -6.394) 6.797 2.225 ( 0.818 0.841 -0.674) 1.353 2.254 ( 4.565 -1.980 -5.136) 7.151 2.260 ( 0.639 -1.729 -2.210) 2.878 2.294 ( 5.443 -0.646 -3.136) 6.314 2.305 ( 0.622 -1.546 -1.316) 2.123 2.336 ( 5.481 1.112 0.696) 5.636 2.361 ( 1.708 -1.493 0.705) 2.376 2.413 ( 0.388 3.283 2.487) 4.137 2.443 ( -0.957 -0.170 2.266) 2.465 2.560 ( -3.273 -0.280 2.918) 4.393 2.572 ( -2.360 -1.285 1.169) 2.930 2.623 ( -2.142 2.031 0.348) 2.973 2.656 ( -2.678 -0.516 0.494) 2.772 2.698 ( -3.351 0.523 2.332) 4.116 2.707 ( -2.074 -0.877 0.318) 2.274 2.773 ( 0.118 3.089 0.531) 3.136 2.817 ( -0.776 -0.596 0.432) 1.070 2.928 ( -4.699 12.651 3.761) 14.010 2.991 ( -2.436 0.390 -1.849) 3.083 3.020 ( -0.934 -0.946 -0.944) 1.630 3.082 ( -1.252 -1.397 -0.033) 1.876 3.141 ( 0.411 -1.329 -0.794) 1.602 3.209 ( -2.435 -7.825 -0.163) 8.197 3.261 ( 2.886 1.351 -2.030) 3.778 3.288 ( 4.164 -1.371 -1.116) 4.524 3.353 ( 0.607 3.683 -1.454) 4.006 3.423 ( -0.151 -3.922 -0.339) 3.939 3.460 ( 2.119 2.894 -0.284) 3.598 3.518 ( 0.941 -3.124 0.951) 3.398 3.616 ( -1.524 0.991 -0.430) 1.868 3.630 ( -1.259 -0.002 -2.090) 2.440 4.607 ( 1.995 2.608 -3.044) 4.478 4.622 ( 2.874 0.913 -1.585) 3.406 4.666 ( 1.323 -0.641 -0.928) 1.739 4.682 ( 1.592 -2.049 -2.024) 3.291 4.883 ( -2.084 2.292 -0.364) 3.119 4.927 ( -1.129 -2.671 -1.690) 3.357 5.039 ( 2.536 2.480 -0.240) 3.555 5.067 ( 2.709 -0.801 -1.211) 3.074 5.182 ( 0.772 0.527 1.681) 1.924 5.195 ( 0.371 -0.828 -0.079) 0.911 5.237 ( 0.145 2.302 -0.555) 2.372 5.279 ( -0.191 -0.885 -1.310) 1.592 5.334 ( 0.508 -0.934 -0.169) 1.076 5.361 ( 0.367 -2.324 -0.099) 2.355 5.391 ( 1.251 0.820 1.459) 2.089 5.413 ( 0.647 -1.602 0.882) 1.940 5.468 ( 1.686 2.547 -0.713) 3.136 5.512 ( 0.814 -1.629 -2.641) 3.208 5.563 ( 0.768 1.731 -0.309) 1.919 5.597 ( 0.703 -1.279 -1.225) 1.905 5.827 ( 0.972 2.045 -1.020) 2.484 5.856 ( 0.601 -1.082 -1.053) 1.625 6.003 ( 3.275 1.889 -0.808) 3.866 6.024 ( 2.822 -0.449 -0.456) 2.893 6.181 ( -3.759 2.395 1.487) 4.699 6.234 ( -1.821 -3.050 0.109) 3.554 6.346 ( -0.678 1.910 1.408) 2.467 6.392 ( 1.524 -2.591 1.190) 3.233 7.530 ( 0.255 0.372 -0.332) 0.560 7.539 ( 0.655 -0.627 -0.572) 1.072 7.588 ( 1.949 1.731 -1.935) 3.246 7.618 ( 2.512 -1.522 -3.010) 4.205 8.006 ( 0.204 0.759 -1.253) 1.479 8.019 ( 0.559 0.110 -0.938) 1.097 8.033 ( 0.109 0.102 -1.986) 1.992 8.044 ( 0.842 -0.485 -0.853) 1.293 8.183 ( 2.392 1.179 5.291) 5.925 8.214 ( 2.484 -2.270 4.015) 5.238 8.299 ( 3.087 1.991 0.773) 3.754 8.327 ( 1.529 -1.124 -0.966) 2.130 8.502 ( -1.911 1.507 3.425) 4.201 8.534 ( -0.275 -1.901 2.211) 2.929 8.686 ( -4.425 2.348 -3.949) 6.379 8.732 ( -4.916 -2.642 -6.972) 8.931 8.880 ( -0.991 0.298 -1.316) 1.675 8.886 ( 0.058 -0.383 0.107) 0.402 8.998 ( -0.022 0.091 -0.432) 0.442 9.000 ( 0.181 -0.042 0.142) 0.234 9.156 ( 1.081 1.488 0.191) 1.849 9.184 ( 1.533 -1.552 -0.822) 2.331 9.371 ( 1.006 1.976 2.042) 3.015 9.402 ( 1.222 -1.397 1.072) 2.144 ======================= Grid point 55 (36/50) ======================= q-point: (-0.14 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( -6.106 7.463 13.357) 16.474 0.997 ( -8.548 -17.934 1.720) 19.941 1.066 ( 0.232 15.746 19.077) 24.737 1.298 ( -5.779 -11.004 14.132) 18.821 1.502 ( -11.746 10.360 14.966) 21.663 1.578 ( -9.227 8.934 1.865) 12.978 1.664 ( -3.156 5.056 8.233) 10.164 1.687 ( -5.901 -1.406 0.301) 6.073 1.702 ( 0.704 5.062 2.666) 5.765 1.754 ( 3.406 -0.374 1.075) 3.592 1.801 ( 3.259 -4.030 0.389) 5.197 1.829 ( 2.741 -7.804 4.277) 9.312 1.850 ( 4.193 -4.425 0.295) 6.103 1.874 ( -1.298 -4.671 2.096) 5.282 1.911 ( 1.062 -0.802 -1.946) 2.358 1.952 ( -0.001 -2.677 -0.888) 2.820 1.997 ( -0.010 1.654 -1.531) 2.254 2.019 ( 1.182 -1.429 1.980) 2.713 2.078 ( -1.509 -0.826 -0.858) 1.923 2.099 ( 0.099 -1.162 -0.343) 1.216 2.123 ( 0.474 3.528 -2.732) 4.487 2.149 ( 1.971 -0.712 0.771) 2.233 2.199 ( 1.748 0.158 -3.195) 3.645 2.207 ( 0.776 -1.765 -1.569) 2.486 2.228 ( 4.637 1.263 -4.921) 6.879 2.269 ( 2.423 -1.646 -4.483) 5.355 2.296 ( 2.528 -0.561 2.644) 3.701 2.303 ( 0.447 0.486 1.932) 2.042 2.339 ( 2.072 -1.068 -1.223) 2.632 2.352 ( 0.023 -3.332 0.112) 3.334 2.401 ( 3.059 1.397 -1.491) 3.678 2.423 ( 2.991 -1.069 -1.183) 3.390 2.436 ( 1.226 3.591 -1.709) 4.162 2.476 ( 4.554 0.027 1.746) 4.878 2.542 ( -0.738 -0.161 2.353) 2.471 2.556 ( -0.772 -0.502 3.611) 3.727 2.586 ( -2.453 0.777 1.189) 2.834 2.617 ( -1.407 -1.241 0.239) 1.891 2.665 ( -1.336 3.377 3.618) 5.126 2.698 ( -0.040 -1.297 1.889) 2.292 2.769 ( -2.000 2.174 0.465) 2.990 2.791 ( -2.471 0.190 0.733) 2.584 2.884 ( -3.094 11.852 4.159) 12.935 2.968 ( 2.057 2.360 0.712) 3.211 3.034 ( 2.603 -4.533 0.310) 5.237 3.069 ( -1.150 -4.855 0.214) 4.994 3.150 ( 0.076 0.795 0.670) 1.043 3.181 ( 0.704 -4.687 0.408) 4.757 3.279 ( 2.372 2.280 -4.557) 5.621 3.327 ( 2.931 -2.702 -4.602) 6.089 3.350 ( 0.721 4.220 -1.530) 4.547 3.430 ( 1.581 -4.040 -2.775) 5.150 3.501 ( 2.005 1.446 -0.492) 2.520 3.536 ( 0.682 -1.826 -1.316) 2.352 3.574 ( -1.441 1.812 -1.137) 2.579 3.598 ( -0.170 -0.372 -3.442) 3.467 4.626 ( 2.157 4.049 -2.752) 5.350 4.665 ( 2.648 1.332 -1.424) 3.288 4.685 ( 1.213 -1.655 -0.961) 2.266 4.708 ( 2.171 -2.453 -1.889) 3.781 4.863 ( -0.281 1.438 1.159) 1.868 4.899 ( -0.070 -2.694 -1.429) 3.050 5.077 ( 2.198 2.452 -2.395) 4.072 5.097 ( 1.584 -0.265 -1.722) 2.355 5.197 ( 0.667 0.584 -0.725) 1.145 5.206 ( 0.553 -0.584 0.867) 1.182 5.251 ( 1.016 1.953 1.414) 2.616 5.277 ( 0.790 0.407 0.019) 0.889 5.346 ( 1.079 -1.303 -0.200) 1.704 5.373 ( 1.063 -2.669 -0.091) 2.875 5.422 ( -0.170 0.561 1.717) 1.815 5.433 ( 0.263 -0.640 2.670) 2.758 5.510 ( 2.942 0.733 -1.067) 3.214 5.520 ( 2.617 0.182 -2.247) 3.454 5.568 ( 0.079 1.143 -0.562) 1.276 5.596 ( 0.030 -1.356 -0.499) 1.445 5.844 ( 2.080 1.675 -1.355) 2.995 5.867 ( 1.630 -0.856 -1.112) 2.151 6.034 ( 0.140 1.260 -0.306) 1.304 6.048 ( -0.017 0.147 -0.331) 0.362 6.109 ( -3.717 2.720 -0.751) 4.667 6.172 ( -3.187 -2.822 -3.646) 5.605 6.293 ( -4.847 2.554 -2.270) 5.930 6.355 ( -4.130 -3.543 -5.355) 7.635 7.531 ( 0.103 0.735 -0.164) 0.760 7.545 ( 0.408 -0.771 -0.590) 1.053 7.590 ( -0.007 1.468 -2.654) 3.033 7.615 ( -0.053 -1.226 -3.243) 3.467 7.997 ( 0.058 0.403 -1.385) 1.443 8.005 ( -0.032 -0.453 -2.229) 2.274 8.020 ( -1.121 1.248 -0.464) 1.741 8.040 ( -0.922 -0.945 -0.828) 1.558 8.272 ( 2.407 0.187 0.516) 2.468 8.279 ( 2.919 -0.605 3.450) 4.560 8.351 ( 1.882 2.024 1.158) 2.997 8.394 ( 3.247 -2.742 2.335) 4.849 8.502 ( -0.028 2.034 1.585) 2.579 8.529 ( -3.174 -0.700 -1.209) 3.467 8.550 ( -3.915 -0.155 -1.572) 4.221 8.557 ( -5.017 -0.609 -2.392) 5.591 8.915 ( 2.794 1.885 2.498) 4.196 8.956 ( 2.841 -2.407 2.180) 4.314 9.022 ( 1.553 0.884 2.123) 2.775 9.047 ( 3.979 -2.216 3.519) 5.756 9.192 ( 2.305 1.866 0.172) 2.971 9.216 ( 2.431 -0.893 -1.177) 2.845 9.456 ( 4.412 1.902 6.292) 7.916 9.489 ( 5.897 -1.570 4.996) 7.887 ======================= Grid point 63 (37/50) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( -3.525 0.000 6.230) 7.158 1.322 ( -2.044 0.000 7.331) 7.610 1.373 ( 2.080 0.000 9.320) 9.550 1.417 ( -2.912 0.000 16.396) 16.653 1.462 ( 1.309 0.000 0.744) 1.506 1.569 ( -0.103 0.000 -5.139) 5.140 1.612 ( -4.607 0.000 -3.707) 5.913 1.641 ( -2.145 0.000 -0.546) 2.213 1.707 ( -4.697 0.000 2.629) 5.383 1.744 ( -0.481 0.000 0.781) 0.917 1.813 ( -0.881 0.000 -1.648) 1.869 1.859 ( 0.849 0.000 4.913) 4.986 1.894 ( -3.092 0.000 -1.116) 3.287 1.903 ( 1.023 0.000 -3.081) 3.246 1.910 ( 1.448 0.000 -0.212) 1.464 1.991 ( 1.861 0.000 -1.893) 2.654 2.015 ( -2.745 0.000 -2.630) 3.801 2.040 ( 0.342 0.000 3.155) 3.173 2.070 ( 3.290 0.000 -3.905) 5.106 2.092 ( 3.428 0.000 -1.363) 3.689 2.125 ( -3.706 0.000 3.479) 5.083 2.148 ( 6.388 0.000 1.397) 6.539 2.174 ( -0.588 0.000 -3.229) 3.282 2.228 ( -6.578 0.000 -0.782) 6.624 2.279 ( -0.571 0.000 4.664) 4.698 2.306 ( 2.968 0.000 -1.210) 3.205 2.354 ( -3.111 0.000 2.614) 4.063 2.394 ( 6.089 0.000 2.269) 6.498 2.405 ( 2.338 0.000 -1.111) 2.588 2.410 ( 1.510 0.000 -0.201) 1.524 2.418 ( -1.609 0.000 3.250) 3.627 2.485 ( 2.607 0.000 -2.915) 3.911 2.500 ( -1.839 0.000 4.396) 4.765 2.559 ( 1.541 0.000 -1.722) 2.311 2.598 ( -3.459 0.000 3.858) 5.181 2.631 ( -0.272 0.000 2.924) 2.937 2.675 ( -3.302 0.000 2.151) 3.941 2.688 ( 0.553 0.000 0.173) 0.580 2.717 ( 1.089 0.000 3.837) 3.988 2.755 ( -0.285 0.000 3.207) 3.220 2.758 ( 0.342 0.000 4.803) 4.815 2.798 ( -0.810 0.000 4.222) 4.299 2.800 ( 1.998 0.000 -3.276) 3.837 2.965 ( 2.428 0.000 -11.538) 11.791 3.030 ( 0.838 0.000 0.378) 0.920 3.074 ( -0.424 0.000 -0.217) 0.476 3.095 ( 3.673 0.000 -2.805) 4.621 3.130 ( 0.259 0.000 -7.228) 7.232 3.189 ( 1.756 0.000 0.497) 1.825 3.240 ( -0.155 0.000 -3.741) 3.744 3.412 ( -0.037 0.000 -0.281) 0.283 3.417 ( 1.075 0.000 4.884) 5.001 3.450 ( 0.390 0.000 -3.120) 3.144 3.504 ( -0.859 0.000 -3.444) 3.549 3.524 ( 1.348 0.000 -0.097) 1.351 3.530 ( -0.434 0.000 -0.683) 0.809 4.599 ( 2.012 0.000 0.658) 2.117 4.634 ( -1.044 0.000 -2.812) 3.000 4.675 ( 2.134 0.000 -0.215) 2.145 4.686 ( -1.770 0.000 -1.138) 2.105 4.896 ( -1.029 0.000 -0.248) 1.059 4.907 ( 2.084 0.000 -1.632) 2.646 5.021 ( 0.282 0.000 1.291) 1.322 5.060 ( 0.127 0.000 -2.131) 2.135 5.228 ( 2.329 0.000 1.196) 2.618 5.238 ( -1.080 0.000 0.324) 1.127 5.302 ( -0.779 0.000 1.636) 1.812 5.319 ( 2.252 0.000 0.068) 2.253 5.364 ( 1.301 0.000 -0.507) 1.397 5.371 ( -1.370 0.000 -1.340) 1.916 5.433 ( -3.055 0.000 1.030) 3.224 5.453 ( 2.375 0.000 -1.508) 2.813 5.529 ( -0.839 0.000 1.249) 1.504 5.547 ( 0.111 0.000 -0.398) 0.413 5.579 ( 3.378 0.000 1.156) 3.570 5.598 ( -1.686 0.000 -0.766) 1.852 5.846 ( 1.417 0.000 -0.724) 1.592 5.852 ( -1.331 0.000 -1.408) 1.938 6.004 ( -1.419 0.000 2.259) 2.668 6.034 ( -1.485 0.000 -0.697) 1.641 6.058 ( 5.157 0.000 0.787) 5.217 6.083 ( -6.807 0.000 -1.061) 6.889 6.146 ( 4.787 0.000 -1.453) 5.003 6.146 ( -6.408 0.000 -1.286) 6.536 7.536 ( -0.660 0.000 0.291) 0.721 7.536 ( 0.183 0.000 -0.313) 0.363 7.537 ( -0.196 0.000 0.348) 0.400 7.562 ( -0.002 0.000 -1.565) 1.565 7.969 ( -1.891 0.000 -0.244) 1.906 7.975 ( 1.667 0.000 -0.839) 1.866 7.992 ( 1.831 0.000 0.214) 1.844 7.999 ( -2.015 0.000 -0.450) 2.065 8.337 ( -4.623 0.000 0.453) 4.645 8.338 ( 4.500 0.000 0.329) 4.512 8.377 ( 4.266 0.000 0.876) 4.355 8.389 ( -5.038 0.000 -0.043) 5.038 8.511 ( -3.454 0.000 2.514) 4.272 8.546 ( -4.139 0.000 1.514) 4.407 8.558 ( 5.069 0.000 -1.896) 5.412 8.567 ( 5.339 0.000 -0.585) 5.371 9.012 ( 1.185 0.000 2.319) 2.605 9.044 ( 0.229 0.000 -0.639) 0.679 9.057 ( 0.380 0.000 1.324) 1.378 9.098 ( 0.116 0.000 -2.805) 2.807 9.235 ( 0.243 0.000 0.942) 0.973 9.247 ( 1.765 0.000 -0.382) 1.805 9.651 ( 0.215 0.000 3.042) 3.049 9.685 ( 3.088 0.000 -0.556) 3.137 ======================= Grid point 64 (38/50) ======================= q-point: ( 0.14 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( 0.424 0.000 10.212) 10.220 1.310 ( -2.335 0.000 0.107) 2.338 1.434 ( 1.189 0.000 9.753) 9.825 1.458 ( -4.783 0.000 17.258) 17.908 1.506 ( -1.402 0.000 -10.013) 10.111 1.528 ( 0.046 0.000 -4.082) 4.082 1.566 ( -2.882 0.000 -5.875) 6.544 1.615 ( 2.873 0.000 7.309) 7.853 1.621 ( -4.441 0.000 2.581) 5.137 1.703 ( -4.741 0.000 6.764) 8.260 1.785 ( -2.161 0.000 -0.209) 2.172 1.839 ( -1.811 0.000 -1.225) 2.186 1.845 ( -5.351 0.000 -1.620) 5.590 1.875 ( -2.131 0.000 0.713) 2.247 1.891 ( -4.108 0.000 -5.859) 7.156 1.965 ( -5.794 0.000 0.470) 5.813 1.988 ( 2.413 0.000 2.221) 3.280 2.009 ( -3.515 0.000 1.634) 3.877 2.030 ( -3.631 0.000 -5.236) 6.372 2.090 ( -3.158 0.000 1.405) 3.457 2.111 ( -1.021 0.000 -4.159) 4.283 2.139 ( 3.108 0.000 -1.948) 3.668 2.198 ( -3.572 0.000 -1.025) 3.716 2.204 ( 2.444 0.000 1.895) 3.092 2.294 ( -2.154 0.000 -0.448) 2.200 2.306 ( -2.080 0.000 -2.184) 3.016 2.320 ( -1.399 0.000 2.334) 2.721 2.332 ( -2.061 0.000 0.123) 2.064 2.392 ( -3.106 0.000 -1.631) 3.508 2.429 ( -0.067 0.000 -3.590) 3.590 2.437 ( -0.654 0.000 -0.877) 1.094 2.472 ( -0.416 0.000 -5.015) 5.032 2.548 ( 1.051 0.000 2.347) 2.571 2.576 ( -0.858 0.000 13.863) 13.889 2.598 ( 3.433 0.000 -1.543) 3.764 2.644 ( -1.533 0.000 2.107) 2.606 2.651 ( 1.134 0.000 2.030) 2.326 2.739 ( 1.759 0.000 0.465) 1.819 2.747 ( 1.420 0.000 1.050) 1.766 2.791 ( 6.189 0.000 -3.453) 7.087 2.806 ( 1.127 0.000 2.253) 2.519 2.869 ( 4.968 0.000 -3.665) 6.174 2.883 ( 5.065 0.000 3.163) 5.972 2.929 ( 2.293 0.000 -7.717) 8.050 3.020 ( -2.647 0.000 -2.280) 3.494 3.065 ( 0.591 0.000 1.390) 1.511 3.078 ( -0.566 0.000 -6.534) 6.559 3.116 ( 2.372 0.000 -4.931) 5.472 3.187 ( -2.968 0.000 -2.050) 3.608 3.226 ( 1.908 0.000 0.718) 2.039 3.407 ( -0.872 0.000 0.476) 0.994 3.420 ( -1.204 0.000 -0.152) 1.213 3.456 ( -0.455 0.000 -2.585) 2.625 3.462 ( 0.527 0.000 0.879) 1.025 3.563 ( 3.645 0.000 -0.737) 3.719 3.596 ( 5.001 0.000 0.136) 5.003 4.595 ( -0.742 0.000 -2.925) 3.018 4.627 ( -1.042 0.000 -0.476) 1.145 4.652 ( 0.698 0.000 -0.114) 0.707 4.709 ( 1.260 0.000 -0.104) 1.264 4.874 ( -0.726 0.000 -0.460) 0.859 4.931 ( 1.740 0.000 -1.659) 2.405 5.034 ( -0.045 0.000 1.207) 1.208 5.042 ( -0.271 0.000 -2.261) 2.277 5.197 ( -2.621 0.000 -0.927) 2.780 5.261 ( 1.039 0.000 -0.519) 1.161 5.267 ( -3.621 0.000 -1.228) 3.823 5.331 ( 0.328 0.000 -0.881) 0.941 5.348 ( -0.078 0.000 0.641) 0.645 5.390 ( 0.645 0.000 -0.677) 0.935 5.397 ( -1.400 0.000 1.276) 1.895 5.490 ( 1.002 0.000 0.180) 1.018 5.509 ( -2.228 0.000 0.586) 2.303 5.517 ( -1.739 0.000 -1.252) 2.143 5.561 ( -1.201 0.000 -1.796) 2.160 5.633 ( 1.659 0.000 0.421) 1.712 5.794 ( -2.863 0.000 -0.176) 2.868 5.827 ( -2.000 0.000 0.598) 2.087 5.961 ( -5.033 0.000 -0.432) 5.051 6.028 ( -5.146 0.000 1.299) 5.307 6.064 ( 4.277 0.000 3.167) 5.322 6.066 ( 3.566 0.000 1.689) 3.945 6.182 ( 5.436 0.000 2.154) 5.847 6.244 ( 5.193 0.000 1.356) 5.367 7.519 ( -1.048 0.000 0.336) 1.100 7.536 ( -0.275 0.000 0.217) 0.351 7.537 ( -0.517 0.000 0.915) 1.051 7.548 ( -0.433 0.000 -0.958) 1.051 7.947 ( -0.391 0.000 0.084) 0.400 7.971 ( -0.544 0.000 -0.242) 0.595 8.003 ( 1.541 0.000 -0.049) 1.542 8.034 ( 2.094 0.000 0.401) 2.132 8.260 ( -3.947 0.000 0.175) 3.951 8.293 ( -5.056 0.000 0.002) 5.056 8.410 ( 1.669 0.000 -0.244) 1.686 8.418 ( -2.743 0.000 1.050) 2.937 8.475 ( -2.436 0.000 1.147) 2.693 8.497 ( 1.851 0.000 1.178) 2.194 8.624 ( 4.386 0.000 -3.447) 5.578 8.645 ( 4.110 0.000 -2.249) 4.686 9.020 ( -1.273 0.000 -2.900) 3.167 9.026 ( -0.991 0.000 0.730) 1.231 9.067 ( -0.528 0.000 1.394) 1.491 9.076 ( 0.038 0.000 -2.655) 2.655 9.223 ( -1.293 0.000 -1.437) 1.933 9.253 ( -0.020 0.000 -2.137) 2.137 9.623 ( -3.905 0.000 -0.942) 4.017 9.676 ( -1.951 0.000 -3.902) 4.363 ======================= Grid point 65 (39/50) ======================= q-point: ( 0.29 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( -2.206 0.000 1.080) 2.456 1.338 ( -0.637 0.000 -3.692) 3.746 1.385 ( -5.076 0.000 -14.417) 15.285 1.434 ( 2.431 0.000 -2.138) 3.237 1.489 ( -3.470 0.000 2.778) 4.445 1.511 ( 2.126 0.000 5.083) 5.510 1.553 ( -1.196 0.000 6.943) 7.045 1.592 ( -4.466 0.000 9.031) 10.075 1.626 ( -3.209 0.000 7.143) 7.830 1.683 ( -5.370 0.000 -4.319) 6.891 1.688 ( -4.299 0.000 0.954) 4.403 1.778 ( 0.767 0.000 -3.476) 3.559 1.786 ( 0.271 0.000 3.353) 3.364 1.802 ( -5.738 0.000 1.780) 6.008 1.861 ( 0.515 0.000 2.426) 2.480 1.889 ( -5.154 0.000 2.534) 5.744 1.952 ( -3.265 0.000 -1.968) 3.812 1.953 ( -1.758 0.000 3.140) 3.599 1.998 ( 1.653 0.000 -2.553) 3.042 2.069 ( -0.589 0.000 -1.280) 1.409 2.069 ( -5.642 0.000 -3.520) 6.650 2.081 ( 2.026 0.000 -1.833) 2.732 2.151 ( -1.607 0.000 -5.306) 5.544 2.188 ( -3.909 0.000 -2.596) 4.693 2.224 ( -0.614 0.000 0.050) 0.616 2.271 ( -2.087 0.000 -1.890) 2.815 2.306 ( -6.327 0.000 -4.706) 7.885 2.309 ( -2.275 0.000 0.627) 2.360 2.335 ( 0.156 0.000 0.945) 0.958 2.352 ( -0.078 0.000 2.252) 2.253 2.414 ( -1.607 0.000 -0.970) 1.877 2.480 ( 1.499 0.000 -3.273) 3.600 2.587 ( -0.822 0.000 1.089) 1.364 2.592 ( 0.729 0.000 3.360) 3.439 2.635 ( 2.584 0.000 -2.746) 3.771 2.670 ( 1.009 0.000 -1.731) 2.004 2.746 ( 2.846 0.000 2.552) 3.823 2.750 ( 0.864 0.000 -2.367) 2.520 2.785 ( 1.540 0.000 4.063) 4.345 2.826 ( -0.946 0.000 -8.600) 8.652 2.845 ( 1.679 0.000 5.330) 5.588 2.871 ( 5.179 0.000 -7.267) 8.924 2.920 ( -4.932 0.000 -1.994) 5.320 2.986 ( 3.431 0.000 -2.749) 4.397 2.989 ( 3.202 0.000 2.307) 3.947 3.045 ( 2.020 0.000 0.157) 2.026 3.076 ( -2.421 0.000 2.885) 3.766 3.126 ( 4.328 0.000 -9.036) 10.019 3.138 ( -0.632 0.000 0.648) 0.905 3.250 ( 0.428 0.000 -0.795) 0.903 3.373 ( -1.134 0.000 -1.989) 2.290 3.397 ( -2.359 0.000 1.611) 2.856 3.463 ( 0.066 0.000 -0.374) 0.380 3.474 ( 1.352 0.000 2.462) 2.809 3.629 ( 3.301 0.000 0.125) 3.304 3.672 ( 3.073 0.000 -0.318) 3.090 4.561 ( -0.647 0.000 -2.857) 2.929 4.588 ( -1.628 0.000 -1.041) 1.932 4.670 ( 0.202 0.000 -0.158) 0.256 4.709 ( -0.643 0.000 -1.268) 1.422 4.877 ( 1.113 0.000 0.718) 1.325 4.943 ( 1.149 0.000 -2.285) 2.557 5.016 ( -0.340 0.000 -2.522) 2.545 5.029 ( -1.424 0.000 0.206) 1.438 5.157 ( -1.124 0.000 0.243) 1.150 5.202 ( -2.206 0.000 0.548) 2.273 5.264 ( 0.218 0.000 -1.890) 1.903 5.320 ( -0.672 0.000 -1.630) 1.763 5.363 ( 0.536 0.000 1.238) 1.349 5.369 ( -1.461 0.000 -0.844) 1.687 5.385 ( -1.466 0.000 1.222) 1.909 5.458 ( -2.533 0.000 -0.080) 2.534 5.470 ( -1.670 0.000 -0.005) 1.670 5.503 ( 0.409 0.000 -3.084) 3.111 5.536 ( -0.758 0.000 -0.114) 0.767 5.634 ( -1.387 0.000 -0.704) 1.555 5.779 ( 1.104 0.000 0.660) 1.286 5.809 ( -0.660 0.000 1.225) 1.391 5.908 ( -1.246 0.000 1.273) 1.781 5.965 ( -3.359 0.000 2.155) 3.990 6.160 ( 4.627 0.000 2.272) 5.155 6.167 ( 3.881 0.000 3.309) 5.100 6.283 ( 3.129 0.000 3.305) 4.552 6.336 ( 2.800 0.000 2.659) 3.861 7.509 ( -0.467 0.000 0.962) 1.069 7.531 ( -0.217 0.000 -0.171) 0.276 7.534 ( -0.442 0.000 0.592) 0.739 7.536 ( -0.249 0.000 -0.267) 0.365 7.957 ( 1.104 0.000 0.475) 1.202 7.976 ( 1.018 0.000 0.160) 1.031 8.019 ( -0.082 0.000 0.094) 0.125 8.055 ( 0.134 0.000 -1.246) 1.253 8.209 ( -2.149 0.000 1.208) 2.465 8.220 ( -2.924 0.000 1.608) 3.337 8.332 ( -4.889 0.000 -1.801) 5.210 8.354 ( -4.197 0.000 -0.812) 4.275 8.522 ( 3.061 0.000 2.771) 4.129 8.558 ( 2.183 0.000 2.501) 3.320 8.667 ( 3.612 0.000 -4.254) 5.581 8.682 ( 2.526 0.000 -3.646) 4.435 8.967 ( -1.288 0.000 -4.205) 4.398 8.989 ( -2.615 0.000 -1.191) 2.873 9.053 ( -1.798 0.000 0.240) 1.814 9.058 ( -0.049 0.000 -2.893) 2.894 9.177 ( -1.760 0.000 -2.220) 2.833 9.221 ( -0.980 0.000 -3.160) 3.308 9.514 ( -5.455 0.000 -3.443) 6.451 9.574 ( -4.726 0.000 -5.693) 7.399 ======================= Grid point 66 (40/50) ======================= q-point: (-0.57 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( -2.591 0.000 -10.987) 11.288 1.200 ( -10.355 0.000 -7.749) 12.933 1.253 ( -3.725 0.000 -3.136) 4.869 1.331 ( -2.811 0.000 -7.426) 7.941 1.477 ( -0.067 0.000 4.416) 4.416 1.524 ( 2.508 0.000 -2.496) 3.538 1.590 ( -0.035 0.000 1.346) 1.347 1.625 ( -1.084 0.000 3.873) 4.022 1.692 ( 0.848 0.000 2.759) 2.886 1.699 ( 4.444 0.000 10.877) 11.750 1.725 ( 4.033 0.000 5.228) 6.602 1.735 ( -0.286 0.000 -2.423) 2.440 1.738 ( -0.615 0.000 2.175) 2.260 1.810 ( -2.880 0.000 4.108) 5.017 1.827 ( 0.026 0.000 -3.036) 3.036 1.915 ( 6.098 0.000 4.097) 7.346 1.933 ( 1.245 0.000 -2.241) 2.563 1.954 ( -1.519 0.000 -4.999) 5.225 1.986 ( -1.645 0.000 1.120) 1.990 2.004 ( 0.115 0.000 -0.742) 0.751 2.074 ( -0.372 0.000 -2.368) 2.397 2.078 ( 0.905 0.000 -1.829) 2.041 2.102 ( -0.008 0.000 -2.115) 2.115 2.137 ( 0.440 0.000 3.279) 3.309 2.144 ( -4.617 0.000 -6.213) 7.741 2.198 ( -3.707 0.000 -2.516) 4.480 2.215 ( -1.693 0.000 -1.817) 2.484 2.271 ( -1.123 0.000 -1.384) 1.782 2.327 ( -1.235 0.000 -0.673) 1.406 2.362 ( -1.312 0.000 -0.206) 1.328 2.374 ( -0.410 0.000 -0.647) 0.766 2.441 ( -2.662 0.000 -2.632) 3.743 2.586 ( 0.344 0.000 1.378) 1.420 2.644 ( 0.638 0.000 4.228) 4.276 2.657 ( -0.965 0.000 -2.246) 2.445 2.680 ( 4.209 0.000 -2.144) 4.723 2.735 ( -1.247 0.000 -0.986) 1.590 2.736 ( -4.493 0.000 0.766) 4.558 2.764 ( -8.952 0.000 4.780) 10.149 2.774 ( 1.460 0.000 -3.863) 4.130 2.810 ( 0.673 0.000 -1.125) 1.311 2.868 ( 0.252 0.000 -5.623) 5.629 2.961 ( -2.446 0.000 4.527) 5.146 3.005 ( 2.717 0.000 -4.309) 5.094 3.039 ( 0.964 0.000 -0.342) 1.023 3.068 ( 2.193 0.000 6.544) 6.902 3.111 ( 3.347 0.000 -3.982) 5.202 3.134 ( 1.959 0.000 -1.936) 2.754 3.156 ( 0.832 0.000 1.468) 1.687 3.235 ( -0.115 0.000 -3.164) 3.166 3.352 ( -3.822 0.000 2.681) 4.668 3.360 ( 1.445 0.000 -1.645) 2.190 3.475 ( 1.142 0.000 -0.026) 1.143 3.513 ( 1.308 0.000 0.449) 1.383 3.669 ( 0.449 0.000 1.148) 1.233 3.699 ( 0.210 0.000 -0.193) 0.285 4.535 ( 0.134 0.000 -1.928) 1.932 4.555 ( -0.990 0.000 -1.585) 1.869 4.661 ( -0.446 0.000 -0.538) 0.699 4.680 ( -0.897 0.000 -1.642) 1.871 4.915 ( 1.573 0.000 1.251) 2.010 4.945 ( 1.521 0.000 -2.605) 3.017 4.985 ( -2.873 0.000 -0.227) 2.882 5.000 ( 0.221 0.000 -2.004) 2.016 5.158 ( 0.338 0.000 1.540) 1.577 5.199 ( 0.078 0.000 2.608) 2.609 5.236 ( -1.216 0.000 -2.624) 2.892 5.288 ( -0.809 0.000 -2.433) 2.564 5.354 ( 0.102 0.000 0.131) 0.166 5.362 ( -1.214 0.000 0.526) 1.324 5.381 ( 0.292 0.000 1.128) 1.165 5.419 ( -1.371 0.000 -0.515) 1.464 5.454 ( -0.562 0.000 0.328) 0.651 5.484 ( 0.294 0.000 -2.784) 2.800 5.536 ( 0.552 0.000 0.821) 0.990 5.593 ( -1.827 0.000 -1.104) 2.135 5.812 ( -0.641 0.000 1.825) 1.935 5.822 ( 2.736 0.000 -0.355) 2.759 5.920 ( 1.594 0.000 0.320) 1.626 5.931 ( -2.100 0.000 1.789) 2.759 6.241 ( 1.522 0.000 2.665) 3.069 6.250 ( 3.111 0.000 1.457) 3.435 6.346 ( 1.627 0.000 3.118) 3.517 6.378 ( -0.137 0.000 2.256) 2.261 7.514 ( 0.144 0.000 0.905) 0.916 7.528 ( 0.189 0.000 -0.384) 0.428 7.531 ( -0.156 0.000 0.128) 0.202 7.538 ( 0.825 0.000 -0.534) 0.983 7.981 ( 0.831 0.000 0.314) 0.888 8.002 ( 1.363 0.000 -0.075) 1.366 8.003 ( -0.982 0.000 -0.429) 1.072 8.031 ( -0.648 0.000 -2.095) 2.193 8.187 ( -1.496 0.000 2.414) 2.840 8.221 ( -0.150 0.000 3.186) 3.190 8.245 ( -2.355 0.000 -2.033) 3.111 8.292 ( -1.235 0.000 -1.396) 1.864 8.586 ( 0.527 0.000 4.264) 4.297 8.601 ( -0.327 0.000 4.084) 4.097 8.686 ( 1.452 0.000 -3.966) 4.224 8.698 ( 3.106 0.000 -4.159) 5.191 8.922 ( -0.314 0.000 -4.033) 4.045 8.929 ( -2.021 0.000 -2.615) 3.305 9.010 ( -1.895 0.000 -1.437) 2.378 9.019 ( -1.672 0.000 -3.144) 3.561 9.145 ( -0.622 0.000 0.025) 0.622 9.186 ( -0.487 0.000 -2.270) 2.321 9.404 ( -3.654 0.000 -2.263) 4.298 9.449 ( -3.763 0.000 -4.912) 6.187 ======================= Grid point 67 (41/50) ======================= q-point: (-0.43 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( -8.773 0.000 3.754) 9.543 1.090 ( -4.441 0.000 4.821) 6.555 1.237 ( 6.176 0.000 -1.918) 6.467 1.303 ( 3.158 0.000 -4.820) 5.763 1.499 ( 1.095 0.000 -0.307) 1.137 1.571 ( 4.031 0.000 -4.276) 5.876 1.614 ( -0.277 0.000 1.534) 1.559 1.657 ( 3.682 0.000 0.353) 3.699 1.688 ( -3.556 0.000 -0.626) 3.611 1.746 ( 3.506 0.000 -0.272) 3.517 1.765 ( 4.555 0.000 2.163) 5.042 1.766 ( 1.739 0.000 0.583) 1.834 1.818 ( 5.563 0.000 -3.348) 6.493 1.853 ( 1.727 0.000 -1.050) 2.021 1.890 ( 3.203 0.000 5.253) 6.152 1.894 ( -3.505 0.000 0.390) 3.527 1.949 ( -0.032 0.000 -10.527) 10.527 1.974 ( 4.123 0.000 0.218) 4.129 1.999 ( -0.995 0.000 -8.783) 8.839 2.027 ( 4.213 0.000 1.608) 4.509 2.032 ( -0.934 0.000 0.190) 0.953 2.067 ( 0.092 0.000 -2.827) 2.828 2.082 ( 0.543 0.000 -1.789) 1.870 2.116 ( 3.349 0.000 -1.163) 3.545 2.171 ( 2.855 0.000 -0.942) 3.006 2.174 ( 3.307 0.000 1.372) 3.580 2.213 ( 2.239 0.000 3.867) 4.468 2.235 ( -1.390 0.000 -3.100) 3.397 2.317 ( 0.249 0.000 2.088) 2.103 2.328 ( -0.873 0.000 -0.618) 1.070 2.379 ( -1.524 0.000 -1.334) 2.025 2.392 ( 0.888 0.000 2.038) 2.223 2.553 ( -12.306 0.000 10.268) 16.027 2.608 ( -2.654 0.000 -1.375) 2.989 2.631 ( -2.080 0.000 4.096) 4.594 2.657 ( -3.088 0.000 3.229) 4.468 2.699 ( -2.121 0.000 -0.570) 2.197 2.716 ( -0.305 0.000 0.398) 0.501 2.730 ( 2.123 0.000 -0.568) 2.198 2.787 ( -1.932 0.000 1.384) 2.377 2.808 ( -1.568 0.000 1.918) 2.477 2.840 ( 1.807 0.000 -0.704) 1.940 2.881 ( -7.734 0.000 6.025) 9.804 3.008 ( -0.902 0.000 -0.463) 1.014 3.033 ( -1.835 0.000 0.224) 1.848 3.102 ( 1.667 0.000 -5.424) 5.674 3.140 ( -0.043 0.000 1.148) 1.149 3.163 ( 1.877 0.000 -3.111) 3.634 3.200 ( 3.118 0.000 1.079) 3.299 3.211 ( 1.068 0.000 -5.105) 5.216 3.321 ( -1.318 0.000 2.311) 2.661 3.391 ( 2.314 0.000 -1.169) 2.592 3.492 ( -0.002 0.000 1.399) 1.399 3.522 ( 1.234 0.000 -3.502) 3.713 3.665 ( -2.338 0.000 2.820) 3.664 3.681 ( -2.254 0.000 0.349) 2.281 4.533 ( 0.045 0.000 -1.538) 1.539 4.545 ( 1.933 0.000 -0.715) 2.061 4.660 ( 0.625 0.000 0.298) 0.693 4.665 ( 0.510 0.000 -0.985) 1.109 4.911 ( -2.234 0.000 0.447) 2.278 4.952 ( -0.024 0.000 -2.241) 2.241 4.970 ( 0.863 0.000 1.138) 1.428 4.999 ( 2.147 0.000 -1.695) 2.736 5.188 ( 1.209 0.000 2.217) 2.525 5.195 ( -1.115 0.000 -2.216) 2.481 5.228 ( 0.629 0.000 3.151) 3.213 5.256 ( -0.610 0.000 -2.798) 2.864 5.353 ( -0.202 0.000 0.254) 0.324 5.367 ( 1.076 0.000 0.104) 1.081 5.397 ( 0.630 0.000 1.366) 1.505 5.404 ( 0.344 0.000 -0.896) 0.960 5.450 ( -0.186 0.000 0.665) 0.691 5.475 ( 0.398 0.000 -1.606) 1.654 5.560 ( -0.727 0.000 -1.254) 1.450 5.566 ( 1.767 0.000 1.098) 2.081 5.805 ( -1.253 0.000 0.980) 1.591 5.850 ( 0.682 0.000 -1.441) 1.594 5.922 ( 0.647 0.000 0.049) 0.649 5.960 ( 2.836 0.000 -1.063) 3.029 6.249 ( -2.525 0.000 1.385) 2.880 6.274 ( -0.771 0.000 -0.483) 0.910 6.375 ( -1.085 0.000 0.372) 1.147 6.396 ( 1.676 0.000 0.785) 1.851 7.522 ( 0.195 0.000 0.184) 0.268 7.531 ( 0.185 0.000 -0.029) 0.187 7.532 ( 0.662 0.000 -0.832) 1.063 7.553 ( 1.624 0.000 -1.854) 2.465 7.991 ( -0.101 0.000 -0.440) 0.452 7.995 ( 0.897 0.000 0.452) 1.005 8.011 ( -0.301 0.000 -1.512) 1.541 8.017 ( 0.849 0.000 -0.671) 1.083 8.196 ( 0.770 0.000 3.005) 3.102 8.223 ( 0.728 0.000 -1.203) 1.406 8.252 ( 1.570 0.000 2.691) 3.115 8.284 ( 1.135 0.000 -2.731) 2.958 8.601 ( -2.731 0.000 4.796) 5.519 8.605 ( -1.814 0.000 4.172) 4.550 8.668 ( -0.578 0.000 -3.725) 3.769 8.706 ( 0.500 0.000 -5.950) 5.971 8.886 ( -1.096 0.000 -0.600) 1.250 8.892 ( -0.078 0.000 0.042) 0.088 8.987 ( 0.325 0.000 -0.032) 0.327 8.992 ( 0.722 0.000 0.038) 0.723 9.149 ( 0.148 0.000 1.359) 1.367 9.167 ( 0.064 0.000 -1.623) 1.624 9.370 ( 0.440 0.000 2.269) 2.311 9.393 ( 0.529 0.000 -1.203) 1.315 ======================= Grid point 68 (42/50) ======================= q-point: (-0.29 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( 2.281 0.000 18.576) 18.715 1.091 ( -2.913 0.000 14.868) 15.151 1.331 ( 1.393 0.000 -3.048) 3.351 1.354 ( 0.885 0.000 3.419) 3.531 1.537 ( -1.047 0.000 -2.613) 2.815 1.577 ( 9.771 0.000 1.590) 9.899 1.641 ( -0.760 0.000 6.050) 6.098 1.651 ( -3.184 0.000 -6.377) 7.127 1.742 ( 9.030 0.000 -2.355) 9.332 1.780 ( 0.621 0.000 -5.775) 5.809 1.800 ( 2.099 0.000 -5.487) 5.874 1.812 ( 3.812 0.000 -2.340) 4.473 1.826 ( -2.925 0.000 4.551) 5.410 1.883 ( 3.369 0.000 -6.058) 6.931 1.903 ( 1.861 0.000 -6.859) 7.108 1.920 ( 3.911 0.000 -4.326) 5.832 1.973 ( 6.911 0.000 -2.805) 7.459 2.005 ( -0.224 0.000 -3.588) 3.595 2.006 ( 8.882 0.000 -1.767) 9.057 2.014 ( -2.586 0.000 -2.613) 3.676 2.051 ( 0.511 0.000 1.324) 1.419 2.067 ( 2.542 0.000 1.049) 2.750 2.113 ( -1.600 0.000 -2.750) 3.181 2.141 ( 4.100 0.000 3.789) 5.583 2.194 ( 0.509 0.000 -0.380) 0.635 2.229 ( 3.344 0.000 -0.181) 3.349 2.295 ( 5.891 0.000 -0.210) 5.895 2.307 ( 2.334 0.000 1.513) 2.781 2.336 ( 1.572 0.000 -0.656) 1.704 2.367 ( 1.848 0.000 3.645) 4.087 2.370 ( -8.467 0.000 7.691) 11.439 2.393 ( 3.970 0.000 1.918) 4.409 2.468 ( -3.274 0.000 9.840) 10.371 2.553 ( -2.791 0.000 1.158) 3.022 2.612 ( -0.755 0.000 2.610) 2.717 2.646 ( -1.679 0.000 2.798) 3.263 2.651 ( -2.327 0.000 -0.886) 2.490 2.713 ( -4.947 0.000 2.983) 5.777 2.727 ( -0.680 0.000 1.703) 1.834 2.771 ( -7.764 0.000 14.368) 16.332 2.779 ( 0.781 0.000 1.724) 1.893 2.821 ( -2.086 0.000 2.354) 3.145 2.866 ( -1.772 0.000 2.344) 2.938 2.994 ( -2.463 0.000 1.620) 2.947 2.999 ( 1.543 0.000 -0.550) 1.638 3.086 ( 1.981 0.000 -8.869) 9.087 3.116 ( -1.827 0.000 -1.436) 2.324 3.158 ( -0.127 0.000 -2.554) 2.557 3.195 ( 2.198 0.000 -7.210) 7.538 3.249 ( 2.358 0.000 -1.291) 2.689 3.326 ( -0.664 0.000 2.670) 2.751 3.404 ( 0.064 0.000 -0.670) 0.673 3.495 ( -0.543 0.000 0.569) 0.786 3.521 ( 2.044 0.000 -4.338) 4.795 3.625 ( -4.100 0.000 0.495) 4.130 3.634 ( -3.492 0.000 3.173) 4.718 4.537 ( 1.154 0.000 -0.479) 1.250 4.585 ( 2.696 0.000 -0.622) 2.766 4.679 ( 1.382 0.000 -0.961) 1.683 4.685 ( 1.351 0.000 1.016) 1.691 4.892 ( -0.820 0.000 2.366) 2.504 4.914 ( -1.276 0.000 -2.675) 2.964 4.993 ( 0.964 0.000 0.001) 0.964 5.041 ( 2.647 0.000 -1.088) 2.862 5.169 ( -0.140 0.000 -1.189) 1.198 5.225 ( 0.771 0.000 1.848) 2.002 5.232 ( 0.429 0.000 -2.054) 2.099 5.265 ( 0.558 0.000 3.530) 3.574 5.359 ( 1.029 0.000 0.107) 1.034 5.380 ( 0.147 0.000 -0.517) 0.538 5.424 ( 2.635 0.000 -2.006) 3.312 5.428 ( 1.291 0.000 2.305) 2.642 5.461 ( 0.454 0.000 1.574) 1.638 5.474 ( 0.815 0.000 -0.461) 0.937 5.547 ( 0.132 0.000 -1.272) 1.279 5.607 ( 1.400 0.000 1.511) 2.060 5.790 ( -0.323 0.000 -0.425) 0.534 5.841 ( 0.228 0.000 -1.447) 1.465 5.943 ( 2.199 0.000 -2.119) 3.054 6.003 ( 2.932 0.000 -1.598) 3.339 6.182 ( -4.852 0.000 0.012) 4.852 6.225 ( -3.348 0.000 -2.469) 4.160 6.335 ( -3.182 0.000 -1.607) 3.565 6.390 ( -2.066 0.000 -2.653) 3.363 7.525 ( 0.124 0.000 0.131) 0.180 7.536 ( 0.796 0.000 -1.618) 1.803 7.537 ( 0.518 0.000 -0.244) 0.572 7.565 ( 1.525 0.000 -2.647) 3.055 7.981 ( -0.429 0.000 -1.544) 1.603 7.988 ( -0.838 0.000 -1.316) 1.561 8.022 ( 0.495 0.000 1.344) 1.432 8.030 ( 1.287 0.000 -0.737) 1.483 8.234 ( 1.215 0.000 -1.068) 1.617 8.273 ( 4.544 0.000 4.011) 6.060 8.273 ( 0.946 0.000 -3.625) 3.747 8.332 ( 5.230 0.000 1.681) 5.493 8.576 ( -3.360 0.000 4.663) 5.748 8.593 ( -4.727 0.000 -4.338) 6.416 8.606 ( -1.643 0.000 3.618) 3.974 8.618 ( -4.103 0.000 -3.819) 5.605 8.894 ( 1.236 0.000 2.689) 2.959 8.948 ( 3.617 0.000 2.679) 4.502 9.017 ( 0.896 0.000 1.295) 1.575 9.031 ( 3.222 0.000 2.329) 3.976 9.168 ( 0.752 0.000 2.033) 2.168 9.170 ( 1.381 0.000 -1.072) 1.748 9.447 ( 4.576 0.000 2.736) 5.331 9.450 ( 4.028 0.000 6.281) 7.462 ======================= Grid point 69 (43/50) ======================= q-point: (-0.14 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( 1.525 0.000 17.859) 17.924 1.246 ( 5.093 0.000 18.258) 18.955 1.284 ( -3.485 0.000 2.088) 4.062 1.334 ( -4.338 0.000 5.569) 7.059 1.530 ( -1.593 0.000 -10.579) 10.698 1.561 ( 2.821 0.000 0.295) 2.837 1.683 ( -2.048 0.000 8.852) 9.085 1.703 ( -3.872 0.000 -1.847) 4.290 1.739 ( 2.162 0.000 -2.143) 3.044 1.753 ( -3.113 0.000 -6.543) 7.246 1.803 ( 3.790 0.000 -2.328) 4.448 1.848 ( -1.079 0.000 -0.297) 1.119 1.878 ( 5.740 0.000 0.323) 5.749 1.917 ( 1.238 0.000 -4.117) 4.299 1.941 ( 5.520 0.000 0.193) 5.524 1.957 ( 0.258 0.000 -8.061) 8.065 1.959 ( 5.005 0.000 0.216) 5.010 2.013 ( 3.224 0.000 1.398) 3.514 2.027 ( -2.122 0.000 -1.715) 2.729 2.049 ( 0.971 0.000 -0.331) 1.026 2.083 ( -0.693 0.000 1.810) 1.938 2.135 ( 5.346 0.000 1.430) 5.534 2.157 ( 9.740 0.000 -3.417) 10.322 2.208 ( 2.347 0.000 3.537) 4.245 2.234 ( -5.025 0.000 2.366) 5.554 2.307 ( 2.630 0.000 1.552) 3.053 2.324 ( 2.424 0.000 3.668) 4.396 2.330 ( 0.673 0.000 -2.925) 3.002 2.349 ( 2.820 0.000 -0.144) 2.824 2.377 ( 2.674 0.000 1.242) 2.948 2.408 ( 1.091 0.000 0.810) 1.358 2.455 ( 1.671 0.000 -3.116) 3.536 2.488 ( -2.815 0.000 9.911) 10.303 2.571 ( 0.586 0.000 4.486) 4.524 2.605 ( -0.961 0.000 -0.811) 1.258 2.616 ( -3.108 0.000 3.646) 4.791 2.654 ( 1.644 0.000 2.756) 3.210 2.659 ( -2.708 0.000 5.797) 6.398 2.715 ( -3.520 0.000 6.565) 7.449 2.754 ( -4.534 0.000 8.699) 9.810 2.798 ( -1.233 0.000 1.373) 1.845 2.815 ( -3.233 0.000 -0.399) 3.258 2.818 ( -2.078 0.000 2.716) 3.420 3.001 ( 1.283 0.000 3.446) 3.678 3.030 ( 1.918 0.000 -14.155) 14.284 3.043 ( 3.152 0.000 -2.043) 3.756 3.072 ( -0.479 0.000 -2.358) 2.407 3.149 ( 1.641 0.000 -0.744) 1.802 3.176 ( 0.676 0.000 -5.710) 5.750 3.262 ( 0.425 0.000 -2.646) 2.680 3.351 ( 1.254 0.000 4.345) 4.522 3.405 ( 0.824 0.000 -0.732) 1.103 3.476 ( -0.958 0.000 -1.886) 2.115 3.522 ( 0.896 0.000 -3.112) 3.238 3.553 ( -3.474 0.000 0.102) 3.476 3.583 ( -3.881 0.000 1.138) 4.044 4.562 ( 1.587 0.000 0.326) 1.620 4.627 ( 2.504 0.000 -0.687) 2.597 4.679 ( -0.318 0.000 -2.393) 2.414 4.707 ( 0.076 0.000 0.202) 0.216 4.890 ( 0.873 0.000 -1.945) 2.132 4.904 ( -0.315 0.000 1.868) 1.895 5.007 ( 0.675 0.000 0.167) 0.696 5.065 ( 1.116 0.000 -1.748) 2.074 5.179 ( 1.682 0.000 0.453) 1.742 5.240 ( -0.140 0.000 1.216) 1.224 5.255 ( 3.099 0.000 -0.028) 3.099 5.293 ( -0.187 0.000 2.901) 2.907 5.369 ( -0.458 0.000 -0.998) 1.099 5.385 ( 0.824 0.000 0.013) 0.824 5.438 ( 1.378 0.000 -2.935) 3.243 5.458 ( -0.827 0.000 2.471) 2.606 5.502 ( 2.927 0.000 2.251) 3.693 5.515 ( 2.983 0.000 0.114) 2.985 5.537 ( -0.331 0.000 -0.741) 0.812 5.624 ( -0.855 0.000 1.075) 1.374 5.803 ( 2.485 0.000 -0.884) 2.638 5.850 ( 1.713 0.000 -1.420) 2.225 5.977 ( 3.621 0.000 -1.767) 4.029 6.038 ( 0.489 0.000 0.053) 0.492 6.099 ( -2.132 0.000 -1.121) 2.409 6.123 ( -5.172 0.000 -2.954) 5.956 6.232 ( -6.086 0.000 -2.761) 6.683 6.287 ( -6.216 0.000 -3.245) 7.012 7.531 ( 0.151 0.000 0.557) 0.577 7.536 ( 0.529 0.000 -1.420) 1.516 7.543 ( 0.227 0.000 -0.353) 0.420 7.569 ( 0.850 0.000 -2.268) 2.422 7.963 ( 0.381 0.000 -1.585) 1.630 7.974 ( 0.234 0.000 -0.592) 0.637 8.010 ( -1.823 0.000 -0.413) 1.869 8.035 ( -1.164 0.000 -0.041) 1.165 8.263 ( 3.131 0.000 -0.239) 3.140 8.299 ( 3.712 0.000 -0.874) 3.813 8.383 ( 2.093 0.000 2.788) 3.486 8.430 ( 2.540 0.000 -0.282) 2.556 8.495 ( -0.136 0.000 -0.999) 1.008 8.526 ( -2.896 0.000 -1.678) 3.347 8.549 ( -3.270 0.000 3.858) 5.057 8.592 ( -2.690 0.000 2.763) 3.856 8.956 ( 2.433 0.000 3.198) 4.019 9.019 ( 2.169 0.000 1.426) 2.596 9.038 ( 0.476 0.000 1.412) 1.490 9.097 ( 2.211 0.000 -1.027) 2.438 9.203 ( 2.636 0.000 0.103) 2.638 9.206 ( 1.263 0.000 2.385) 2.699 9.576 ( 3.763 0.000 6.168) 7.225 9.580 ( 6.514 0.000 3.152) 7.237 ======================= Grid point 70 (44/50) ======================= q-point: ( 0.00 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( 0.242 0.520 14.358) 14.369 1.268 ( 3.185 -7.004 16.521) 18.224 1.435 ( -2.734 6.431 1.091) 7.072 1.464 ( -2.009 3.439 1.344) 4.204 1.499 ( -4.342 3.265 9.397) 10.855 1.544 ( -4.230 -1.801 5.325) 7.035 1.591 ( -3.115 -2.325 -8.613) 9.450 1.610 ( -3.293 -4.127 -4.183) 6.736 1.709 ( -0.466 2.214 -4.537) 5.070 1.774 ( 1.447 -0.962 -5.233) 5.514 1.798 ( -2.433 -0.584 0.328) 2.524 1.838 ( -0.259 0.732 2.207) 2.339 1.882 ( 0.804 -1.156 0.170) 1.418 1.923 ( 0.656 -0.879 -1.135) 1.578 1.964 ( -0.507 2.644 -0.292) 2.708 1.970 ( 1.568 1.328 1.513) 2.551 1.987 ( -0.678 -0.301 1.588) 1.753 2.036 ( -2.034 -2.414 -2.936) 4.311 2.065 ( 1.514 0.064 -1.381) 2.050 2.076 ( -0.763 -1.309 -0.939) 1.782 2.153 ( 3.605 2.413 5.337) 6.878 2.172 ( 3.285 0.588 -0.770) 3.425 2.195 ( 0.718 2.724 -1.980) 3.443 2.236 ( -3.311 0.129 0.478) 3.348 2.286 ( -0.714 0.740 3.092) 3.259 2.300 ( 0.845 -0.691 1.090) 1.542 2.355 ( -0.420 0.134 0.852) 0.960 2.375 ( 2.719 -1.805 1.205) 3.479 2.403 ( 2.471 0.632 0.715) 2.649 2.414 ( -0.523 -0.412 1.076) 1.265 2.437 ( 0.932 1.865 1.868) 2.799 2.475 ( -0.056 -2.219 3.649) 4.271 2.491 ( 0.713 0.627 0.358) 1.015 2.528 ( 1.210 -3.165 1.363) 3.652 2.593 ( -1.447 0.508 4.544) 4.796 2.633 ( 0.397 -3.699 7.746) 8.593 2.663 ( -3.787 1.081 1.915) 4.379 2.681 ( -3.735 -0.775 0.963) 3.935 2.703 ( 2.613 1.847 1.834) 3.688 2.724 ( 2.513 -0.015 2.730) 3.710 2.775 ( -1.252 -0.233 -0.900) 1.560 2.780 ( -1.032 -0.823 -1.082) 1.707 2.878 ( 2.670 3.898 -3.854) 6.098 2.932 ( 2.143 -2.837 -9.411) 10.060 3.043 ( 0.544 0.972 0.179) 1.128 3.062 ( 0.660 -1.191 1.081) 1.739 3.113 ( 2.537 1.653 -3.584) 4.692 3.130 ( 0.814 -0.203 -6.693) 6.745 3.207 ( 0.883 1.691 -0.546) 1.984 3.233 ( 0.151 -0.991 -2.712) 2.891 3.406 ( -0.855 -0.195 1.545) 1.776 3.411 ( -0.547 -0.579 3.493) 3.582 3.461 ( 1.262 1.053 -3.150) 3.553 3.484 ( 0.791 -1.519 -2.879) 3.350 3.534 ( 1.347 0.872 -0.365) 1.645 3.540 ( -0.561 0.296 -0.790) 1.013 4.609 ( 0.954 1.014 -0.322) 1.429 4.627 ( -0.633 -0.848 -2.089) 2.341 4.673 ( 1.126 0.150 -0.414) 1.209 4.682 ( 0.241 -0.606 -1.299) 1.454 4.898 ( -0.065 0.460 0.380) 0.600 4.908 ( 0.757 -0.360 -0.240) 0.872 5.030 ( 0.159 0.972 -0.480) 1.096 5.050 ( 0.081 -1.062 -1.976) 2.245 5.230 ( 1.439 0.252 0.985) 1.762 5.235 ( -0.172 -0.306 0.516) 0.624 5.312 ( -0.252 0.898 0.823) 1.244 5.321 ( 1.373 0.025 -0.034) 1.374 5.360 ( 1.314 -0.102 -0.176) 1.330 5.368 ( -0.635 -0.602 -0.776) 1.170 5.433 ( -1.956 0.104 0.414) 2.002 5.441 ( 0.401 -0.808 -0.610) 1.089 5.545 ( 0.203 1.241 0.831) 1.507 5.556 ( -0.264 0.394 -0.034) 0.475 5.577 ( 2.568 0.123 0.745) 2.677 5.590 ( -0.692 -0.892 -0.513) 1.241 5.846 ( 0.570 0.091 -0.869) 1.043 5.849 ( -0.798 -0.221 -1.214) 1.469 5.998 ( -1.466 -0.062 1.273) 1.942 6.011 ( -2.013 -1.529 -0.053) 2.528 6.084 ( 3.104 2.432 0.861) 4.036 6.111 ( -3.277 1.934 -1.306) 4.023 6.125 ( 0.254 -1.756 -0.570) 1.864 6.140 ( -2.765 -1.046 -1.869) 3.497 7.535 ( -0.502 0.054 0.231) 0.555 7.536 ( -0.319 -0.071 0.484) 0.584 7.544 ( 0.087 0.641 -0.710) 0.961 7.556 ( 0.071 -0.637 -1.280) 1.432 7.962 ( -0.549 -0.315 -0.564) 0.848 7.965 ( 0.277 -0.647 -0.902) 1.145 8.002 ( 0.438 0.685 0.262) 0.854 8.006 ( -0.588 0.298 -0.097) 0.666 8.344 ( 1.426 0.715 0.605) 1.706 8.347 ( -0.917 0.704 0.509) 1.263 8.371 ( 2.351 -0.395 0.494) 2.434 8.379 ( -3.575 -0.965 -0.019) 3.703 8.519 ( -3.669 0.830 2.343) 4.432 8.536 ( -3.826 -0.955 1.849) 4.355 8.561 ( 4.965 0.262 -1.661) 5.242 8.565 ( 5.161 -0.202 -0.998) 5.260 9.019 ( 1.020 0.744 2.112) 2.460 9.034 ( 0.618 -0.870 1.241) 1.637 9.070 ( 0.204 1.119 -0.755) 1.365 9.089 ( 0.147 -0.912 -2.211) 2.396 9.238 ( 0.631 0.265 0.591) 0.904 9.243 ( 1.375 -0.349 -0.072) 1.420 9.659 ( 0.902 0.869 2.167) 2.503 9.676 ( 2.333 -0.944 0.373) 2.545 ======================= Grid point 71 (45/50) ======================= q-point: ( 0.14 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( 0.681 4.211 7.915) 8.991 1.326 ( -1.909 1.546 -2.484) 3.493 1.440 ( -3.788 -1.891 4.816) 6.413 1.464 ( -0.134 -2.902 -1.554) 3.295 1.478 ( 0.015 3.432 6.785) 7.604 1.509 ( -0.245 -1.476 -1.056) 1.831 1.534 ( -3.415 -1.411 9.618) 10.303 1.578 ( -0.291 -3.501 11.150) 11.691 1.660 ( -1.712 2.212 -2.061) 3.474 1.716 ( -3.043 -3.816 -1.732) 5.179 1.755 ( -7.257 3.290 6.003) 9.976 1.820 ( -2.697 3.249 -2.585) 4.952 1.865 ( -3.527 -1.547 -1.717) 4.217 1.874 ( -5.929 -3.588 0.555) 6.953 1.889 ( -5.228 -1.531 -4.860) 7.300 1.925 ( 2.961 -2.574 -2.438) 4.619 1.972 ( -1.287 2.775 -1.225) 3.295 2.011 ( -1.809 -0.532 -0.336) 1.916 2.076 ( -1.813 2.919 -1.729) 3.847 2.098 ( 0.293 0.118 0.004) 0.315 2.139 ( 1.631 1.692 -2.620) 3.519 2.174 ( -0.472 -0.594 -0.819) 1.116 2.190 ( -2.866 3.998 -0.545) 4.949 2.224 ( -2.816 0.858 2.112) 3.623 2.269 ( -3.485 -2.427 0.936) 4.349 2.274 ( -2.791 -3.703 -0.436) 4.657 2.329 ( -1.974 3.491 -0.098) 4.011 2.360 ( -2.360 1.086 -0.775) 2.711 2.404 ( 0.160 -0.853 -2.967) 3.091 2.416 ( -1.956 -1.227 -3.994) 4.613 2.446 ( -0.475 1.663 -0.698) 1.865 2.470 ( -0.490 -0.270 -4.396) 4.432 2.539 ( 2.391 0.260 2.523) 3.486 2.574 ( 4.077 -2.213 1.529) 4.884 2.610 ( -1.883 2.383 9.041) 9.537 2.640 ( -1.470 -0.178 3.639) 3.929 2.660 ( 1.465 1.372 2.572) 3.263 2.716 ( 1.690 -3.968 4.919) 6.542 2.759 ( 1.962 1.580 -0.512) 2.571 2.780 ( 2.274 -0.834 0.079) 2.424 2.790 ( 5.984 -1.038 -2.363) 6.517 2.815 ( 3.610 -2.083 0.933) 4.271 2.907 ( 2.745 -0.496 -7.748) 8.235 2.912 ( 3.536 -0.053 -6.490) 7.391 3.051 ( -0.849 2.471 0.868) 2.753 3.076 ( 0.186 0.301 -0.562) 0.664 3.084 ( -0.219 0.725 -5.224) 5.278 3.105 ( 1.476 -1.168 -5.488) 5.802 3.197 ( -1.909 0.991 -0.813) 2.299 3.216 ( 0.388 -1.022 0.309) 1.136 3.394 ( -1.687 0.154 1.337) 2.158 3.412 ( -0.723 -1.669 2.221) 2.871 3.481 ( 2.966 4.002 -3.042) 5.837 3.514 ( 0.874 3.132 -0.378) 3.274 3.544 ( 3.417 -2.147 -1.767) 4.405 3.570 ( 2.626 -2.622 -0.086) 3.712 4.604 ( -0.295 0.948 -1.609) 1.891 4.621 ( -0.124 -0.774 -0.152) 0.799 4.659 ( -0.176 0.991 -1.256) 1.610 4.687 ( 0.274 -1.934 -1.245) 2.316 4.898 ( 0.280 2.102 -0.159) 2.127 4.926 ( 1.394 -0.844 -1.029) 1.927 5.030 ( -0.126 -0.176 0.301) 0.371 5.035 ( -0.225 -0.610 -1.430) 1.571 5.207 ( -2.338 1.103 -0.872) 2.728 5.233 ( -1.698 -1.798 -0.859) 2.618 5.296 ( -0.920 1.900 -0.576) 2.188 5.325 ( 0.028 -1.259 -0.420) 1.327 5.345 ( -0.547 0.563 -0.495) 0.928 5.365 ( -0.441 -1.470 -0.413) 1.590 5.428 ( 0.054 2.068 0.988) 2.293 5.463 ( 0.330 -1.944 0.790) 2.124 5.524 ( -1.910 0.590 -1.131) 2.297 5.527 ( -1.509 0.563 -0.559) 1.704 5.577 ( -0.465 1.888 -1.196) 2.283 5.614 ( 0.882 -1.952 -0.192) 2.150 5.799 ( -2.704 0.744 0.481) 2.845 5.818 ( -1.983 -1.114 0.844) 2.426 5.976 ( -4.380 1.695 0.333) 4.709 6.009 ( -3.717 -1.818 1.342) 4.350 6.066 ( 3.203 0.148 1.741) 3.649 6.067 ( 2.965 0.007 2.031) 3.593 6.199 ( 5.227 1.747 1.977) 5.855 6.230 ( 5.125 -1.520 1.529) 5.560 7.523 ( -0.909 0.458 0.477) 1.124 7.532 ( -0.644 -0.513 0.781) 1.135 7.539 ( -0.309 0.333 -0.100) 0.465 7.545 ( -0.395 -0.292 -0.671) 0.832 7.948 ( -0.232 0.196 0.016) 0.304 7.957 ( -0.153 -0.929 -0.130) 0.951 8.019 ( 1.349 1.145 0.051) 1.770 8.032 ( 1.775 -0.356 0.289) 1.833 8.268 ( -4.227 0.824 0.136) 4.309 8.284 ( -4.771 -0.920 0.050) 4.859 8.416 ( 0.414 0.473 -0.040) 0.630 8.419 ( -2.024 0.077 0.604) 2.113 8.477 ( -1.198 0.335 1.300) 1.800 8.488 ( 1.110 -0.811 1.247) 1.856 8.629 ( 4.300 0.525 -3.144) 5.353 8.639 ( 4.164 -0.574 -2.547) 4.914 9.024 ( -1.287 0.347 -1.877) 2.302 9.027 ( -1.175 0.005 -0.273) 1.206 9.068 ( -0.287 0.137 0.415) 0.523 9.072 ( -0.022 -0.360 -1.749) 1.786 9.230 ( -1.009 0.713 -1.626) 2.042 9.245 ( -0.381 -0.850 -1.979) 2.187 9.636 ( -3.351 1.410 -1.635) 3.986 9.663 ( -2.382 -1.394 -3.117) 4.163 ======================= Grid point 72 (46/50) ======================= q-point: ( 0.29 0.33 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( -0.858 -0.956 -7.153) 7.268 1.279 ( -0.390 -2.812 -8.716) 9.167 1.430 ( -2.762 3.474 0.752) 4.502 1.476 ( -1.469 0.422 -3.008) 3.374 1.483 ( -0.914 2.170 4.236) 4.846 1.528 ( -3.062 -0.859 7.854) 8.474 1.551 ( -1.505 -0.283 9.070) 9.198 1.577 ( -2.860 -2.357 7.883) 8.711 1.637 ( -8.509 1.526 -1.231) 8.732 1.671 ( -3.922 -1.801 -0.061) 4.316 1.691 ( -0.656 3.179 5.553) 6.432 1.735 ( -1.766 -0.181 -2.311) 2.914 1.768 ( -2.066 -3.373 -4.150) 5.733 1.786 ( 2.211 -2.056 2.774) 4.100 1.873 ( 0.048 0.576 2.313) 2.384 1.923 ( -2.372 2.351 0.695) 3.411 1.944 ( 1.044 0.024 0.277) 1.081 1.996 ( -1.946 0.619 -0.506) 2.104 2.003 ( -4.469 2.263 -1.360) 5.191 2.048 ( -4.252 -3.019 -3.560) 6.314 2.085 ( -0.716 4.238 -0.765) 4.366 2.129 ( -2.767 -1.697 -4.336) 5.417 2.137 ( -1.195 2.624 -1.916) 3.462 2.185 ( -3.344 1.287 -1.180) 3.772 2.216 ( -2.607 -3.360 -0.334) 4.266 2.251 ( -1.754 -0.254 -0.604) 1.872 2.295 ( 0.226 -1.615 1.617) 2.297 2.303 ( -3.193 -0.243 -6.149) 6.932 2.331 ( -1.363 0.805 0.258) 1.604 2.352 ( -2.357 -0.892 -0.492) 2.568 2.427 ( -1.097 1.300 -2.154) 2.745 2.456 ( 0.289 -1.931 -3.056) 3.626 2.596 ( 1.377 0.807 3.467) 3.817 2.599 ( -0.368 0.745 1.774) 1.959 2.646 ( 2.418 0.487 -2.131) 3.260 2.659 ( 1.293 -1.123 -1.602) 2.345 2.737 ( 1.458 0.156 1.094) 1.829 2.751 ( 0.492 -0.864 -0.707) 1.220 2.784 ( 0.772 0.706 1.872) 2.144 2.807 ( -0.762 -1.506 -0.665) 1.814 2.852 ( 4.158 0.128 -8.746) 9.685 2.870 ( 2.445 -1.274 -4.039) 4.891 2.908 ( 1.334 1.673 1.369) 2.541 2.954 ( 3.759 -2.842 3.670) 5.972 3.020 ( -0.389 1.805 -1.544) 2.407 3.040 ( 0.431 -0.652 -1.670) 1.844 3.087 ( -0.955 1.327 0.136) 1.640 3.113 ( 2.850 -1.297 -5.360) 6.208 3.172 ( -0.240 3.099 0.718) 3.190 3.225 ( 0.010 -2.634 0.242) 2.645 3.378 ( -0.598 1.952 0.180) 2.050 3.417 ( -0.787 -2.048 2.287) 3.169 3.492 ( 0.207 6.286 -1.200) 6.403 3.523 ( 0.823 3.482 -0.401) 3.601 3.599 ( 2.271 -2.975 0.488) 3.774 3.625 ( 3.503 -4.899 -1.129) 6.128 4.582 ( -0.753 2.081 -2.106) 3.055 4.598 ( -1.219 0.662 -0.822) 1.613 4.658 ( -0.147 -0.897 -0.773) 1.194 4.673 ( -0.224 -2.837 -1.431) 3.185 4.906 ( 0.846 2.339 -0.421) 2.523 4.936 ( 0.956 -0.987 -1.954) 2.389 5.017 ( -0.472 0.225 -1.357) 1.454 5.025 ( -1.003 -0.473 0.043) 1.109 5.168 ( -1.151 1.153 0.357) 1.667 5.190 ( -1.592 -1.168 0.461) 2.027 5.283 ( -0.332 1.910 -1.206) 2.283 5.318 ( -0.545 -1.043 -1.526) 1.928 5.334 ( -0.436 -0.790 0.056) 0.904 5.352 ( -0.337 -1.623 -0.264) 1.678 5.411 ( -2.308 1.781 0.445) 2.949 5.438 ( -2.522 -1.334 -0.046) 2.854 5.493 ( -0.579 1.219 -1.062) 1.717 5.505 ( 0.057 -0.119 -2.277) 2.281 5.555 ( -1.131 2.233 -0.133) 2.507 5.602 ( -1.501 -2.890 -0.572) 3.306 5.792 ( 1.012 1.460 1.388) 2.254 5.815 ( 0.541 -0.504 1.295) 1.491 5.920 ( -2.258 1.718 1.745) 3.331 5.953 ( -3.073 -1.472 1.923) 3.912 6.159 ( 4.428 0.074 2.470) 5.071 6.164 ( 4.257 -0.334 2.979) 5.207 6.294 ( 2.873 1.272 2.952) 4.311 6.321 ( 2.732 -1.511 2.651) 4.095 7.515 ( -0.453 0.617 0.851) 1.145 7.527 ( -0.476 -0.635 0.583) 0.985 7.533 ( -0.195 0.138 -0.062) 0.247 7.535 ( -0.211 -0.098 -0.242) 0.335 7.958 ( 1.089 0.225 0.445) 1.198 7.967 ( 1.023 -0.731 0.338) 1.302 8.034 ( -0.000 1.220 -0.332) 1.265 8.050 ( 0.076 -0.600 -0.949) 1.125 8.211 ( -2.351 0.208 1.260) 2.675 8.216 ( -2.739 -0.354 1.450) 3.119 8.338 ( -4.742 0.620 -1.511) 5.016 8.349 ( -4.395 -0.584 -1.031) 4.552 8.531 ( 2.848 0.954 2.686) 4.030 8.549 ( 2.408 -0.957 2.551) 3.637 8.670 ( 3.344 0.349 -4.099) 5.302 8.678 ( 2.802 -0.409 -3.793) 4.734 8.972 ( -1.626 0.607 -3.608) 4.003 8.984 ( -2.292 -0.588 -2.124) 3.180 9.055 ( -1.351 0.152 -0.469) 1.438 9.057 ( -0.484 -0.116 -1.999) 2.060 9.187 ( -1.609 1.016 -2.402) 3.065 9.208 ( -1.233 -1.272 -2.875) 3.377 9.531 ( -5.212 1.671 -3.988) 6.772 9.560 ( -4.859 -1.448 -5.110) 7.199 ======================= Grid point 73 (47/50) ======================= q-point: (-0.57 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( 0.780 3.869 -8.908) 9.743 1.246 ( -5.920 0.622 -6.295) 8.664 1.280 ( -2.487 2.852 0.682) 3.845 1.385 ( -3.775 -2.736 -0.402) 4.679 1.448 ( -3.840 2.208 -4.944) 6.638 1.466 ( -4.565 1.729 -4.717) 6.788 1.595 ( 3.932 -0.818 3.386) 5.253 1.611 ( -0.164 -3.964 5.246) 6.577 1.655 ( 3.162 0.183 7.853) 8.467 1.674 ( 1.433 -4.385 0.915) 4.703 1.716 ( 2.065 -0.634 2.045) 2.975 1.721 ( 0.322 -1.835 -0.323) 1.891 1.754 ( 3.616 1.091 3.024) 4.839 1.790 ( -1.113 -2.840 1.009) 3.213 1.874 ( -4.495 3.020 -0.813) 5.476 1.885 ( -2.891 1.438 -2.675) 4.193 1.938 ( 1.652 1.981 -1.577) 3.023 1.973 ( 0.204 -1.167 -1.664) 2.042 1.983 ( 0.613 1.566 2.908) 3.359 2.012 ( -1.416 -2.819 -5.937) 6.723 2.056 ( -0.476 -0.424 -1.146) 1.312 2.066 ( 1.751 -2.233 -0.305) 2.854 2.122 ( 0.615 2.935 0.215) 3.006 2.138 ( -0.131 2.895 0.109) 2.900 2.167 ( -1.503 -1.568 -0.208) 2.182 2.178 ( -1.590 0.515 -4.814) 5.096 2.261 ( -0.634 2.436 -1.658) 3.015 2.285 ( -1.452 0.484 -0.260) 1.552 2.305 ( -1.465 -1.396 -1.800) 2.708 2.326 ( -1.880 -2.658 0.253) 3.266 2.395 ( -0.427 1.680 -0.692) 1.867 2.426 ( -1.501 -1.563 -1.199) 2.477 2.608 ( -0.191 2.170 1.544) 2.670 2.633 ( -0.276 -0.359 1.928) 1.981 2.653 ( -0.174 -0.822 -1.419) 1.649 2.665 ( -0.640 -2.267 0.226) 2.366 2.722 ( -1.797 -0.251 -1.216) 2.184 2.731 ( -1.284 -1.132 -0.771) 1.878 2.769 ( -1.846 1.077 -0.594) 2.218 2.782 ( -2.848 -0.212 -0.040) 2.856 2.812 ( -1.263 1.951 1.187) 2.610 2.854 ( -0.952 -1.799 -1.398) 2.470 2.997 ( 1.022 2.539 1.754) 3.251 3.018 ( 2.215 0.533 -1.609) 2.789 3.035 ( 1.987 0.365 -2.046) 2.875 3.070 ( 3.115 -3.140 -2.469) 5.066 3.076 ( 1.562 1.309 2.675) 3.363 3.111 ( 0.754 -2.182 -2.198) 3.188 3.185 ( 0.611 2.211 0.677) 2.392 3.220 ( 0.342 -1.591 -1.881) 2.487 3.380 ( 1.043 2.672 -0.446) 2.902 3.398 ( -2.728 2.002 1.535) 3.716 3.505 ( 1.138 1.199 0.776) 1.826 3.519 ( -1.008 2.090 -0.127) 2.324 3.630 ( 0.314 -2.340 1.426) 2.758 3.664 ( 1.601 -3.795 -1.343) 4.332 4.556 ( -0.133 2.015 -1.619) 2.588 4.571 ( -0.777 1.074 -1.474) 1.982 4.641 ( -0.399 -1.264 -0.975) 1.646 4.656 ( -0.536 -2.210 -1.486) 2.716 4.926 ( 1.246 1.065 0.199) 1.652 4.942 ( 1.362 -0.561 -1.556) 2.143 4.992 ( -1.826 0.636 -0.525) 2.003 5.000 ( -0.489 -0.177 -1.391) 1.485 5.169 ( 0.259 1.116 1.442) 1.842 5.189 ( 0.052 -0.956 1.618) 1.880 5.257 ( -1.119 2.064 -1.275) 2.672 5.289 ( -0.770 -0.569 -1.996) 2.214 5.332 ( 0.033 -1.062 0.385) 1.130 5.351 ( -0.011 -2.070 -0.336) 2.097 5.377 ( -1.121 1.034 0.372) 1.570 5.399 ( -1.113 -1.456 -0.743) 1.978 5.476 ( -0.866 1.492 -0.284) 1.748 5.490 ( 0.354 0.021 -2.418) 2.444 5.546 ( -0.030 1.119 0.772) 1.360 5.572 ( -1.051 -1.795 -0.356) 2.110 5.829 ( 0.776 1.489 1.284) 2.114 5.839 ( 1.373 0.830 0.227) 1.620 5.918 ( 0.524 0.092 1.339) 1.440 5.927 ( -0.973 -0.516 1.383) 1.768 6.244 ( 2.251 0.361 2.387) 3.301 6.250 ( 2.806 -0.190 1.897) 3.392 6.346 ( 0.931 0.277 2.564) 2.742 6.362 ( -0.013 -1.386 2.201) 2.601 7.518 ( 0.023 0.355 0.752) 0.832 7.524 ( -0.123 -0.342 0.317) 0.482 7.533 ( 0.389 0.216 -0.405) 0.601 7.537 ( 0.710 -0.169 -0.532) 0.903 7.983 ( 0.968 0.240 0.252) 1.029 7.989 ( 0.857 -0.577 0.115) 1.040 8.018 ( -0.532 0.779 -0.981) 1.361 8.028 ( -0.742 -0.365 -1.724) 1.912 8.193 ( -1.204 0.737 2.489) 2.862 8.209 ( -0.673 -0.982 2.627) 2.884 8.259 ( -1.890 1.244 -1.505) 2.718 8.281 ( -1.456 -1.127 -1.441) 2.338 8.589 ( 0.289 0.375 4.181) 4.208 8.597 ( -0.142 -0.444 4.086) 4.113 8.689 ( 1.909 0.302 -4.019) 4.460 8.695 ( 2.739 -0.287 -4.126) 4.960 8.923 ( -0.805 0.159 -3.552) 3.645 8.927 ( -1.599 -0.229 -2.903) 3.323 9.012 ( -1.800 0.272 -1.988) 2.695 9.017 ( -1.694 -0.220 -2.832) 3.307 9.154 ( -0.604 0.941 -0.422) 1.195 9.174 ( -0.532 -1.160 -1.541) 2.001 9.417 ( -3.675 1.315 -3.006) 4.927 9.439 ( -3.732 -1.052 -4.303) 5.792 ======================= Grid point 74 (48/50) ======================= q-point: (-0.43 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( -7.964 8.986 1.979) 12.169 1.181 ( -0.252 2.985 0.827) 3.107 1.257 ( -4.128 4.567 4.926) 7.885 1.371 ( 0.937 4.459 -5.111) 6.847 1.393 ( 4.944 -4.206 1.486) 6.659 1.476 ( 8.425 -8.093 -4.090) 12.377 1.590 ( -2.571 -4.544 2.312) 5.710 1.671 ( 3.301 -7.422 -0.714) 8.154 1.694 ( -1.093 3.252 -3.436) 4.856 1.708 ( 2.971 1.992 -0.515) 3.614 1.781 ( 4.375 0.898 2.650) 5.194 1.817 ( 0.832 -0.278 0.409) 0.968 1.819 ( 2.076 -0.918 2.088) 3.084 1.837 ( 1.052 -2.374 0.434) 2.633 1.852 ( 6.604 2.829 -2.420) 7.581 1.868 ( -1.839 1.879 -2.369) 3.539 1.904 ( 2.947 -2.807 -6.146) 7.372 1.948 ( 2.285 -4.432 -2.896) 5.766 1.973 ( 2.325 -0.999 -3.729) 4.506 1.987 ( 5.616 -2.410 -1.434) 6.277 2.071 ( -1.251 2.274 -1.719) 3.113 2.082 ( -0.178 1.103 -0.820) 1.386 2.120 ( -0.029 2.590 0.201) 2.598 2.145 ( 0.238 0.175 -1.591) 1.618 2.183 ( -0.411 1.970 -3.129) 3.720 2.195 ( 3.357 0.768 1.224) 3.655 2.227 ( -0.286 2.109 0.950) 2.331 2.262 ( 1.552 1.328 -0.122) 2.046 2.295 ( -0.439 -2.276 -0.045) 2.318 2.299 ( 1.205 -1.833 1.640) 2.738 2.390 ( -1.301 0.995 0.399) 1.686 2.400 ( -0.087 0.173 0.736) 0.761 2.566 ( -10.184 1.965 8.350) 13.315 2.605 ( -3.408 -0.850 2.878) 4.541 2.627 ( -1.835 -0.162 2.756) 3.315 2.644 ( -1.646 -1.510 2.580) 3.412 2.684 ( -1.162 -1.373 -0.007) 1.799 2.692 ( -4.416 -3.551 2.295) 6.113 2.747 ( -1.956 1.726 1.126) 2.841 2.766 ( 0.217 0.565 1.112) 1.266 2.794 ( -1.687 1.821 1.837) 3.088 2.832 ( -0.973 -1.184 0.574) 1.636 2.975 ( -0.998 3.922 0.009) 4.047 3.017 ( -1.866 -1.613 -0.261) 2.480 3.044 ( 1.336 3.410 -3.019) 4.746 3.092 ( 1.526 -0.987 -3.153) 3.640 3.113 ( 0.030 -2.117 0.001) 2.117 3.134 ( 1.810 -1.031 -2.109) 2.964 3.207 ( 1.389 0.563 -1.068) 1.840 3.217 ( 1.397 -0.258 -2.028) 2.476 3.367 ( -1.345 3.787 1.259) 4.212 3.411 ( 2.563 0.171 -0.089) 2.570 3.482 ( -2.857 1.350 1.147) 3.361 3.533 ( 0.782 -0.962 0.380) 1.297 3.628 ( -1.709 -1.257 1.274) 2.475 3.659 ( -1.134 -2.760 -0.951) 3.132 4.555 ( 0.437 2.007 -1.389) 2.480 4.562 ( 1.671 1.396 -0.686) 2.283 4.640 ( 0.629 -1.639 -0.204) 1.767 4.643 ( 0.546 -1.899 -0.923) 2.181 4.921 ( -2.061 0.969 0.116) 2.281 4.938 ( -1.174 -0.891 -0.641) 1.607 4.990 ( 1.849 1.147 -0.418) 2.216 5.000 ( 2.217 -0.075 -1.227) 2.535 5.190 ( 0.584 0.172 1.368) 1.497 5.193 ( -0.403 -0.187 -0.503) 0.671 5.245 ( 0.074 1.862 1.578) 2.441 5.266 ( -0.155 0.516 -1.731) 1.813 5.334 ( -0.356 -1.500 0.380) 1.588 5.348 ( 0.501 -2.084 -0.415) 2.184 5.382 ( 0.968 -0.166 0.879) 1.318 5.390 ( 0.844 -0.986 -0.754) 1.501 5.463 ( -0.525 1.339 0.433) 1.502 5.482 ( 0.277 -0.469 -1.247) 1.361 5.554 ( 0.092 0.639 0.404) 0.762 5.569 ( 1.112 -0.543 -0.346) 1.285 5.828 ( -1.094 1.989 0.702) 2.376 5.852 ( -0.313 -0.392 -0.407) 0.646 5.935 ( 1.786 1.404 -0.594) 2.348 5.956 ( 2.716 -0.655 -1.072) 2.992 6.256 ( -2.368 0.828 0.945) 2.681 6.271 ( -1.388 -0.555 -0.022) 1.495 6.368 ( -0.282 -0.166 0.493) 0.592 6.381 ( 1.226 -1.378 0.595) 1.938 7.524 ( 0.165 0.138 0.187) 0.285 7.527 ( 0.202 -0.214 0.102) 0.312 7.539 ( 0.891 0.590 -1.142) 1.564 7.549 ( 1.405 -0.457 -1.644) 2.210 7.991 ( -0.016 0.253 -0.460) 0.525 7.997 ( 0.555 -0.172 -0.458) 0.740 8.012 ( 0.147 0.206 -0.788) 0.827 8.016 ( 0.782 -0.181 -0.560) 0.979 8.204 ( 0.626 0.854 2.699) 2.900 8.219 ( 0.520 -0.625 1.011) 1.297 8.255 ( 1.647 0.685 0.182) 1.794 8.273 ( 1.353 -1.064 -2.118) 2.729 8.601 ( -2.520 0.048 4.583) 5.231 8.603 ( -2.066 -0.210 4.294) 4.770 8.678 ( -0.335 0.999 -4.205) 4.335 8.697 ( 0.199 -0.997 -5.332) 5.428 8.888 ( -0.859 0.181 -0.421) 0.973 8.891 ( -0.346 -0.134 -0.094) 0.383 8.988 ( 0.404 0.118 -0.096) 0.431 8.990 ( 0.604 -0.157 -0.065) 0.627 9.153 ( 0.172 0.422 0.718) 0.851 9.162 ( 0.131 -0.495 -0.742) 0.902 9.378 ( 0.477 0.697 1.306) 1.555 9.389 ( 0.521 -0.496 -0.403) 0.824 ======================= Grid point 75 (49/50) ======================= q-point: (-0.29 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( -3.721 4.808 11.775) 13.252 1.160 ( -4.766 -11.009 3.975) 12.638 1.268 ( -0.022 12.664 13.861) 18.775 1.412 ( 3.455 0.517 2.816) 4.487 1.571 ( 8.473 -1.356 3.816) 9.391 1.601 ( 2.525 4.107 -1.392) 5.018 1.627 ( 5.364 -4.231 -2.403) 7.242 1.655 ( 4.389 -0.678 -2.011) 4.875 1.693 ( -1.710 1.791 -5.186) 5.747 1.726 ( 1.995 -1.615 -3.198) 4.101 1.746 ( 0.951 -4.116 -2.693) 5.010 1.799 ( 0.597 -5.952 -4.570) 7.527 1.853 ( 3.827 2.118 -0.421) 4.394 1.878 ( 1.958 2.766 -4.208) 5.403 1.903 ( 4.153 -1.455 -4.354) 6.191 1.931 ( 1.426 -0.498 -1.470) 2.108 1.977 ( 4.989 -0.031 -3.841) 6.296 1.994 ( 3.908 -0.739 -1.116) 4.131 2.020 ( 0.481 0.666 -3.920) 4.005 2.034 ( -1.740 0.286 -0.771) 1.925 2.060 ( 7.846 4.479 0.663) 9.059 2.095 ( 0.839 1.753 -3.057) 3.622 2.127 ( 1.097 2.481 -0.388) 2.740 2.163 ( 1.671 -0.743 0.509) 1.899 2.181 ( 2.379 -0.062 2.644) 3.557 2.223 ( 5.476 -3.948 -0.731) 6.790 2.239 ( 0.375 -0.078 1.536) 1.583 2.282 ( -2.200 -3.746 3.014) 5.288 2.339 ( 2.396 1.081 1.223) 2.899 2.356 ( 1.078 -0.969 1.888) 2.381 2.389 ( 1.008 0.505 1.715) 2.052 2.398 ( -1.837 0.564 3.930) 4.374 2.478 ( -5.372 2.386 8.888) 10.656 2.558 ( -6.147 -4.714 7.855) 11.033 2.603 ( -1.817 2.287 2.089) 3.591 2.634 ( -2.694 0.689 3.702) 4.630 2.647 ( -1.830 -1.716 2.012) 3.216 2.668 ( -2.045 -2.243 3.079) 4.324 2.728 ( -0.455 1.666 2.212) 2.806 2.756 ( -2.388 -1.026 3.322) 4.218 2.791 ( -0.457 1.720 0.902) 1.995 2.824 ( -0.402 -0.881 0.301) 1.015 2.979 ( -1.096 4.811 1.243) 5.088 2.988 ( -1.248 -0.071 1.418) 1.890 3.012 ( -1.354 2.517 -0.936) 3.008 3.082 ( -0.983 1.495 -0.527) 1.865 3.089 ( 0.440 -3.295 -8.717) 9.330 3.141 ( 1.665 -2.222 -1.443) 3.129 3.201 ( 0.379 1.534 -3.081) 3.463 3.237 ( 1.601 -1.732 -1.735) 2.928 3.365 ( -0.321 3.883 1.318) 4.113 3.433 ( -1.918 -2.252 0.544) 3.008 3.465 ( 1.592 3.214 0.401) 3.610 3.538 ( -0.352 -1.524 -0.050) 1.565 3.592 ( -2.632 -1.149 0.243) 2.882 3.615 ( -2.881 -2.056 -0.411) 3.563 4.567 ( 1.651 3.052 -0.689) 3.538 4.599 ( 2.577 0.803 -0.752) 2.802 4.653 ( 1.270 -2.046 -0.318) 2.429 4.663 ( 1.113 -2.071 -0.161) 2.357 4.895 ( -1.101 0.370 1.605) 1.981 4.904 ( -1.400 -0.667 -0.485) 1.625 5.018 ( 1.593 1.917 -1.169) 2.753 5.039 ( 2.343 -0.437 -1.264) 2.698 5.180 ( 0.011 1.157 -0.851) 1.436 5.202 ( 0.359 -1.321 -0.135) 1.375 5.265 ( 0.699 2.030 0.264) 2.163 5.271 ( 0.529 0.667 2.762) 2.891 5.333 ( 0.245 -1.402 0.192) 1.436 5.356 ( 0.515 -2.953 -0.474) 3.035 5.423 ( 3.050 0.107 -0.382) 3.076 5.425 ( 2.692 -0.130 1.546) 3.107 5.465 ( 0.075 0.858 0.820) 1.189 5.479 ( -0.089 -0.400 -0.073) 0.416 5.560 ( 0.526 1.617 -0.292) 1.726 5.592 ( 1.038 -1.648 0.420) 1.993 5.812 ( -0.360 2.014 -0.675) 2.155 5.838 ( -0.135 -0.697 -0.931) 1.171 5.965 ( 2.641 2.134 -2.463) 4.195 5.995 ( 2.957 -1.027 -2.079) 3.758 6.189 ( -4.728 0.931 -0.549) 4.850 6.212 ( -3.961 -1.403 -1.906) 4.615 6.342 ( -2.689 1.085 -1.571) 3.298 6.371 ( -2.156 -1.880 -2.251) 3.640 7.527 ( 0.223 0.232 0.028) 0.323 7.532 ( 0.423 -0.303 -0.146) 0.541 7.546 ( 0.975 0.793 -1.866) 2.250 7.559 ( 1.351 -0.647 -2.436) 2.859 7.980 ( -0.458 0.062 -1.500) 1.569 7.984 ( -0.644 -0.317 -1.490) 1.654 8.028 ( 0.616 0.408 0.779) 1.074 8.031 ( 1.012 0.020 -0.166) 1.025 8.237 ( 1.293 0.420 -0.893) 1.627 8.250 ( 1.740 -1.079 -0.427) 2.092 8.300 ( 3.994 1.513 0.918) 4.369 8.323 ( 4.919 -1.031 1.482) 5.240 8.581 ( -3.135 0.524 3.818) 4.968 8.591 ( -3.433 -0.456 0.876) 3.573 8.605 ( -3.222 0.250 -1.100) 3.413 8.613 ( -4.033 -0.489 -3.360) 5.272 8.906 ( 1.680 1.299 2.689) 3.426 8.933 ( 2.826 -1.545 2.654) 4.173 9.019 ( 1.487 0.304 1.773) 2.334 9.026 ( 2.519 -0.443 2.246) 3.404 9.170 ( 1.151 0.147 0.617) 1.314 9.171 ( 1.280 0.060 -0.040) 1.282 9.450 ( 4.469 0.164 3.623) 5.755 9.451 ( 4.192 0.054 5.376) 6.818 ======================= Grid point 76 (50/50) ======================= q-point: (-0.14 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( 0.501 -3.369 18.245) 18.561 1.128 ( -3.559 -7.226 10.545) 13.269 1.407 ( 1.687 8.585 13.213) 15.847 1.468 ( -0.055 4.053 0.382) 4.071 1.557 ( -1.419 2.523 -7.120) 7.686 1.580 ( -3.263 -0.168 2.966) 4.413 1.669 ( -0.643 0.870 0.005) 1.082 1.689 ( -1.379 -1.475 -5.634) 5.985 1.738 ( 3.502 -2.355 -1.144) 4.372 1.753 ( 5.210 0.202 -0.042) 5.214 1.796 ( -2.847 3.665 -5.578) 7.256 1.828 ( 7.153 -2.077 -0.232) 7.452 1.865 ( 0.860 -2.198 -0.011) 2.360 1.894 ( -1.537 -4.748 -3.539) 6.118 1.930 ( 0.203 1.285 0.006) 1.301 1.953 ( 4.978 -1.188 -4.546) 6.845 1.972 ( 5.187 1.595 -2.541) 5.993 2.012 ( 5.825 -1.666 -2.619) 6.601 2.021 ( -1.180 4.704 1.387) 5.044 2.075 ( 0.297 -0.870 1.067) 1.408 2.099 ( 1.723 1.536 0.435) 2.349 2.158 ( 1.833 -0.341 -0.310) 1.890 2.165 ( 0.654 1.145 1.389) 1.915 2.203 ( 1.726 0.028 3.776) 4.152 2.230 ( 0.179 0.887 4.382) 4.474 2.279 ( 1.637 -2.953 2.967) 4.495 2.319 ( 6.306 0.098 0.102) 6.307 2.346 ( 2.607 -1.339 1.545) 3.313 2.354 ( 1.059 1.444 -0.872) 1.991 2.381 ( 2.220 -0.484 0.038) 2.272 2.394 ( 0.452 1.767 0.671) 1.943 2.447 ( 3.436 -2.045 -0.248) 4.006 2.476 ( -2.926 -0.235 8.923) 9.394 2.509 ( -5.616 -5.135 9.197) 11.937 2.598 ( -1.214 0.396 0.809) 1.512 2.610 ( -1.762 -0.131 2.771) 3.286 2.644 ( -0.360 1.432 5.054) 5.265 2.676 ( -0.267 -0.847 4.649) 4.733 2.725 ( -2.642 0.833 1.509) 3.155 2.738 ( -2.622 -0.653 2.133) 3.442 2.793 ( -0.501 0.319 1.282) 1.413 2.810 ( -1.748 -1.004 1.003) 2.252 2.910 ( -3.107 6.329 -2.683) 7.544 2.997 ( -1.246 -3.833 -9.204) 10.048 3.008 ( 1.475 1.014 3.029) 3.518 3.039 ( 1.416 -2.294 0.636) 2.770 3.083 ( 2.946 4.256 -4.169) 6.646 3.151 ( 1.288 -2.853 -4.287) 5.308 3.191 ( 0.933 3.437 -1.364) 3.814 3.244 ( 0.669 -2.254 -2.351) 3.325 3.378 ( 0.422 2.598 2.659) 3.741 3.413 ( -0.688 -0.452 0.743) 1.109 3.477 ( -0.084 1.213 -1.723) 2.109 3.518 ( -1.799 -1.879 0.241) 2.613 3.542 ( -1.483 0.380 -2.238) 2.711 3.566 ( -2.067 -1.588 0.033) 2.607 4.593 ( 1.337 3.208 -0.524) 3.514 4.634 ( 2.058 0.209 -1.333) 2.461 4.663 ( -0.289 -1.512 -1.364) 2.057 4.676 ( 1.238 -2.515 -0.355) 2.825 4.892 ( -0.019 0.400 0.406) 0.570 4.901 ( -0.188 -0.450 1.714) 1.782 5.029 ( 0.822 1.944 -1.464) 2.568 5.057 ( 0.968 -1.013 -1.945) 2.397 5.191 ( 1.504 1.253 0.383) 1.995 5.217 ( 1.188 -1.609 0.578) 2.082 5.286 ( 1.348 2.115 0.533) 2.564 5.298 ( 0.249 0.480 2.360) 2.421 5.344 ( 0.687 -1.190 -0.112) 1.379 5.364 ( 0.909 -2.465 -0.470) 2.670 5.454 ( -0.252 1.235 -0.738) 1.460 5.464 ( -1.132 0.226 0.864) 1.441 5.499 ( 3.721 -0.141 1.689) 4.089 5.504 ( 3.146 -0.620 0.238) 3.215 5.564 ( -0.072 2.226 0.117) 2.230 5.603 ( -0.434 -2.088 0.728) 2.253 5.818 ( 1.945 1.496 -1.229) 2.744 5.842 ( 1.467 -1.003 -1.382) 2.251 6.002 ( 3.583 2.470 -2.089) 4.827 6.034 ( 2.093 -0.778 -0.912) 2.412 6.095 ( -3.761 -0.090 -1.022) 3.898 6.108 ( -5.273 -1.392 -2.475) 5.989 6.245 ( -5.926 1.410 -2.483) 6.578 6.272 ( -6.011 -1.490 -2.908) 6.842 7.533 ( 0.230 0.278 0.246) 0.437 7.538 ( 0.242 -0.203 -0.226) 0.389 7.547 ( 0.534 0.733 -1.486) 1.741 7.561 ( 0.731 -0.789 -2.104) 2.363 7.963 ( 0.237 0.084 -1.542) 1.562 7.968 ( 0.099 -0.480 -1.179) 1.277 8.020 ( -1.508 0.884 -0.005) 1.748 8.032 ( -1.263 -0.422 0.082) 1.334 8.270 ( 3.334 0.811 -0.236) 3.439 8.287 ( 3.614 -1.062 -0.449) 3.793 8.397 ( 2.292 1.357 1.955) 3.304 8.420 ( 2.534 -1.076 0.555) 2.808 8.501 ( -0.958 0.700 -1.196) 1.685 8.516 ( -2.268 -0.919 -1.399) 2.819 8.561 ( -3.108 1.157 3.283) 4.666 8.582 ( -2.811 -1.050 2.894) 4.169 8.968 ( 2.295 1.328 2.873) 3.909 8.996 ( 1.957 -1.794 2.065) 3.363 9.058 ( 1.217 1.476 0.975) 2.147 9.083 ( 1.877 -1.349 -0.040) 2.312 9.204 ( 2.123 0.160 0.660) 2.229 9.207 ( 1.746 -0.071 1.248) 2.147 9.578 ( 4.383 0.192 5.355) 6.923 9.580 ( 5.724 -0.067 3.881) 6.916 =================== 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 3/15876 10.0 369.004 388.035 375.088 0.000 -51.592 0.000 3/15876 20.0 70.348 62.801 82.684 0.000 -1.567 0.000 3/15876 30.0 30.185 25.984 35.909 0.000 -0.384 0.000 3/15876 40.0 18.192 15.418 21.645 0.000 -0.245 0.000 3/15876 50.0 12.771 10.742 15.178 0.000 -0.193 0.000 3/15876 60.0 9.756 8.173 11.582 0.000 -0.160 0.000 3/15876 70.0 7.867 6.573 9.332 0.000 -0.134 0.000 3/15876 80.0 6.587 5.491 7.808 0.000 -0.114 0.000 3/15876 90.0 5.668 4.715 6.715 0.000 -0.098 0.000 3/15876 100.0 4.978 4.133 5.896 0.000 -0.085 0.000 3/15876 110.0 4.442 3.682 5.260 0.000 -0.074 0.000 3/15876 120.0 4.014 3.321 4.752 0.000 -0.065 0.000 3/15876 130.0 3.663 3.027 4.336 0.000 -0.058 0.000 3/15876 140.0 3.371 2.781 3.990 0.000 -0.052 0.000 3/15876 150.0 3.123 2.574 3.697 0.000 -0.046 0.000 3/15876 160.0 2.911 2.396 3.446 0.000 -0.042 0.000 3/15876 170.0 2.727 2.242 3.228 0.000 -0.038 0.000 3/15876 180.0 2.565 2.107 3.036 0.000 -0.035 0.000 3/15876 190.0 2.422 1.988 2.867 0.000 -0.032 0.000 3/15876 200.0 2.294 1.882 2.716 0.000 -0.030 0.000 3/15876 210.0 2.179 1.787 2.581 0.000 -0.028 0.000 3/15876 220.0 2.076 1.701 2.458 0.000 -0.026 0.000 3/15876 230.0 1.982 1.623 2.347 0.000 -0.024 0.000 3/15876 240.0 1.897 1.552 2.246 0.000 -0.023 0.000 3/15876 250.0 1.819 1.488 2.154 0.000 -0.022 0.000 3/15876 260.0 1.747 1.428 2.068 0.000 -0.020 0.000 3/15876 270.0 1.680 1.373 1.990 0.000 -0.019 0.000 3/15876 280.0 1.619 1.323 1.917 0.000 -0.018 0.000 3/15876 290.0 1.562 1.276 1.850 0.000 -0.018 0.000 3/15876 300.0 1.508 1.232 1.787 0.000 -0.017 0.000 3/15876 310.0 1.459 1.191 1.728 0.000 -0.016 0.000 3/15876 320.0 1.413 1.153 1.673 0.000 -0.015 0.000 3/15876 330.0 1.369 1.117 1.622 0.000 -0.015 0.000 3/15876 340.0 1.328 1.084 1.573 0.000 -0.014 0.000 3/15876 350.0 1.290 1.052 1.528 0.000 -0.014 0.000 3/15876 360.0 1.253 1.022 1.485 0.000 -0.013 0.000 3/15876 370.0 1.219 0.994 1.444 0.000 -0.013 0.000 3/15876 380.0 1.187 0.967 1.406 0.000 -0.012 0.000 3/15876 390.0 1.156 0.942 1.370 0.000 -0.012 0.000 3/15876 400.0 1.127 0.918 1.335 0.000 -0.012 0.000 3/15876 410.0 1.099 0.896 1.302 0.000 -0.011 0.000 3/15876 420.0 1.073 0.874 1.271 0.000 -0.011 0.000 3/15876 430.0 1.047 0.853 1.241 0.000 -0.011 0.000 3/15876 440.0 1.023 0.834 1.213 0.000 -0.010 0.000 3/15876 450.0 1.001 0.815 1.186 0.000 -0.010 0.000 3/15876 460.0 0.979 0.797 1.160 0.000 -0.010 0.000 3/15876 470.0 0.958 0.780 1.135 0.000 -0.010 0.000 3/15876 480.0 0.938 0.764 1.111 0.000 -0.009 0.000 3/15876 490.0 0.918 0.748 1.088 0.000 -0.009 0.000 3/15876 500.0 0.900 0.733 1.066 0.000 -0.009 0.000 3/15876 510.0 0.882 0.718 1.045 0.000 -0.009 0.000 3/15876 520.0 0.865 0.704 1.025 0.000 -0.008 0.000 3/15876 530.0 0.849 0.691 1.006 0.000 -0.008 0.000 3/15876 540.0 0.833 0.678 0.987 0.000 -0.008 0.000 3/15876 550.0 0.818 0.666 0.969 0.000 -0.008 0.000 3/15876 560.0 0.803 0.654 0.952 0.000 -0.008 0.000 3/15876 570.0 0.789 0.642 0.935 0.000 -0.008 0.000 3/15876 580.0 0.775 0.631 0.919 0.000 -0.007 0.000 3/15876 590.0 0.762 0.620 0.903 0.000 -0.007 0.000 3/15876 600.0 0.749 0.610 0.888 0.000 -0.007 0.000 3/15876 610.0 0.737 0.600 0.874 0.000 -0.007 0.000 3/15876 620.0 0.725 0.590 0.859 0.000 -0.007 0.000 3/15876 630.0 0.714 0.581 0.846 0.000 -0.007 0.000 3/15876 640.0 0.702 0.571 0.832 0.000 -0.007 0.000 3/15876 650.0 0.692 0.563 0.820 0.000 -0.007 0.000 3/15876 660.0 0.681 0.554 0.807 0.000 -0.006 0.000 3/15876 670.0 0.671 0.546 0.795 0.000 -0.006 0.000 3/15876 680.0 0.661 0.538 0.783 0.000 -0.006 0.000 3/15876 690.0 0.651 0.530 0.772 0.000 -0.006 0.000 3/15876 700.0 0.642 0.522 0.761 0.000 -0.006 0.000 3/15876 710.0 0.633 0.515 0.750 0.000 -0.006 0.000 3/15876 720.0 0.624 0.508 0.740 0.000 -0.006 0.000 3/15876 730.0 0.616 0.501 0.730 0.000 -0.006 0.000 3/15876 740.0 0.607 0.494 0.720 0.000 -0.006 0.000 3/15876 750.0 0.599 0.487 0.710 0.000 -0.006 0.000 3/15876 760.0 0.591 0.481 0.701 0.000 -0.006 0.000 3/15876 770.0 0.584 0.475 0.692 0.000 -0.005 0.000 3/15876 780.0 0.576 0.469 0.683 0.000 -0.005 0.000 3/15876 790.0 0.569 0.463 0.674 0.000 -0.005 0.000 3/15876 800.0 0.562 0.457 0.666 0.000 -0.005 0.000 3/15876 810.0 0.555 0.451 0.658 0.000 -0.005 0.000 3/15876 820.0 0.548 0.446 0.650 0.000 -0.005 0.000 3/15876 830.0 0.541 0.440 0.642 0.000 -0.005 0.000 3/15876 840.0 0.535 0.435 0.634 0.000 -0.005 0.000 3/15876 850.0 0.529 0.430 0.627 0.000 -0.005 0.000 3/15876 860.0 0.523 0.425 0.619 0.000 -0.005 0.000 3/15876 870.0 0.516 0.420 0.612 0.000 -0.005 0.000 3/15876 880.0 0.511 0.415 0.605 0.000 -0.005 0.000 3/15876 890.0 0.505 0.411 0.598 0.000 -0.005 0.000 3/15876 900.0 0.499 0.406 0.592 0.000 -0.005 0.000 3/15876 910.0 0.494 0.401 0.585 0.000 -0.005 0.000 3/15876 920.0 0.488 0.397 0.579 0.000 -0.005 0.000 3/15876 930.0 0.483 0.393 0.573 0.000 -0.004 0.000 3/15876 940.0 0.478 0.389 0.567 0.000 -0.004 0.000 3/15876 950.0 0.473 0.385 0.561 0.000 -0.004 0.000 3/15876 960.0 0.468 0.381 0.555 0.000 -0.004 0.000 3/15876 970.0 0.463 0.377 0.549 0.000 -0.004 0.000 3/15876 980.0 0.459 0.373 0.543 0.000 -0.004 0.000 3/15876 990.0 0.454 0.369 0.538 0.000 -0.004 0.000 3/15876 1000.0 0.449 0.365 0.533 0.000 -0.004 0.000 3/15876 Thermal conductivity related properties were written into "kappa-m737.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 20:22:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|