----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 04:27:19]------------------------- 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 7.400580860232798 0.000000000000000 0.000000000000000 b 0.000000000000000 17.964354000000000 0.000000000000000 c -2.692138300674360 0.000000000000000 6.698419506681678 Atomic positions (fractional): *1 P 0.49156392754999 0.56808376415825 0.73887394140328 30.974 2 P 0.50843607245001 0.06808376415825 0.76112605859672 30.974 3 P 0.50843607245001 0.43191623584175 0.26112605859672 30.974 4 P 0.49156392754999 0.93191623584175 0.23887394140328 30.974 *5 P 0.00895070867894 0.55949256072631 0.25612694441429 30.974 6 P 0.99104929132107 0.05949256072631 0.24387305558571 30.974 7 P 0.99104929132107 0.44050743927369 0.74387305558571 30.974 8 P 0.00895070867894 0.94050743927369 0.75612694441429 30.974 *9 P 0.04466584205098 0.81494132494334 0.21811899776166 30.974 10 P 0.95533415794902 0.31494132494334 0.28188100223834 30.974 11 P 0.95533415794902 0.18505867505666 0.78188100223834 30.974 12 P 0.04466584205098 0.68505867505666 0.71811899776166 30.974 *13 P 0.50229518605098 0.20017155227833 0.28195121912304 30.974 14 P 0.50229518605098 0.29982844772167 0.78195121912304 30.974 15 P 0.49770481394902 0.79982844772167 0.71804878087696 30.974 16 P 0.49770481394902 0.70017155227833 0.21804878087696 30.974 *17 Ge 0.78881537756070 0.37314460157450 0.47341188273115 72.640 18 Ge 0.21118462243930 0.87314460157450 0.02658811726884 72.640 19 Ge 0.21118462243930 0.62685539842550 0.52658811726885 72.640 20 Ge 0.78881537756070 0.12685539842550 0.97341188273115 72.640 *21 Ge 0.68633176575454 0.25858874893564 0.59192963289916 72.640 22 Ge 0.68633176575454 0.24141125106436 0.09192963289916 72.640 23 Ge 0.31366823424546 0.74141125106436 0.40807036710084 72.640 24 Ge 0.31366823424546 0.75858874893564 0.90807036710084 72.640 *25 Sr 0.78340843987885 0.68429828272546 0.98926939608123 87.620 26 Sr 0.21659156012115 0.18429828272546 0.51073060391877 87.620 27 Sr 0.21659156012115 0.31570171727454 0.01073060391876 87.620 28 Sr 0.78340843987885 0.81570171727454 0.48926939608123 87.620 *29 Sr 0.26072768646394 0.55850656691881 0.00473129582467 87.620 30 Sr 0.73927231353606 0.05850656691881 0.49526870417533 87.620 31 Sr 0.73927231353606 0.44149343308119 0.99526870417533 87.620 32 Sr 0.26072768646394 0.94149343308119 0.50473129582467 87.620 *33 Sr 0.74333430027991 0.56434690376531 0.48813583677076 87.620 34 Sr 0.25666569972009 0.06434690376531 0.01186416322925 87.620 35 Sr 0.25666569972009 0.43565309623469 0.51186416322924 87.620 36 Sr 0.74333430027991 0.93565309623469 0.98813583677076 87.620 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.400580860232798 0.000000000000000 0.000000000000000 b 0.000000000000000 17.964354000000000 0.000000000000000 c -2.692138300674360 0.000000000000000 6.698419506681678 Atomic positions (fractional): *1 P 0.49156392754999 0.56808376415825 0.73887394140328 30.974 > 1 2 P 0.50843607245001 0.06808376415825 0.76112605859672 30.974 > 2 3 P 0.50843607245001 0.43191623584175 0.26112605859672 30.974 > 3 4 P 0.49156392754999 0.93191623584175 0.23887394140328 30.974 > 4 *5 P 0.00895070867894 0.55949256072631 0.25612694441429 30.974 > 5 6 P 0.99104929132107 0.05949256072631 0.24387305558571 30.974 > 6 7 P 0.99104929132107 0.44050743927369 0.74387305558571 30.974 > 7 8 P 0.00895070867894 0.94050743927369 0.75612694441429 30.974 > 8 *9 P 0.04466584205098 0.81494132494334 0.21811899776166 30.974 > 9 10 P 0.95533415794902 0.31494132494334 0.28188100223834 30.974 > 10 11 P 0.95533415794902 0.18505867505666 0.78188100223834 30.974 > 11 12 P 0.04466584205098 0.68505867505666 0.71811899776166 30.974 > 12 *13 P 0.50229518605098 0.20017155227833 0.28195121912304 30.974 > 13 14 P 0.50229518605098 0.29982844772167 0.78195121912304 30.974 > 14 15 P 0.49770481394902 0.79982844772167 0.71804878087696 30.974 > 15 16 P 0.49770481394902 0.70017155227833 0.21804878087696 30.974 > 16 *17 Ge 0.78881537756070 0.37314460157450 0.47341188273115 72.640 > 17 18 Ge 0.21118462243930 0.87314460157450 0.02658811726884 72.640 > 18 19 Ge 0.21118462243930 0.62685539842550 0.52658811726885 72.640 > 19 20 Ge 0.78881537756070 0.12685539842550 0.97341188273115 72.640 > 20 *21 Ge 0.68633176575454 0.25858874893564 0.59192963289916 72.640 > 21 22 Ge 0.68633176575454 0.24141125106436 0.09192963289916 72.640 > 22 23 Ge 0.31366823424546 0.74141125106436 0.40807036710084 72.640 > 23 24 Ge 0.31366823424546 0.75858874893564 0.90807036710084 72.640 > 24 *25 Sr 0.78340843987885 0.68429828272546 0.98926939608123 87.620 > 25 26 Sr 0.21659156012115 0.18429828272546 0.51073060391877 87.620 > 26 27 Sr 0.21659156012115 0.31570171727454 0.01073060391876 87.620 > 27 28 Sr 0.78340843987885 0.81570171727454 0.48926939608123 87.620 > 28 *29 Sr 0.26072768646394 0.55850656691881 0.00473129582467 87.620 > 29 30 Sr 0.73927231353606 0.05850656691881 0.49526870417533 87.620 > 30 31 Sr 0.73927231353606 0.44149343308119 0.99526870417533 87.620 > 31 32 Sr 0.26072768646394 0.94149343308119 0.50473129582467 87.620 > 32 *33 Sr 0.74333430027991 0.56434690376531 0.48813583677076 87.620 > 33 34 Sr 0.25666569972009 0.06434690376531 0.01186416322925 87.620 > 34 35 Sr 0.25666569972009 0.43565309623469 0.51186416322924 87.620 > 35 36 Sr 0.74333430027991 0.93565309623469 0.98813583677076 87.620 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.801161720465595 0.000000000000000 0.000000000000000 b 0.000000000000000 17.964354000000000 0.000000000000000 c -5.384276601348720 0.000000000000000 13.396839013363357 Atomic positions (fractional): *1 P 0.24578196377500 0.56808376415825 0.36943697070164 30.974 > 1 2 P 0.74578196377500 0.56808376415825 0.36943697070164 30.974 > 1 3 P 0.24578196377500 0.56808376415825 0.86943697070164 30.974 > 1 4 P 0.74578196377500 0.56808376415825 0.86943697070164 30.974 > 1 5 P 0.25421803622500 0.06808376415825 0.38056302929836 30.974 > 2 6 P 0.75421803622500 0.06808376415825 0.38056302929836 30.974 > 2 7 P 0.25421803622500 0.06808376415825 0.88056302929836 30.974 > 2 8 P 0.75421803622500 0.06808376415825 0.88056302929836 30.974 > 2 9 P 0.25421803622500 0.43191623584175 0.13056302929836 30.974 > 3 10 P 0.75421803622500 0.43191623584175 0.13056302929836 30.974 > 3 11 P 0.25421803622500 0.43191623584175 0.63056302929836 30.974 > 3 12 P 0.75421803622500 0.43191623584175 0.63056302929836 30.974 > 3 13 P 0.24578196377500 0.93191623584175 0.11943697070164 30.974 > 4 14 P 0.74578196377500 0.93191623584175 0.11943697070164 30.974 > 4 15 P 0.24578196377500 0.93191623584175 0.61943697070164 30.974 > 4 16 P 0.74578196377500 0.93191623584175 0.61943697070164 30.974 > 4 *17 P 0.00447535433947 0.55949256072631 0.12806347220714 30.974 > 5 18 P 0.50447535433947 0.55949256072631 0.12806347220714 30.974 > 5 19 P 0.00447535433947 0.55949256072631 0.62806347220714 30.974 > 5 20 P 0.50447535433947 0.55949256072631 0.62806347220714 30.974 > 5 21 P 0.49552464566053 0.05949256072631 0.12193652779286 30.974 > 6 22 P 0.99552464566053 0.05949256072631 0.12193652779286 30.974 > 6 23 P 0.49552464566053 0.05949256072631 0.62193652779286 30.974 > 6 24 P 0.99552464566053 0.05949256072631 0.62193652779286 30.974 > 6 25 P 0.49552464566053 0.44050743927369 0.37193652779286 30.974 > 7 26 P 0.99552464566053 0.44050743927369 0.37193652779286 30.974 > 7 27 P 0.49552464566053 0.44050743927369 0.87193652779286 30.974 > 7 28 P 0.99552464566053 0.44050743927369 0.87193652779286 30.974 > 7 29 P 0.00447535433947 0.94050743927369 0.37806347220714 30.974 > 8 30 P 0.50447535433947 0.94050743927369 0.37806347220714 30.974 > 8 31 P 0.00447535433947 0.94050743927369 0.87806347220714 30.974 > 8 32 P 0.50447535433947 0.94050743927369 0.87806347220714 30.974 > 8 *33 P 0.02233292102549 0.81494132494334 0.10905949888083 30.974 > 9 34 P 0.52233292102549 0.81494132494334 0.10905949888083 30.974 > 9 35 P 0.02233292102549 0.81494132494334 0.60905949888083 30.974 > 9 36 P 0.52233292102549 0.81494132494334 0.60905949888083 30.974 > 9 37 P 0.47766707897451 0.31494132494334 0.14094050111917 30.974 > 10 38 P 0.97766707897451 0.31494132494334 0.14094050111917 30.974 > 10 39 P 0.47766707897451 0.31494132494334 0.64094050111917 30.974 > 10 40 P 0.97766707897451 0.31494132494334 0.64094050111917 30.974 > 10 41 P 0.47766707897451 0.18505867505666 0.39094050111917 30.974 > 11 42 P 0.97766707897451 0.18505867505666 0.39094050111917 30.974 > 11 43 P 0.47766707897451 0.18505867505666 0.89094050111917 30.974 > 11 44 P 0.97766707897451 0.18505867505666 0.89094050111917 30.974 > 11 45 P 0.02233292102549 0.68505867505666 0.35905949888083 30.974 > 12 46 P 0.52233292102549 0.68505867505666 0.35905949888083 30.974 > 12 47 P 0.02233292102549 0.68505867505666 0.85905949888083 30.974 > 12 48 P 0.52233292102549 0.68505867505666 0.85905949888083 30.974 > 12 *49 P 0.25114759302549 0.20017155227833 0.14097560956152 30.974 > 13 50 P 0.75114759302549 0.20017155227833 0.14097560956152 30.974 > 13 51 P 0.25114759302549 0.20017155227833 0.64097560956152 30.974 > 13 52 P 0.75114759302549 0.20017155227833 0.64097560956152 30.974 > 13 53 P 0.25114759302549 0.29982844772167 0.39097560956152 30.974 > 14 54 P 0.75114759302549 0.29982844772167 0.39097560956152 30.974 > 14 55 P 0.25114759302549 0.29982844772167 0.89097560956152 30.974 > 14 56 P 0.75114759302549 0.29982844772167 0.89097560956152 30.974 > 14 57 P 0.24885240697451 0.79982844772167 0.35902439043848 30.974 > 15 58 P 0.74885240697451 0.79982844772167 0.35902439043848 30.974 > 15 59 P 0.24885240697451 0.79982844772167 0.85902439043848 30.974 > 15 60 P 0.74885240697451 0.79982844772167 0.85902439043848 30.974 > 15 61 P 0.24885240697451 0.70017155227833 0.10902439043848 30.974 > 16 62 P 0.74885240697451 0.70017155227833 0.10902439043848 30.974 > 16 63 P 0.24885240697451 0.70017155227833 0.60902439043848 30.974 > 16 64 P 0.74885240697451 0.70017155227833 0.60902439043848 30.974 > 16 *65 Ge 0.39440768878035 0.37314460157450 0.23670594136558 72.640 > 17 66 Ge 0.89440768878035 0.37314460157450 0.23670594136558 72.640 > 17 67 Ge 0.39440768878035 0.37314460157450 0.73670594136558 72.640 > 17 68 Ge 0.89440768878035 0.37314460157450 0.73670594136558 72.640 > 17 69 Ge 0.10559231121965 0.87314460157450 0.01329405863442 72.640 > 18 70 Ge 0.60559231121965 0.87314460157450 0.01329405863442 72.640 > 18 71 Ge 0.10559231121965 0.87314460157450 0.51329405863442 72.640 > 18 72 Ge 0.60559231121965 0.87314460157450 0.51329405863442 72.640 > 18 73 Ge 0.10559231121965 0.62685539842550 0.26329405863442 72.640 > 19 74 Ge 0.60559231121965 0.62685539842550 0.26329405863442 72.640 > 19 75 Ge 0.10559231121965 0.62685539842550 0.76329405863442 72.640 > 19 76 Ge 0.60559231121965 0.62685539842550 0.76329405863442 72.640 > 19 77 Ge 0.39440768878035 0.12685539842550 0.48670594136558 72.640 > 20 78 Ge 0.89440768878035 0.12685539842550 0.48670594136558 72.640 > 20 79 Ge 0.39440768878035 0.12685539842550 0.98670594136558 72.640 > 20 80 Ge 0.89440768878035 0.12685539842550 0.98670594136558 72.640 > 20 *81 Ge 0.34316588287727 0.25858874893564 0.29596481644958 72.640 > 21 82 Ge 0.84316588287727 0.25858874893564 0.29596481644958 72.640 > 21 83 Ge 0.34316588287727 0.25858874893564 0.79596481644958 72.640 > 21 84 Ge 0.84316588287727 0.25858874893564 0.79596481644958 72.640 > 21 85 Ge 0.34316588287727 0.24141125106436 0.04596481644958 72.640 > 22 86 Ge 0.84316588287727 0.24141125106436 0.04596481644958 72.640 > 22 87 Ge 0.34316588287727 0.24141125106436 0.54596481644958 72.640 > 22 88 Ge 0.84316588287727 0.24141125106436 0.54596481644958 72.640 > 22 89 Ge 0.15683411712273 0.74141125106436 0.20403518355042 72.640 > 23 90 Ge 0.65683411712273 0.74141125106436 0.20403518355042 72.640 > 23 91 Ge 0.15683411712273 0.74141125106436 0.70403518355042 72.640 > 23 92 Ge 0.65683411712273 0.74141125106436 0.70403518355042 72.640 > 23 93 Ge 0.15683411712273 0.75858874893564 0.45403518355042 72.640 > 24 94 Ge 0.65683411712273 0.75858874893564 0.45403518355042 72.640 > 24 95 Ge 0.15683411712273 0.75858874893564 0.95403518355042 72.640 > 24 96 Ge 0.65683411712273 0.75858874893564 0.95403518355042 72.640 > 24 *97 Sr 0.39170421993942 0.68429828272546 0.49463469804062 87.620 > 25 98 Sr 0.89170421993942 0.68429828272546 0.49463469804062 87.620 > 25 99 Sr 0.39170421993942 0.68429828272546 0.99463469804062 87.620 > 25 100 Sr 0.89170421993942 0.68429828272546 0.99463469804062 87.620 > 25 101 Sr 0.10829578006058 0.18429828272546 0.25536530195938 87.620 > 26 102 Sr 0.60829578006058 0.18429828272546 0.25536530195938 87.620 > 26 103 Sr 0.10829578006058 0.18429828272546 0.75536530195938 87.620 > 26 104 Sr 0.60829578006058 0.18429828272546 0.75536530195938 87.620 > 26 105 Sr 0.10829578006058 0.31570171727454 0.00536530195938 87.620 > 27 106 Sr 0.60829578006058 0.31570171727454 0.00536530195938 87.620 > 27 107 Sr 0.10829578006058 0.31570171727454 0.50536530195938 87.620 > 27 108 Sr 0.60829578006058 0.31570171727454 0.50536530195938 87.620 > 27 109 Sr 0.39170421993942 0.81570171727454 0.24463469804062 87.620 > 28 110 Sr 0.89170421993942 0.81570171727454 0.24463469804062 87.620 > 28 111 Sr 0.39170421993942 0.81570171727454 0.74463469804062 87.620 > 28 112 Sr 0.89170421993942 0.81570171727454 0.74463469804062 87.620 > 28 *113 Sr 0.13036384323197 0.55850656691881 0.00236564791233 87.620 > 29 114 Sr 0.63036384323197 0.55850656691881 0.00236564791233 87.620 > 29 115 Sr 0.13036384323197 0.55850656691881 0.50236564791233 87.620 > 29 116 Sr 0.63036384323197 0.55850656691881 0.50236564791233 87.620 > 29 117 Sr 0.36963615676803 0.05850656691881 0.24763435208767 87.620 > 30 118 Sr 0.86963615676803 0.05850656691881 0.24763435208767 87.620 > 30 119 Sr 0.36963615676803 0.05850656691881 0.74763435208767 87.620 > 30 120 Sr 0.86963615676803 0.05850656691881 0.74763435208767 87.620 > 30 121 Sr 0.36963615676803 0.44149343308119 0.49763435208767 87.620 > 31 122 Sr 0.86963615676803 0.44149343308119 0.49763435208767 87.620 > 31 123 Sr 0.36963615676803 0.44149343308119 0.99763435208767 87.620 > 31 124 Sr 0.86963615676803 0.44149343308119 0.99763435208767 87.620 > 31 125 Sr 0.13036384323197 0.94149343308119 0.25236564791233 87.620 > 32 126 Sr 0.63036384323197 0.94149343308119 0.25236564791233 87.620 > 32 127 Sr 0.13036384323197 0.94149343308119 0.75236564791233 87.620 > 32 128 Sr 0.63036384323197 0.94149343308119 0.75236564791233 87.620 > 32 *129 Sr 0.37166715013995 0.56434690376531 0.24406791838538 87.620 > 33 130 Sr 0.87166715013995 0.56434690376531 0.24406791838538 87.620 > 33 131 Sr 0.37166715013995 0.56434690376531 0.74406791838538 87.620 > 33 132 Sr 0.87166715013995 0.56434690376531 0.74406791838538 87.620 > 33 133 Sr 0.12833284986005 0.06434690376531 0.00593208161462 87.620 > 34 134 Sr 0.62833284986005 0.06434690376531 0.00593208161462 87.620 > 34 135 Sr 0.12833284986005 0.06434690376531 0.50593208161462 87.620 > 34 136 Sr 0.62833284986005 0.06434690376531 0.50593208161462 87.620 > 34 137 Sr 0.12833284986005 0.43565309623469 0.25593208161462 87.620 > 35 138 Sr 0.62833284986005 0.43565309623469 0.25593208161462 87.620 > 35 139 Sr 0.12833284986005 0.43565309623469 0.75593208161462 87.620 > 35 140 Sr 0.62833284986005 0.43565309623469 0.75593208161462 87.620 > 35 141 Sr 0.37166715013995 0.93565309623469 0.49406791838538 87.620 > 36 142 Sr 0.87166715013995 0.93565309623469 0.49406791838538 87.620 > 36 143 Sr 0.37166715013995 0.93565309623469 0.99406791838538 87.620 > 36 144 Sr 0.87166715013995 0.93565309623469 0.99406791838538 87.620 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.0250457 0.0000000 0.1429228 0.0000000 10.4167607 0.0000000 0.1426348 0.0000000 12.3636495 -------------------------- Born effective charges -------------------------- 1 P -3.0228161 0.3843423 -0.4759159 0.2766150 -3.3537406 0.4184550 -0.6723145 0.6324562 -3.1578768 2 P -3.0228161 -0.3843423 -0.4759159 -0.2766150 -3.3537406 -0.4184550 -0.6723145 -0.6324562 -3.1578768 3 P -3.0228161 0.3843423 -0.4759159 0.2766150 -3.3537406 0.4184550 -0.6723145 0.6324562 -3.1578768 4 P -3.0228161 -0.3843423 -0.4759159 -0.2766150 -3.3537406 -0.4184550 -0.6723145 -0.6324562 -3.1578768 5 P -2.6415579 -0.4262447 -0.5548586 -0.3347020 -3.2545407 -0.6583335 -0.5702354 -0.5566384 -3.5103256 6 P -2.6415579 0.4262447 -0.5548586 0.3347020 -3.2545407 0.6583335 -0.5702354 0.5566384 -3.5103256 7 P -2.6415579 -0.4262447 -0.5548586 -0.3347020 -3.2545407 -0.6583335 -0.5702354 -0.5566384 -3.5103256 8 P -2.6415579 0.4262447 -0.5548586 0.3347020 -3.2545407 0.6583335 -0.5702354 0.5566384 -3.5103256 9 P -2.9064115 0.1232453 0.3006621 0.1774029 -2.6217750 0.4898928 0.1376506 0.6520098 -2.9199484 10 P -2.9064115 -0.1232453 0.3006621 -0.1774029 -2.6217750 -0.4898928 0.1376506 -0.6520098 -2.9199484 11 P -2.9064115 0.1232453 0.3006621 0.1774029 -2.6217750 0.4898928 0.1376506 0.6520098 -2.9199484 12 P -2.9064115 -0.1232453 0.3006621 -0.1774029 -2.6217750 -0.4898928 0.1376506 -0.6520098 -2.9199484 13 P -2.3673719 -0.3591299 0.2851066 -0.2363585 -2.1335959 -0.3649161 0.5439948 -0.2564496 -3.1576661 14 P -2.3673719 0.3591299 0.2851066 0.2363585 -2.1335959 0.3649161 0.5439948 0.2564496 -3.1576661 15 P -2.3673719 -0.3591299 0.2851066 -0.2363585 -2.1335959 -0.3649161 0.5439948 -0.2564496 -3.1576661 16 P -2.3673719 0.3591299 0.2851066 0.2363585 -2.1335959 0.3649161 0.5439948 0.2564496 -3.1576661 17 Ge 1.7927178 -0.1286593 0.5590443 -0.2939629 2.3164969 0.4897966 0.2380954 0.1752066 2.4201613 18 Ge 1.7927178 0.1286593 0.5590443 0.2939629 2.3164969 -0.4897966 0.2380954 -0.1752066 2.4201613 19 Ge 1.7927178 -0.1286593 0.5590443 -0.2939629 2.3164969 0.4897966 0.2380954 0.1752066 2.4201613 20 Ge 1.7927178 0.1286593 0.5590443 0.2939629 2.3164969 -0.4897966 0.2380954 -0.1752066 2.4201613 21 Ge 1.1080886 -0.2558061 -0.4611674 -0.3154734 1.2734851 -0.3224167 -0.1094652 -0.0489162 2.9237083 22 Ge 1.1080886 0.2558061 -0.4611674 0.3154734 1.2734851 0.3224167 -0.1094652 0.0489162 2.9237083 23 Ge 1.1080886 -0.2558061 -0.4611674 -0.3154734 1.2734851 -0.3224167 -0.1094652 -0.0489162 2.9237083 24 Ge 1.1080886 0.2558061 -0.4611674 0.3154734 1.2734851 0.3224167 -0.1094652 0.0489162 2.9237083 25 Sr 3.3440024 0.1067336 0.1546035 -0.1932365 1.7980439 0.1986649 0.0998344 -0.2519406 2.5647551 26 Sr 3.3440024 -0.1067336 0.1546035 0.1932365 1.7980439 -0.1986649 0.0998344 0.2519406 2.5647551 27 Sr 3.3440024 0.1067336 0.1546035 -0.1932365 1.7980439 0.1986649 0.0998344 -0.2519406 2.5647551 28 Sr 3.3440024 -0.1067336 0.1546035 0.1932365 1.7980439 -0.1986649 0.0998344 0.2519406 2.5647551 29 Sr 1.9483386 0.0095187 0.0522598 0.2373659 3.0030126 -0.1715720 0.0040663 -0.1791852 2.9275522 30 Sr 1.9483386 -0.0095187 0.0522598 -0.2373659 3.0030126 0.1715720 0.0040663 0.1791852 2.9275522 31 Sr 1.9483386 0.0095187 0.0522598 0.2373659 3.0030126 -0.1715720 0.0040663 -0.1791852 2.9275522 32 Sr 1.9483386 -0.0095187 0.0522598 -0.2373659 3.0030126 0.1715720 0.0040663 0.1791852 2.9275522 33 Sr 2.7450101 0.1515466 0.1402657 0.1032300 2.9726137 0.0837912 0.3283737 -0.2474013 1.9096401 34 Sr 2.7450101 -0.1515466 0.1402657 -0.1032300 2.9726137 -0.0837912 0.3283737 0.2474013 1.9096401 35 Sr 2.7450101 0.1515466 0.1402657 0.1032300 2.9726137 0.0837912 0.3283737 -0.2474013 1.9096401 36 Sr 2.7450101 -0.1515466 0.1402657 -0.1032300 2.9726137 -0.0837912 0.3283737 0.2474013 1.9096401 ---------------------------------------------------------------------------- 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) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 281 eigenvectors found. (1) Complementary block size: 49 (1) Compute compressed projector. (1) Use standard solver. (1) 31 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) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 281 eigenvectors found. (1) Complementary block size: 49 (1) Compute compressed projector. (1) Use standard solver. (1) 31 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, 31), data: (1296, 49) @ (49, 31) |-- (296, 281), data: True |-- (500, 484), data: False |-- (500, 12), data: (500, 28) @ (28, 12) |-- (250, 238), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 31), data: (1296, 49) @ (49, 31) |-- (296, 281), data: True |-- (500, 484), data: False |-- (500, 12), data: (500, 28) @ (28, 12) |-- (250, 238), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), 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: 1.808 Solver_block: 200 / 1120 - Time: 1.612 Solver_block: 300 / 1120 - Time: 1.610 Solver_block: 400 / 1120 - Time: 1.613 Solver_block: 500 / 1120 - Time: 1.610 Solver_block: 600 / 1120 - Time: 1.609 Solver_block: 700 / 1120 - Time: 1.615 Solver_block: 800 / 1120 - Time: 1.614 Solver_block: 900 / 1120 - Time: 1.614 Solver_block: 1000 / 1120 - Time: 1.612 Solver_block: 1100 / 1120 - Time: 1.608 Solver_block: 1120 / 1120 - Time: 0.492 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 18.928 --------------------------------- 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) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 281 eigenvectors found. (1) Complementary block size: 49 (1) Compute compressed projector. (1) Use standard solver. (1) 31 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) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 281 eigenvectors found. (1) Complementary block size: 49 (1) Compute compressed projector. (1) Use standard solver. (1) 31 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, 31), data: (1296, 49) @ (49, 31) |-- (296, 281), data: True |-- (500, 484), data: False |-- (500, 12), data: (500, 28) @ (28, 12) |-- (250, 238), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 31), data: (1296, 49) @ (49, 31) |-- (296, 281), data: True |-- (500, 484), data: False |-- (500, 12), data: (500, 28) @ (28, 12) |-- (250, 238), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), 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 04:28:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:28:39]------------------------- 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 7.400580860232798 0.000000000000000 0.000000000000000 b 0.000000000000000 17.964354000000000 0.000000000000000 c -2.692138300674360 0.000000000000000 6.698419506681678 Atomic positions (fractional): 1 P 0.49156392754999 0.56808376415825 0.73887394140328 30.974 2 P 0.50843607245001 0.06808376415825 0.76112605859672 30.974 3 P 0.50843607245001 0.43191623584175 0.26112605859672 30.974 4 P 0.49156392754999 0.93191623584175 0.23887394140328 30.974 5 P 0.00895070867894 0.55949256072631 0.25612694441429 30.974 6 P 0.99104929132107 0.05949256072631 0.24387305558571 30.974 7 P 0.99104929132107 0.44050743927369 0.74387305558571 30.974 8 P 0.00895070867894 0.94050743927369 0.75612694441429 30.974 9 P 0.04466584205098 0.81494132494334 0.21811899776166 30.974 10 P 0.95533415794902 0.31494132494334 0.28188100223834 30.974 11 P 0.95533415794902 0.18505867505666 0.78188100223834 30.974 12 P 0.04466584205098 0.68505867505666 0.71811899776166 30.974 13 P 0.50229518605098 0.20017155227833 0.28195121912304 30.974 14 P 0.50229518605098 0.29982844772167 0.78195121912304 30.974 15 P 0.49770481394902 0.79982844772167 0.71804878087696 30.974 16 P 0.49770481394902 0.70017155227833 0.21804878087696 30.974 17 Ge 0.78881537756070 0.37314460157450 0.47341188273115 72.640 18 Ge 0.21118462243930 0.87314460157450 0.02658811726884 72.640 19 Ge 0.21118462243930 0.62685539842550 0.52658811726885 72.640 20 Ge 0.78881537756070 0.12685539842550 0.97341188273115 72.640 21 Ge 0.68633176575454 0.25858874893564 0.59192963289916 72.640 22 Ge 0.68633176575454 0.24141125106436 0.09192963289916 72.640 23 Ge 0.31366823424546 0.74141125106436 0.40807036710084 72.640 24 Ge 0.31366823424546 0.75858874893564 0.90807036710084 72.640 25 Sr 0.78340843987885 0.68429828272546 0.98926939608123 87.620 26 Sr 0.21659156012115 0.18429828272546 0.51073060391877 87.620 27 Sr 0.21659156012115 0.31570171727454 0.01073060391876 87.620 28 Sr 0.78340843987885 0.81570171727454 0.48926939608123 87.620 29 Sr 0.26072768646394 0.55850656691881 0.00473129582467 87.620 30 Sr 0.73927231353606 0.05850656691881 0.49526870417533 87.620 31 Sr 0.73927231353606 0.44149343308119 0.99526870417533 87.620 32 Sr 0.26072768646394 0.94149343308119 0.50473129582467 87.620 33 Sr 0.74333430027991 0.56434690376531 0.48813583677076 87.620 34 Sr 0.25666569972009 0.06434690376531 0.01186416322925 87.620 35 Sr 0.25666569972009 0.43565309623469 0.51186416322924 87.620 36 Sr 0.74333430027991 0.93565309623469 0.98813583677076 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.801161720465595 0.000000000000000 0.000000000000000 b 0.000000000000000 17.964354000000000 0.000000000000000 c -5.384276601348720 0.000000000000000 13.396839013363357 Atomic positions (fractional): 1 P 0.24578196377500 0.56808376415825 0.36943697070164 30.974 > 1 2 P 0.74578196377500 0.56808376415825 0.36943697070164 30.974 > 1 3 P 0.24578196377500 0.56808376415825 0.86943697070164 30.974 > 1 4 P 0.74578196377500 0.56808376415825 0.86943697070164 30.974 > 1 5 P 0.25421803622500 0.06808376415825 0.38056302929836 30.974 > 5 6 P 0.75421803622500 0.06808376415825 0.38056302929836 30.974 > 5 7 P 0.25421803622500 0.06808376415825 0.88056302929836 30.974 > 5 8 P 0.75421803622500 0.06808376415825 0.88056302929836 30.974 > 5 9 P 0.25421803622500 0.43191623584175 0.13056302929836 30.974 > 9 10 P 0.75421803622500 0.43191623584175 0.13056302929836 30.974 > 9 11 P 0.25421803622500 0.43191623584175 0.63056302929836 30.974 > 9 12 P 0.75421803622500 0.43191623584175 0.63056302929836 30.974 > 9 13 P 0.24578196377500 0.93191623584175 0.11943697070164 30.974 > 13 14 P 0.74578196377500 0.93191623584175 0.11943697070164 30.974 > 13 15 P 0.24578196377500 0.93191623584175 0.61943697070164 30.974 > 13 16 P 0.74578196377500 0.93191623584175 0.61943697070164 30.974 > 13 17 P 0.00447535433947 0.55949256072631 0.12806347220714 30.974 > 17 18 P 0.50447535433947 0.55949256072631 0.12806347220714 30.974 > 17 19 P 0.00447535433947 0.55949256072631 0.62806347220714 30.974 > 17 20 P 0.50447535433947 0.55949256072631 0.62806347220714 30.974 > 17 21 P 0.49552464566053 0.05949256072631 0.12193652779286 30.974 > 21 22 P 0.99552464566053 0.05949256072631 0.12193652779286 30.974 > 21 23 P 0.49552464566053 0.05949256072631 0.62193652779286 30.974 > 21 24 P 0.99552464566053 0.05949256072631 0.62193652779286 30.974 > 21 25 P 0.49552464566053 0.44050743927369 0.37193652779286 30.974 > 25 26 P 0.99552464566053 0.44050743927369 0.37193652779286 30.974 > 25 27 P 0.49552464566053 0.44050743927369 0.87193652779286 30.974 > 25 28 P 0.99552464566053 0.44050743927369 0.87193652779286 30.974 > 25 29 P 0.00447535433947 0.94050743927369 0.37806347220714 30.974 > 29 30 P 0.50447535433947 0.94050743927369 0.37806347220714 30.974 > 29 31 P 0.00447535433947 0.94050743927369 0.87806347220714 30.974 > 29 32 P 0.50447535433947 0.94050743927369 0.87806347220714 30.974 > 29 33 P 0.02233292102549 0.81494132494334 0.10905949888083 30.974 > 33 34 P 0.52233292102549 0.81494132494334 0.10905949888083 30.974 > 33 35 P 0.02233292102549 0.81494132494334 0.60905949888083 30.974 > 33 36 P 0.52233292102549 0.81494132494334 0.60905949888083 30.974 > 33 37 P 0.47766707897451 0.31494132494334 0.14094050111917 30.974 > 37 38 P 0.97766707897451 0.31494132494334 0.14094050111917 30.974 > 37 39 P 0.47766707897451 0.31494132494334 0.64094050111917 30.974 > 37 40 P 0.97766707897451 0.31494132494334 0.64094050111917 30.974 > 37 41 P 0.47766707897451 0.18505867505666 0.39094050111917 30.974 > 41 42 P 0.97766707897451 0.18505867505666 0.39094050111917 30.974 > 41 43 P 0.47766707897451 0.18505867505666 0.89094050111917 30.974 > 41 44 P 0.97766707897451 0.18505867505666 0.89094050111917 30.974 > 41 45 P 0.02233292102549 0.68505867505666 0.35905949888083 30.974 > 45 46 P 0.52233292102549 0.68505867505666 0.35905949888083 30.974 > 45 47 P 0.02233292102549 0.68505867505666 0.85905949888083 30.974 > 45 48 P 0.52233292102549 0.68505867505666 0.85905949888083 30.974 > 45 49 P 0.25114759302549 0.20017155227833 0.14097560956152 30.974 > 49 50 P 0.75114759302549 0.20017155227833 0.14097560956152 30.974 > 49 51 P 0.25114759302549 0.20017155227833 0.64097560956152 30.974 > 49 52 P 0.75114759302549 0.20017155227833 0.64097560956152 30.974 > 49 53 P 0.25114759302549 0.29982844772167 0.39097560956152 30.974 > 53 54 P 0.75114759302549 0.29982844772167 0.39097560956152 30.974 > 53 55 P 0.25114759302549 0.29982844772167 0.89097560956152 30.974 > 53 56 P 0.75114759302549 0.29982844772167 0.89097560956152 30.974 > 53 57 P 0.24885240697451 0.79982844772167 0.35902439043848 30.974 > 57 58 P 0.74885240697451 0.79982844772167 0.35902439043848 30.974 > 57 59 P 0.24885240697451 0.79982844772167 0.85902439043848 30.974 > 57 60 P 0.74885240697451 0.79982844772167 0.85902439043848 30.974 > 57 61 P 0.24885240697451 0.70017155227833 0.10902439043848 30.974 > 61 62 P 0.74885240697451 0.70017155227833 0.10902439043848 30.974 > 61 63 P 0.24885240697451 0.70017155227833 0.60902439043848 30.974 > 61 64 P 0.74885240697451 0.70017155227833 0.60902439043848 30.974 > 61 65 Ge 0.39440768878035 0.37314460157450 0.23670594136558 72.640 > 65 66 Ge 0.89440768878035 0.37314460157450 0.23670594136558 72.640 > 65 67 Ge 0.39440768878035 0.37314460157450 0.73670594136558 72.640 > 65 68 Ge 0.89440768878035 0.37314460157450 0.73670594136558 72.640 > 65 69 Ge 0.10559231121965 0.87314460157450 0.01329405863442 72.640 > 69 70 Ge 0.60559231121965 0.87314460157450 0.01329405863442 72.640 > 69 71 Ge 0.10559231121965 0.87314460157450 0.51329405863442 72.640 > 69 72 Ge 0.60559231121965 0.87314460157450 0.51329405863442 72.640 > 69 73 Ge 0.10559231121965 0.62685539842550 0.26329405863442 72.640 > 73 74 Ge 0.60559231121965 0.62685539842550 0.26329405863442 72.640 > 73 75 Ge 0.10559231121965 0.62685539842550 0.76329405863442 72.640 > 73 76 Ge 0.60559231121965 0.62685539842550 0.76329405863442 72.640 > 73 77 Ge 0.39440768878035 0.12685539842550 0.48670594136558 72.640 > 77 78 Ge 0.89440768878035 0.12685539842550 0.48670594136558 72.640 > 77 79 Ge 0.39440768878035 0.12685539842550 0.98670594136558 72.640 > 77 80 Ge 0.89440768878035 0.12685539842550 0.98670594136558 72.640 > 77 81 Ge 0.34316588287727 0.25858874893564 0.29596481644958 72.640 > 81 82 Ge 0.84316588287727 0.25858874893564 0.29596481644958 72.640 > 81 83 Ge 0.34316588287727 0.25858874893564 0.79596481644958 72.640 > 81 84 Ge 0.84316588287727 0.25858874893564 0.79596481644958 72.640 > 81 85 Ge 0.34316588287727 0.24141125106436 0.04596481644958 72.640 > 85 86 Ge 0.84316588287727 0.24141125106436 0.04596481644958 72.640 > 85 87 Ge 0.34316588287727 0.24141125106436 0.54596481644958 72.640 > 85 88 Ge 0.84316588287727 0.24141125106436 0.54596481644958 72.640 > 85 89 Ge 0.15683411712273 0.74141125106436 0.20403518355042 72.640 > 89 90 Ge 0.65683411712273 0.74141125106436 0.20403518355042 72.640 > 89 91 Ge 0.15683411712273 0.74141125106436 0.70403518355042 72.640 > 89 92 Ge 0.65683411712273 0.74141125106436 0.70403518355042 72.640 > 89 93 Ge 0.15683411712273 0.75858874893564 0.45403518355042 72.640 > 93 94 Ge 0.65683411712273 0.75858874893564 0.45403518355042 72.640 > 93 95 Ge 0.15683411712273 0.75858874893564 0.95403518355042 72.640 > 93 96 Ge 0.65683411712273 0.75858874893564 0.95403518355042 72.640 > 93 97 Sr 0.39170421993942 0.68429828272546 0.49463469804062 87.620 > 97 98 Sr 0.89170421993942 0.68429828272546 0.49463469804062 87.620 > 97 99 Sr 0.39170421993942 0.68429828272546 0.99463469804062 87.620 > 97 100 Sr 0.89170421993942 0.68429828272546 0.99463469804062 87.620 > 97 101 Sr 0.10829578006058 0.18429828272546 0.25536530195938 87.620 > 101 102 Sr 0.60829578006058 0.18429828272546 0.25536530195938 87.620 > 101 103 Sr 0.10829578006058 0.18429828272546 0.75536530195938 87.620 > 101 104 Sr 0.60829578006058 0.18429828272546 0.75536530195938 87.620 > 101 105 Sr 0.10829578006058 0.31570171727454 0.00536530195938 87.620 > 105 106 Sr 0.60829578006058 0.31570171727454 0.00536530195938 87.620 > 105 107 Sr 0.10829578006058 0.31570171727454 0.50536530195938 87.620 > 105 108 Sr 0.60829578006058 0.31570171727454 0.50536530195938 87.620 > 105 109 Sr 0.39170421993942 0.81570171727454 0.24463469804062 87.620 > 109 110 Sr 0.89170421993942 0.81570171727454 0.24463469804062 87.620 > 109 111 Sr 0.39170421993942 0.81570171727454 0.74463469804062 87.620 > 109 112 Sr 0.89170421993942 0.81570171727454 0.74463469804062 87.620 > 109 113 Sr 0.13036384323197 0.55850656691881 0.00236564791233 87.620 > 113 114 Sr 0.63036384323197 0.55850656691881 0.00236564791233 87.620 > 113 115 Sr 0.13036384323197 0.55850656691881 0.50236564791233 87.620 > 113 116 Sr 0.63036384323197 0.55850656691881 0.50236564791233 87.620 > 113 117 Sr 0.36963615676803 0.05850656691881 0.24763435208767 87.620 > 117 118 Sr 0.86963615676803 0.05850656691881 0.24763435208767 87.620 > 117 119 Sr 0.36963615676803 0.05850656691881 0.74763435208767 87.620 > 117 120 Sr 0.86963615676803 0.05850656691881 0.74763435208767 87.620 > 117 121 Sr 0.36963615676803 0.44149343308119 0.49763435208767 87.620 > 121 122 Sr 0.86963615676803 0.44149343308119 0.49763435208767 87.620 > 121 123 Sr 0.36963615676803 0.44149343308119 0.99763435208767 87.620 > 121 124 Sr 0.86963615676803 0.44149343308119 0.99763435208767 87.620 > 121 125 Sr 0.13036384323197 0.94149343308119 0.25236564791233 87.620 > 125 126 Sr 0.63036384323197 0.94149343308119 0.25236564791233 87.620 > 125 127 Sr 0.13036384323197 0.94149343308119 0.75236564791233 87.620 > 125 128 Sr 0.63036384323197 0.94149343308119 0.75236564791233 87.620 > 125 129 Sr 0.37166715013995 0.56434690376531 0.24406791838538 87.620 > 129 130 Sr 0.87166715013995 0.56434690376531 0.24406791838538 87.620 > 129 131 Sr 0.37166715013995 0.56434690376531 0.74406791838538 87.620 > 129 132 Sr 0.87166715013995 0.56434690376531 0.74406791838538 87.620 > 129 133 Sr 0.12833284986005 0.06434690376531 0.00593208161462 87.620 > 133 134 Sr 0.62833284986005 0.06434690376531 0.00593208161462 87.620 > 133 135 Sr 0.12833284986005 0.06434690376531 0.50593208161462 87.620 > 133 136 Sr 0.62833284986005 0.06434690376531 0.50593208161462 87.620 > 133 137 Sr 0.12833284986005 0.43565309623469 0.25593208161462 87.620 > 137 138 Sr 0.62833284986005 0.43565309623469 0.25593208161462 87.620 > 137 139 Sr 0.12833284986005 0.43565309623469 0.75593208161462 87.620 > 137 140 Sr 0.62833284986005 0.43565309623469 0.75593208161462 87.620 > 137 141 Sr 0.37166715013995 0.93565309623469 0.49406791838538 87.620 > 141 142 Sr 0.87166715013995 0.93565309623469 0.49406791838538 87.620 > 141 143 Sr 0.37166715013995 0.93565309623469 0.99406791838538 87.620 > 141 144 Sr 0.87166715013995 0.93565309623469 0.99406791838538 87.620 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.0250457 0.0000000 0.1429228 0.0000000 10.4167607 0.0000000 0.1426348 0.0000000 12.3636495 -------------------------- Born effective charges -------------------------- 1 P -3.0228161 0.3843423 -0.4759159 0.2766150 -3.3537406 0.4184550 -0.6723145 0.6324562 -3.1578768 2 P -3.0228161 -0.3843423 -0.4759159 -0.2766150 -3.3537406 -0.4184550 -0.6723145 -0.6324562 -3.1578768 3 P -3.0228161 0.3843423 -0.4759159 0.2766150 -3.3537406 0.4184550 -0.6723145 0.6324562 -3.1578768 4 P -3.0228161 -0.3843423 -0.4759159 -0.2766150 -3.3537406 -0.4184550 -0.6723145 -0.6324562 -3.1578768 5 P -2.6415579 -0.4262447 -0.5548586 -0.3347020 -3.2545407 -0.6583335 -0.5702354 -0.5566384 -3.5103256 6 P -2.6415579 0.4262447 -0.5548586 0.3347020 -3.2545407 0.6583335 -0.5702354 0.5566384 -3.5103256 7 P -2.6415579 -0.4262447 -0.5548586 -0.3347020 -3.2545407 -0.6583335 -0.5702354 -0.5566384 -3.5103256 8 P -2.6415579 0.4262447 -0.5548586 0.3347020 -3.2545407 0.6583335 -0.5702354 0.5566384 -3.5103256 9 P -2.9064115 0.1232453 0.3006621 0.1774029 -2.6217750 0.4898928 0.1376506 0.6520098 -2.9199484 10 P -2.9064115 -0.1232453 0.3006621 -0.1774029 -2.6217750 -0.4898928 0.1376506 -0.6520098 -2.9199484 11 P -2.9064115 0.1232453 0.3006621 0.1774029 -2.6217750 0.4898928 0.1376506 0.6520098 -2.9199484 12 P -2.9064115 -0.1232453 0.3006621 -0.1774029 -2.6217750 -0.4898928 0.1376506 -0.6520098 -2.9199484 13 P -2.3673719 -0.3591299 0.2851066 -0.2363585 -2.1335959 -0.3649161 0.5439948 -0.2564496 -3.1576661 14 P -2.3673719 0.3591299 0.2851066 0.2363585 -2.1335959 0.3649161 0.5439948 0.2564496 -3.1576661 15 P -2.3673719 -0.3591299 0.2851066 -0.2363585 -2.1335959 -0.3649161 0.5439948 -0.2564496 -3.1576661 16 P -2.3673719 0.3591299 0.2851066 0.2363585 -2.1335959 0.3649161 0.5439948 0.2564496 -3.1576661 17 Ge 1.7927178 -0.1286593 0.5590443 -0.2939629 2.3164969 0.4897966 0.2380954 0.1752066 2.4201613 18 Ge 1.7927178 0.1286593 0.5590443 0.2939629 2.3164969 -0.4897966 0.2380954 -0.1752066 2.4201613 19 Ge 1.7927178 -0.1286593 0.5590443 -0.2939629 2.3164969 0.4897966 0.2380954 0.1752066 2.4201613 20 Ge 1.7927178 0.1286593 0.5590443 0.2939629 2.3164969 -0.4897966 0.2380954 -0.1752066 2.4201613 21 Ge 1.1080886 -0.2558061 -0.4611674 -0.3154734 1.2734851 -0.3224167 -0.1094652 -0.0489162 2.9237083 22 Ge 1.1080886 0.2558061 -0.4611674 0.3154734 1.2734851 0.3224167 -0.1094652 0.0489162 2.9237083 23 Ge 1.1080886 -0.2558061 -0.4611674 -0.3154734 1.2734851 -0.3224167 -0.1094652 -0.0489162 2.9237083 24 Ge 1.1080886 0.2558061 -0.4611674 0.3154734 1.2734851 0.3224167 -0.1094652 0.0489162 2.9237083 25 Sr 3.3440024 0.1067336 0.1546035 -0.1932365 1.7980439 0.1986649 0.0998344 -0.2519406 2.5647551 26 Sr 3.3440024 -0.1067336 0.1546035 0.1932365 1.7980439 -0.1986649 0.0998344 0.2519406 2.5647551 27 Sr 3.3440024 0.1067336 0.1546035 -0.1932365 1.7980439 0.1986649 0.0998344 -0.2519406 2.5647551 28 Sr 3.3440024 -0.1067336 0.1546035 0.1932365 1.7980439 -0.1986649 0.0998344 0.2519406 2.5647551 29 Sr 1.9483386 0.0095187 0.0522598 0.2373659 3.0030126 -0.1715720 0.0040663 -0.1791852 2.9275522 30 Sr 1.9483386 -0.0095187 0.0522598 -0.2373659 3.0030126 0.1715720 0.0040663 0.1791852 2.9275522 31 Sr 1.9483386 0.0095187 0.0522598 0.2373659 3.0030126 -0.1715720 0.0040663 -0.1791852 2.9275522 32 Sr 1.9483386 -0.0095187 0.0522598 -0.2373659 3.0030126 0.1715720 0.0040663 0.1791852 2.9275522 33 Sr 2.7450101 0.1515466 0.1402657 0.1032300 2.9726137 0.0837912 0.3283737 -0.2474013 1.9096401 34 Sr 2.7450101 -0.1515466 0.1402657 -0.1032300 2.9726137 -0.0837912 0.3283737 0.2474013 1.9096401 35 Sr 2.7450101 0.1515466 0.1402657 0.1032300 2.9726137 0.0837912 0.3283737 -0.2474013 1.9096401 36 Sr 2.7450101 -0.1515466 0.1402657 -0.1032300 2.9726137 -0.0837912 0.3283737 0.2474013 1.9096401 ---------------------------------------------------------------------------- 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 129, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] 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 (xz) -0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:29:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:29:41]------------------------- 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 7.400580860232798 0.000000000000000 0.000000000000000 b 0.000000000000000 17.964354000000000 0.000000000000000 c -2.692138300674360 0.000000000000000 6.698419506681678 Atomic positions (fractional): 1 P 0.49156392754999 0.56808376415825 0.73887394140328 30.974 2 P 0.50843607245001 0.06808376415825 0.76112605859672 30.974 3 P 0.50843607245001 0.43191623584175 0.26112605859672 30.974 4 P 0.49156392754999 0.93191623584175 0.23887394140328 30.974 5 P 0.00895070867894 0.55949256072631 0.25612694441429 30.974 6 P 0.99104929132107 0.05949256072631 0.24387305558571 30.974 7 P 0.99104929132107 0.44050743927369 0.74387305558571 30.974 8 P 0.00895070867894 0.94050743927369 0.75612694441429 30.974 9 P 0.04466584205098 0.81494132494334 0.21811899776166 30.974 10 P 0.95533415794902 0.31494132494334 0.28188100223834 30.974 11 P 0.95533415794902 0.18505867505666 0.78188100223834 30.974 12 P 0.04466584205098 0.68505867505666 0.71811899776166 30.974 13 P 0.50229518605098 0.20017155227833 0.28195121912304 30.974 14 P 0.50229518605098 0.29982844772167 0.78195121912304 30.974 15 P 0.49770481394902 0.79982844772167 0.71804878087696 30.974 16 P 0.49770481394902 0.70017155227833 0.21804878087696 30.974 17 Ge 0.78881537756070 0.37314460157450 0.47341188273115 72.640 18 Ge 0.21118462243930 0.87314460157450 0.02658811726884 72.640 19 Ge 0.21118462243930 0.62685539842550 0.52658811726885 72.640 20 Ge 0.78881537756070 0.12685539842550 0.97341188273115 72.640 21 Ge 0.68633176575454 0.25858874893564 0.59192963289916 72.640 22 Ge 0.68633176575454 0.24141125106436 0.09192963289916 72.640 23 Ge 0.31366823424546 0.74141125106436 0.40807036710084 72.640 24 Ge 0.31366823424546 0.75858874893564 0.90807036710084 72.640 25 Sr 0.78340843987885 0.68429828272546 0.98926939608123 87.620 26 Sr 0.21659156012115 0.18429828272546 0.51073060391877 87.620 27 Sr 0.21659156012115 0.31570171727454 0.01073060391876 87.620 28 Sr 0.78340843987885 0.81570171727454 0.48926939608123 87.620 29 Sr 0.26072768646394 0.55850656691881 0.00473129582467 87.620 30 Sr 0.73927231353606 0.05850656691881 0.49526870417533 87.620 31 Sr 0.73927231353606 0.44149343308119 0.99526870417533 87.620 32 Sr 0.26072768646394 0.94149343308119 0.50473129582467 87.620 33 Sr 0.74333430027991 0.56434690376531 0.48813583677076 87.620 34 Sr 0.25666569972009 0.06434690376531 0.01186416322925 87.620 35 Sr 0.25666569972009 0.43565309623469 0.51186416322924 87.620 36 Sr 0.74333430027991 0.93565309623469 0.98813583677076 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.801161720465595 0.000000000000000 0.000000000000000 b 0.000000000000000 17.964354000000000 0.000000000000000 c -5.384276601348720 0.000000000000000 13.396839013363357 Atomic positions (fractional): 1 P 0.24578196377500 0.56808376415825 0.36943697070164 30.974 > 1 2 P 0.74578196377500 0.56808376415825 0.36943697070164 30.974 > 1 3 P 0.24578196377500 0.56808376415825 0.86943697070164 30.974 > 1 4 P 0.74578196377500 0.56808376415825 0.86943697070164 30.974 > 1 5 P 0.25421803622500 0.06808376415825 0.38056302929836 30.974 > 5 6 P 0.75421803622500 0.06808376415825 0.38056302929836 30.974 > 5 7 P 0.25421803622500 0.06808376415825 0.88056302929836 30.974 > 5 8 P 0.75421803622500 0.06808376415825 0.88056302929836 30.974 > 5 9 P 0.25421803622500 0.43191623584175 0.13056302929836 30.974 > 9 10 P 0.75421803622500 0.43191623584175 0.13056302929836 30.974 > 9 11 P 0.25421803622500 0.43191623584175 0.63056302929836 30.974 > 9 12 P 0.75421803622500 0.43191623584175 0.63056302929836 30.974 > 9 13 P 0.24578196377500 0.93191623584175 0.11943697070164 30.974 > 13 14 P 0.74578196377500 0.93191623584175 0.11943697070164 30.974 > 13 15 P 0.24578196377500 0.93191623584175 0.61943697070164 30.974 > 13 16 P 0.74578196377500 0.93191623584175 0.61943697070164 30.974 > 13 17 P 0.00447535433947 0.55949256072631 0.12806347220714 30.974 > 17 18 P 0.50447535433947 0.55949256072631 0.12806347220714 30.974 > 17 19 P 0.00447535433947 0.55949256072631 0.62806347220714 30.974 > 17 20 P 0.50447535433947 0.55949256072631 0.62806347220714 30.974 > 17 21 P 0.49552464566053 0.05949256072631 0.12193652779286 30.974 > 21 22 P 0.99552464566053 0.05949256072631 0.12193652779286 30.974 > 21 23 P 0.49552464566053 0.05949256072631 0.62193652779286 30.974 > 21 24 P 0.99552464566053 0.05949256072631 0.62193652779286 30.974 > 21 25 P 0.49552464566053 0.44050743927369 0.37193652779286 30.974 > 25 26 P 0.99552464566053 0.44050743927369 0.37193652779286 30.974 > 25 27 P 0.49552464566053 0.44050743927369 0.87193652779286 30.974 > 25 28 P 0.99552464566053 0.44050743927369 0.87193652779286 30.974 > 25 29 P 0.00447535433947 0.94050743927369 0.37806347220714 30.974 > 29 30 P 0.50447535433947 0.94050743927369 0.37806347220714 30.974 > 29 31 P 0.00447535433947 0.94050743927369 0.87806347220714 30.974 > 29 32 P 0.50447535433947 0.94050743927369 0.87806347220714 30.974 > 29 33 P 0.02233292102549 0.81494132494334 0.10905949888083 30.974 > 33 34 P 0.52233292102549 0.81494132494334 0.10905949888083 30.974 > 33 35 P 0.02233292102549 0.81494132494334 0.60905949888083 30.974 > 33 36 P 0.52233292102549 0.81494132494334 0.60905949888083 30.974 > 33 37 P 0.47766707897451 0.31494132494334 0.14094050111917 30.974 > 37 38 P 0.97766707897451 0.31494132494334 0.14094050111917 30.974 > 37 39 P 0.47766707897451 0.31494132494334 0.64094050111917 30.974 > 37 40 P 0.97766707897451 0.31494132494334 0.64094050111917 30.974 > 37 41 P 0.47766707897451 0.18505867505666 0.39094050111917 30.974 > 41 42 P 0.97766707897451 0.18505867505666 0.39094050111917 30.974 > 41 43 P 0.47766707897451 0.18505867505666 0.89094050111917 30.974 > 41 44 P 0.97766707897451 0.18505867505666 0.89094050111917 30.974 > 41 45 P 0.02233292102549 0.68505867505666 0.35905949888083 30.974 > 45 46 P 0.52233292102549 0.68505867505666 0.35905949888083 30.974 > 45 47 P 0.02233292102549 0.68505867505666 0.85905949888083 30.974 > 45 48 P 0.52233292102549 0.68505867505666 0.85905949888083 30.974 > 45 49 P 0.25114759302549 0.20017155227833 0.14097560956152 30.974 > 49 50 P 0.75114759302549 0.20017155227833 0.14097560956152 30.974 > 49 51 P 0.25114759302549 0.20017155227833 0.64097560956152 30.974 > 49 52 P 0.75114759302549 0.20017155227833 0.64097560956152 30.974 > 49 53 P 0.25114759302549 0.29982844772167 0.39097560956152 30.974 > 53 54 P 0.75114759302549 0.29982844772167 0.39097560956152 30.974 > 53 55 P 0.25114759302549 0.29982844772167 0.89097560956152 30.974 > 53 56 P 0.75114759302549 0.29982844772167 0.89097560956152 30.974 > 53 57 P 0.24885240697451 0.79982844772167 0.35902439043848 30.974 > 57 58 P 0.74885240697451 0.79982844772167 0.35902439043848 30.974 > 57 59 P 0.24885240697451 0.79982844772167 0.85902439043848 30.974 > 57 60 P 0.74885240697451 0.79982844772167 0.85902439043848 30.974 > 57 61 P 0.24885240697451 0.70017155227833 0.10902439043848 30.974 > 61 62 P 0.74885240697451 0.70017155227833 0.10902439043848 30.974 > 61 63 P 0.24885240697451 0.70017155227833 0.60902439043848 30.974 > 61 64 P 0.74885240697451 0.70017155227833 0.60902439043848 30.974 > 61 65 Ge 0.39440768878035 0.37314460157450 0.23670594136558 72.640 > 65 66 Ge 0.89440768878035 0.37314460157450 0.23670594136558 72.640 > 65 67 Ge 0.39440768878035 0.37314460157450 0.73670594136558 72.640 > 65 68 Ge 0.89440768878035 0.37314460157450 0.73670594136558 72.640 > 65 69 Ge 0.10559231121965 0.87314460157450 0.01329405863442 72.640 > 69 70 Ge 0.60559231121965 0.87314460157450 0.01329405863442 72.640 > 69 71 Ge 0.10559231121965 0.87314460157450 0.51329405863442 72.640 > 69 72 Ge 0.60559231121965 0.87314460157450 0.51329405863442 72.640 > 69 73 Ge 0.10559231121965 0.62685539842550 0.26329405863442 72.640 > 73 74 Ge 0.60559231121965 0.62685539842550 0.26329405863442 72.640 > 73 75 Ge 0.10559231121965 0.62685539842550 0.76329405863442 72.640 > 73 76 Ge 0.60559231121965 0.62685539842550 0.76329405863442 72.640 > 73 77 Ge 0.39440768878035 0.12685539842550 0.48670594136558 72.640 > 77 78 Ge 0.89440768878035 0.12685539842550 0.48670594136558 72.640 > 77 79 Ge 0.39440768878035 0.12685539842550 0.98670594136558 72.640 > 77 80 Ge 0.89440768878035 0.12685539842550 0.98670594136558 72.640 > 77 81 Ge 0.34316588287727 0.25858874893564 0.29596481644958 72.640 > 81 82 Ge 0.84316588287727 0.25858874893564 0.29596481644958 72.640 > 81 83 Ge 0.34316588287727 0.25858874893564 0.79596481644958 72.640 > 81 84 Ge 0.84316588287727 0.25858874893564 0.79596481644958 72.640 > 81 85 Ge 0.34316588287727 0.24141125106436 0.04596481644958 72.640 > 85 86 Ge 0.84316588287727 0.24141125106436 0.04596481644958 72.640 > 85 87 Ge 0.34316588287727 0.24141125106436 0.54596481644958 72.640 > 85 88 Ge 0.84316588287727 0.24141125106436 0.54596481644958 72.640 > 85 89 Ge 0.15683411712273 0.74141125106436 0.20403518355042 72.640 > 89 90 Ge 0.65683411712273 0.74141125106436 0.20403518355042 72.640 > 89 91 Ge 0.15683411712273 0.74141125106436 0.70403518355042 72.640 > 89 92 Ge 0.65683411712273 0.74141125106436 0.70403518355042 72.640 > 89 93 Ge 0.15683411712273 0.75858874893564 0.45403518355042 72.640 > 93 94 Ge 0.65683411712273 0.75858874893564 0.45403518355042 72.640 > 93 95 Ge 0.15683411712273 0.75858874893564 0.95403518355042 72.640 > 93 96 Ge 0.65683411712273 0.75858874893564 0.95403518355042 72.640 > 93 97 Sr 0.39170421993942 0.68429828272546 0.49463469804062 87.620 > 97 98 Sr 0.89170421993942 0.68429828272546 0.49463469804062 87.620 > 97 99 Sr 0.39170421993942 0.68429828272546 0.99463469804062 87.620 > 97 100 Sr 0.89170421993942 0.68429828272546 0.99463469804062 87.620 > 97 101 Sr 0.10829578006058 0.18429828272546 0.25536530195938 87.620 > 101 102 Sr 0.60829578006058 0.18429828272546 0.25536530195938 87.620 > 101 103 Sr 0.10829578006058 0.18429828272546 0.75536530195938 87.620 > 101 104 Sr 0.60829578006058 0.18429828272546 0.75536530195938 87.620 > 101 105 Sr 0.10829578006058 0.31570171727454 0.00536530195938 87.620 > 105 106 Sr 0.60829578006058 0.31570171727454 0.00536530195938 87.620 > 105 107 Sr 0.10829578006058 0.31570171727454 0.50536530195938 87.620 > 105 108 Sr 0.60829578006058 0.31570171727454 0.50536530195938 87.620 > 105 109 Sr 0.39170421993942 0.81570171727454 0.24463469804062 87.620 > 109 110 Sr 0.89170421993942 0.81570171727454 0.24463469804062 87.620 > 109 111 Sr 0.39170421993942 0.81570171727454 0.74463469804062 87.620 > 109 112 Sr 0.89170421993942 0.81570171727454 0.74463469804062 87.620 > 109 113 Sr 0.13036384323197 0.55850656691881 0.00236564791233 87.620 > 113 114 Sr 0.63036384323197 0.55850656691881 0.00236564791233 87.620 > 113 115 Sr 0.13036384323197 0.55850656691881 0.50236564791233 87.620 > 113 116 Sr 0.63036384323197 0.55850656691881 0.50236564791233 87.620 > 113 117 Sr 0.36963615676803 0.05850656691881 0.24763435208767 87.620 > 117 118 Sr 0.86963615676803 0.05850656691881 0.24763435208767 87.620 > 117 119 Sr 0.36963615676803 0.05850656691881 0.74763435208767 87.620 > 117 120 Sr 0.86963615676803 0.05850656691881 0.74763435208767 87.620 > 117 121 Sr 0.36963615676803 0.44149343308119 0.49763435208767 87.620 > 121 122 Sr 0.86963615676803 0.44149343308119 0.49763435208767 87.620 > 121 123 Sr 0.36963615676803 0.44149343308119 0.99763435208767 87.620 > 121 124 Sr 0.86963615676803 0.44149343308119 0.99763435208767 87.620 > 121 125 Sr 0.13036384323197 0.94149343308119 0.25236564791233 87.620 > 125 126 Sr 0.63036384323197 0.94149343308119 0.25236564791233 87.620 > 125 127 Sr 0.13036384323197 0.94149343308119 0.75236564791233 87.620 > 125 128 Sr 0.63036384323197 0.94149343308119 0.75236564791233 87.620 > 125 129 Sr 0.37166715013995 0.56434690376531 0.24406791838538 87.620 > 129 130 Sr 0.87166715013995 0.56434690376531 0.24406791838538 87.620 > 129 131 Sr 0.37166715013995 0.56434690376531 0.74406791838538 87.620 > 129 132 Sr 0.87166715013995 0.56434690376531 0.74406791838538 87.620 > 129 133 Sr 0.12833284986005 0.06434690376531 0.00593208161462 87.620 > 133 134 Sr 0.62833284986005 0.06434690376531 0.00593208161462 87.620 > 133 135 Sr 0.12833284986005 0.06434690376531 0.50593208161462 87.620 > 133 136 Sr 0.62833284986005 0.06434690376531 0.50593208161462 87.620 > 133 137 Sr 0.12833284986005 0.43565309623469 0.25593208161462 87.620 > 137 138 Sr 0.62833284986005 0.43565309623469 0.25593208161462 87.620 > 137 139 Sr 0.12833284986005 0.43565309623469 0.75593208161462 87.620 > 137 140 Sr 0.62833284986005 0.43565309623469 0.75593208161462 87.620 > 137 141 Sr 0.37166715013995 0.93565309623469 0.49406791838538 87.620 > 141 142 Sr 0.87166715013995 0.93565309623469 0.49406791838538 87.620 > 141 143 Sr 0.37166715013995 0.93565309623469 0.99406791838538 87.620 > 141 144 Sr 0.87166715013995 0.93565309623469 0.99406791838538 87.620 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 10.0250457 0.0000000 0.1429228 0.0000000 10.4167607 0.0000000 0.1426348 0.0000000 12.3636495 -------------------------- Born effective charges -------------------------- 1 P -3.0228161 0.3843423 -0.4759159 0.2766150 -3.3537406 0.4184550 -0.6723145 0.6324562 -3.1578768 2 P -3.0228161 -0.3843423 -0.4759159 -0.2766150 -3.3537406 -0.4184550 -0.6723145 -0.6324562 -3.1578768 3 P -3.0228161 0.3843423 -0.4759159 0.2766150 -3.3537406 0.4184550 -0.6723145 0.6324562 -3.1578768 4 P -3.0228161 -0.3843423 -0.4759159 -0.2766150 -3.3537406 -0.4184550 -0.6723145 -0.6324562 -3.1578768 5 P -2.6415579 -0.4262447 -0.5548586 -0.3347020 -3.2545407 -0.6583335 -0.5702354 -0.5566384 -3.5103256 6 P -2.6415579 0.4262447 -0.5548586 0.3347020 -3.2545407 0.6583335 -0.5702354 0.5566384 -3.5103256 7 P -2.6415579 -0.4262447 -0.5548586 -0.3347020 -3.2545407 -0.6583335 -0.5702354 -0.5566384 -3.5103256 8 P -2.6415579 0.4262447 -0.5548586 0.3347020 -3.2545407 0.6583335 -0.5702354 0.5566384 -3.5103256 9 P -2.9064115 0.1232453 0.3006621 0.1774029 -2.6217750 0.4898928 0.1376506 0.6520098 -2.9199484 10 P -2.9064115 -0.1232453 0.3006621 -0.1774029 -2.6217750 -0.4898928 0.1376506 -0.6520098 -2.9199484 11 P -2.9064115 0.1232453 0.3006621 0.1774029 -2.6217750 0.4898928 0.1376506 0.6520098 -2.9199484 12 P -2.9064115 -0.1232453 0.3006621 -0.1774029 -2.6217750 -0.4898928 0.1376506 -0.6520098 -2.9199484 13 P -2.3673719 -0.3591299 0.2851066 -0.2363585 -2.1335959 -0.3649161 0.5439948 -0.2564496 -3.1576661 14 P -2.3673719 0.3591299 0.2851066 0.2363585 -2.1335959 0.3649161 0.5439948 0.2564496 -3.1576661 15 P -2.3673719 -0.3591299 0.2851066 -0.2363585 -2.1335959 -0.3649161 0.5439948 -0.2564496 -3.1576661 16 P -2.3673719 0.3591299 0.2851066 0.2363585 -2.1335959 0.3649161 0.5439948 0.2564496 -3.1576661 17 Ge 1.7927178 -0.1286593 0.5590443 -0.2939629 2.3164969 0.4897966 0.2380954 0.1752066 2.4201613 18 Ge 1.7927178 0.1286593 0.5590443 0.2939629 2.3164969 -0.4897966 0.2380954 -0.1752066 2.4201613 19 Ge 1.7927178 -0.1286593 0.5590443 -0.2939629 2.3164969 0.4897966 0.2380954 0.1752066 2.4201613 20 Ge 1.7927178 0.1286593 0.5590443 0.2939629 2.3164969 -0.4897966 0.2380954 -0.1752066 2.4201613 21 Ge 1.1080886 -0.2558061 -0.4611674 -0.3154734 1.2734851 -0.3224167 -0.1094652 -0.0489162 2.9237083 22 Ge 1.1080886 0.2558061 -0.4611674 0.3154734 1.2734851 0.3224167 -0.1094652 0.0489162 2.9237083 23 Ge 1.1080886 -0.2558061 -0.4611674 -0.3154734 1.2734851 -0.3224167 -0.1094652 -0.0489162 2.9237083 24 Ge 1.1080886 0.2558061 -0.4611674 0.3154734 1.2734851 0.3224167 -0.1094652 0.0489162 2.9237083 25 Sr 3.3440024 0.1067336 0.1546035 -0.1932365 1.7980439 0.1986649 0.0998344 -0.2519406 2.5647551 26 Sr 3.3440024 -0.1067336 0.1546035 0.1932365 1.7980439 -0.1986649 0.0998344 0.2519406 2.5647551 27 Sr 3.3440024 0.1067336 0.1546035 -0.1932365 1.7980439 0.1986649 0.0998344 -0.2519406 2.5647551 28 Sr 3.3440024 -0.1067336 0.1546035 0.1932365 1.7980439 -0.1986649 0.0998344 0.2519406 2.5647551 29 Sr 1.9483386 0.0095187 0.0522598 0.2373659 3.0030126 -0.1715720 0.0040663 -0.1791852 2.9275522 30 Sr 1.9483386 -0.0095187 0.0522598 -0.2373659 3.0030126 0.1715720 0.0040663 0.1791852 2.9275522 31 Sr 1.9483386 0.0095187 0.0522598 0.2373659 3.0030126 -0.1715720 0.0040663 -0.1791852 2.9275522 32 Sr 1.9483386 -0.0095187 0.0522598 -0.2373659 3.0030126 0.1715720 0.0040663 0.1791852 2.9275522 33 Sr 2.7450101 0.1515466 0.1402657 0.1032300 2.9726137 0.0837912 0.3283737 -0.2474013 1.9096401 34 Sr 2.7450101 -0.1515466 0.1402657 -0.1032300 2.9726137 -0.0837912 0.3283737 0.2474013 1.9096401 35 Sr 2.7450101 0.1515466 0.1402657 0.1032300 2.9726137 0.0837912 0.3283737 -0.2474013 1.9096401 36 Sr 2.7450101 -0.1515466 0.1402657 -0.1032300 2.9726137 -0.0837912 0.3283737 0.2474013 1.9096401 ---------------------------------------------------------------------------- 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: 0.43, Number of G-points: 295, Lambda: 0.15 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: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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 1.357 ( 0.000 0.000 0.000) 0.000 1.417 ( 0.000 0.000 0.000) 0.000 1.850 ( 0.000 0.000 0.000) 0.000 1.906 ( 0.000 0.000 0.000) 0.000 2.232 ( 0.000 0.000 0.000) 0.000 2.274 ( 0.000 0.000 0.000) 0.000 2.318 ( 0.000 0.000 0.000) 0.000 2.385 ( 0.000 0.000 0.000) 0.000 2.481 ( 0.000 0.000 0.000) 0.000 2.591 ( 0.000 0.000 0.000) 0.000 2.601 ( 0.000 0.000 0.000) 0.000 2.631 ( 0.000 0.000 0.000) 0.000 2.647 ( 0.000 0.000 0.000) 0.000 2.749 ( 0.000 0.000 0.000) 0.000 2.767 ( 0.000 0.000 0.000) 0.000 2.811 ( 0.000 0.000 0.000) 0.000 2.873 ( 0.000 0.000 0.000) 0.000 2.888 ( 0.000 0.000 0.000) 0.000 2.973 ( 0.000 0.000 0.000) 0.000 2.993 ( 0.000 0.000 0.000) 0.000 3.024 ( 0.000 0.000 0.000) 0.000 3.038 ( 0.000 0.000 0.000) 0.000 3.047 ( 0.000 0.000 0.000) 0.000 3.136 ( 0.000 0.000 0.000) 0.000 3.152 ( 0.000 0.000 0.000) 0.000 3.167 ( 0.000 0.000 0.000) 0.000 3.185 ( 0.000 0.000 0.000) 0.000 3.251 ( 0.000 0.000 0.000) 0.000 3.254 ( 0.000 0.000 0.000) 0.000 3.271 ( 0.000 0.000 0.000) 0.000 3.298 ( 0.000 0.000 0.000) 0.000 3.374 ( 0.000 0.000 0.000) 0.000 3.402 ( 0.000 0.000 0.000) 0.000 3.407 ( 0.000 0.000 0.000) 0.000 3.482 ( 0.000 0.000 0.000) 0.000 3.542 ( 0.000 0.000 0.000) 0.000 3.563 ( 0.000 0.000 0.000) 0.000 3.582 ( 0.000 0.000 0.000) 0.000 3.599 ( 0.000 0.000 0.000) 0.000 3.665 ( 0.000 0.000 0.000) 0.000 3.905 ( 0.000 0.000 0.000) 0.000 4.078 ( 0.000 0.000 0.000) 0.000 4.122 ( 0.000 0.000 0.000) 0.000 4.142 ( 0.000 0.000 0.000) 0.000 4.304 ( 0.000 0.000 0.000) 0.000 4.372 ( 0.000 0.000 0.000) 0.000 4.538 ( 0.000 0.000 0.000) 0.000 4.550 ( 0.000 0.000 0.000) 0.000 4.565 ( 0.000 0.000 0.000) 0.000 4.629 ( 0.000 0.000 0.000) 0.000 4.654 ( 0.000 0.000 0.000) 0.000 5.040 ( 0.000 0.000 0.000) 0.000 5.073 ( 0.000 0.000 0.000) 0.000 5.729 ( 0.000 0.000 0.000) 0.000 5.796 ( 0.000 0.000 0.000) 0.000 5.852 ( 0.000 0.000 0.000) 0.000 5.881 ( 0.000 0.000 0.000) 0.000 5.926 ( 0.000 0.000 0.000) 0.000 6.074 ( 0.000 0.000 0.000) 0.000 6.213 ( 0.000 0.000 0.000) 0.000 6.240 ( 0.000 0.000 0.000) 0.000 6.265 ( 0.000 0.000 0.000) 0.000 6.299 ( 0.000 0.000 0.000) 0.000 6.359 ( 0.000 0.000 0.000) 0.000 6.375 ( 0.000 0.000 0.000) 0.000 6.457 ( 0.000 0.000 0.000) 0.000 6.483 ( 0.000 0.000 0.000) 0.000 6.517 ( 0.000 0.000 0.000) 0.000 6.539 ( 0.000 0.000 0.000) 0.000 6.600 ( 0.000 0.000 0.000) 0.000 6.795 ( 0.000 0.000 0.000) 0.000 6.822 ( 0.000 0.000 0.000) 0.000 6.937 ( 0.000 0.000 0.000) 0.000 6.981 ( 0.000 0.000 0.000) 0.000 7.014 ( 0.000 0.000 0.000) 0.000 7.088 ( 0.000 0.000 0.000) 0.000 7.314 ( 0.000 0.000 0.000) 0.000 7.345 ( 0.000 0.000 0.000) 0.000 7.530 ( 0.000 0.000 0.000) 0.000 7.760 ( 0.000 0.000 0.000) 0.000 7.918 ( 0.000 0.000 0.000) 0.000 8.455 ( 0.000 0.000 0.000) 0.000 8.475 ( 0.000 0.000 0.000) 0.000 8.528 ( 0.000 0.000 0.000) 0.000 8.534 ( 0.000 0.000 0.000) 0.000 8.918 ( 0.000 0.000 0.000) 0.000 8.945 ( 0.000 0.000 0.000) 0.000 8.955 ( 0.000 0.000 0.000) 0.000 8.961 ( 0.000 0.000 0.000) 0.000 9.041 ( 0.000 0.000 0.000) 0.000 9.056 ( 0.000 0.000 0.000) 0.000 9.094 ( 0.000 0.000 0.000) 0.000 9.173 ( 0.000 0.000 0.000) 0.000 9.404 ( 0.000 0.000 0.000) 0.000 9.687 ( 0.000 0.000 0.000) 0.000 9.728 ( 0.000 0.000 0.000) 0.000 9.755 ( 0.000 0.000 0.000) 0.000 9.911 ( 0.000 0.000 0.000) 0.000 9.964 ( 0.000 0.000 0.000) 0.000 9.966 ( 0.000 0.000 0.000) 0.000 10.013 ( 0.000 0.000 0.000) 0.000 10.145 ( 0.000 0.000 0.000) 0.000 10.300 ( 0.000 0.000 0.000) 0.000 10.304 ( 0.000 0.000 0.000) 0.000 10.309 ( 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: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( 33.620 0.000 0.110) 33.621 0.682 ( 26.563 0.000 19.915) 33.199 0.985 ( 40.909 0.000 21.990) 46.445 1.462 ( 11.522 0.000 -4.143) 12.244 1.519 ( 11.553 0.000 -7.460) 13.753 1.768 ( 2.080 0.000 -10.961) 11.157 1.772 ( -3.929 0.000 -11.961) 12.590 2.312 ( 1.659 0.000 5.086) 5.350 2.319 ( 3.932 0.000 8.758) 9.600 2.389 ( -2.763 0.000 0.576) 2.822 2.423 ( 3.843 0.000 0.526) 3.879 2.500 ( -2.616 0.000 -3.178) 4.117 2.563 ( 6.693 0.000 5.156) 8.449 2.609 ( -3.020 0.000 3.542) 4.654 2.660 ( -0.858 0.000 5.605) 5.670 2.698 ( -3.056 0.000 -0.713) 3.138 2.764 ( 0.080 0.000 -2.241) 2.243 2.770 ( 0.673 0.000 0.711) 0.979 2.797 ( 0.494 0.000 -3.250) 3.287 2.886 ( -5.014 0.000 4.499) 6.736 2.890 ( -0.453 0.000 4.574) 4.596 2.915 ( 5.334 0.000 5.766) 7.855 2.972 ( -1.277 0.000 -3.066) 3.321 2.999 ( -4.485 0.000 -1.711) 4.800 3.035 ( -0.209 0.000 -1.502) 1.516 3.092 ( -2.802 0.000 -0.266) 2.815 3.113 ( 2.019 0.000 -6.090) 6.416 3.130 ( 5.110 0.000 -2.710) 5.784 3.184 ( -0.222 0.000 2.157) 2.169 3.211 ( -2.205 0.000 -1.531) 2.684 3.212 ( 0.916 0.000 -2.759) 2.907 3.271 ( -0.552 0.000 -0.098) 0.560 3.298 ( 1.212 0.000 -2.786) 3.039 3.323 ( 4.478 0.000 -1.608) 4.758 3.398 ( -0.687 0.000 -0.947) 1.170 3.423 ( -1.158 0.000 3.596) 3.778 3.427 ( 1.778 0.000 1.038) 2.059 3.503 ( -4.905 0.000 1.273) 5.067 3.518 ( 0.840 0.000 1.498) 1.718 3.544 ( -0.303 0.000 0.460) 0.551 3.590 ( 1.162 0.000 0.694) 1.354 3.619 ( -0.558 0.000 5.501) 5.529 3.743 ( -0.152 0.000 2.644) 2.648 4.043 ( -1.824 0.000 -3.299) 3.769 4.078 ( 1.810 0.000 -0.845) 1.998 4.128 ( -0.665 0.000 3.069) 3.141 4.150 ( -0.004 0.000 2.032) 2.032 4.332 ( -3.142 0.000 -4.693) 5.648 4.365 ( -3.949 0.000 6.423) 7.540 4.479 ( -6.867 0.000 0.631) 6.896 4.524 ( 0.070 0.000 -1.363) 1.365 4.606 ( 0.853 0.000 5.052) 5.124 4.661 ( -1.445 0.000 3.466) 3.755 4.678 ( 0.897 0.000 5.671) 5.742 5.002 ( -2.951 0.000 -1.765) 3.439 5.068 ( -1.166 0.000 1.180) 1.659 5.752 ( 1.476 0.000 1.572) 2.156 5.813 ( 0.204 0.000 3.553) 3.559 5.847 ( -0.441 0.000 0.023) 0.442 5.892 ( 0.898 0.000 0.232) 0.927 5.950 ( 2.334 0.000 -0.256) 2.348 6.159 ( 0.118 0.000 3.836) 3.837 6.220 ( -3.258 0.000 -0.191) 3.263 6.222 ( -1.457 0.000 0.481) 1.535 6.254 ( -0.819 0.000 1.962) 2.126 6.325 ( 1.237 0.000 1.331) 1.817 6.371 ( 1.407 0.000 -0.787) 1.612 6.375 ( -0.341 0.000 0.472) 0.583 6.422 ( -1.458 0.000 -1.587) 2.155 6.512 ( -2.765 0.000 0.308) 2.782 6.538 ( 2.991 0.000 0.967) 3.143 6.546 ( 2.696 0.000 -0.751) 2.798 6.617 ( 1.355 0.000 0.945) 1.652 6.804 ( -3.191 0.000 1.886) 3.706 6.840 ( -6.594 0.000 -0.594) 6.621 6.944 ( 2.834 0.000 -17.998) 18.220 6.965 ( -0.144 0.000 -0.702) 0.717 7.062 ( -2.136 0.000 -1.493) 2.606 7.069 ( 3.721 0.000 -4.943) 6.187 7.307 ( -2.428 0.000 -10.706) 10.977 7.371 ( 1.941 0.000 0.907) 2.142 7.446 ( -2.083 0.000 -5.840) 6.200 7.757 ( -0.177 0.000 -0.427) 0.462 7.893 ( -1.636 0.000 -1.815) 2.444 8.465 ( 0.743 0.000 0.476) 0.883 8.480 ( 0.321 0.000 0.500) 0.594 8.504 ( -1.608 0.000 -1.190) 2.000 8.544 ( 0.886 0.000 -4.789) 4.871 8.901 ( -1.087 0.000 -1.136) 1.572 8.928 ( -0.544 0.000 -1.420) 1.521 8.932 ( -1.302 0.000 -1.073) 1.687 8.954 ( -0.024 0.000 -1.160) 1.160 9.052 ( -1.227 0.000 4.179) 4.355 9.065 ( -0.795 0.000 3.089) 3.189 9.104 ( -0.289 0.000 1.726) 1.750 9.181 ( -0.415 0.000 0.919) 1.008 9.399 ( 0.190 0.000 -0.399) 0.442 9.592 ( -4.686 0.000 -4.174) 6.276 9.809 ( 3.604 0.000 1.141) 3.780 9.873 ( 2.019 0.000 -0.057) 2.020 9.917 ( 0.955 0.000 -2.222) 2.418 9.954 ( -0.566 0.000 -0.654) 0.865 10.080 ( 5.159 0.000 0.835) 5.226 10.208 ( 3.484 0.000 4.797) 5.929 10.248 ( -1.830 0.000 -2.202) 2.863 10.339 ( 2.983 0.000 1.017) 3.152 10.421 ( 4.955 0.000 10.899) 11.973 10.830 ( -11.274 0.000 27.707) 29.913 ======================= Grid point 2 (3/50) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( 29.931 0.000 -1.318) 29.960 1.319 ( 23.546 0.000 18.552) 29.977 1.622 ( 5.281 0.000 -5.047) 7.305 1.649 ( 8.536 0.000 -3.378) 9.180 1.751 ( 15.899 0.000 -9.327) 18.433 1.894 ( 33.159 0.000 17.776) 37.623 1.930 ( 21.913 0.000 -13.694) 25.840 2.263 ( -10.188 0.000 2.258) 10.435 2.370 ( -3.381 0.000 5.025) 6.057 2.410 ( 1.456 0.000 -0.636) 1.589 2.464 ( 1.229 0.000 2.263) 2.575 2.486 ( 0.176 0.000 2.071) 2.079 2.533 ( -8.078 0.000 -2.489) 8.453 2.573 ( -7.846 0.000 -3.197) 8.472 2.619 ( -2.665 0.000 1.656) 3.137 2.669 ( -2.484 0.000 7.235) 7.650 2.735 ( -0.274 0.000 -6.314) 6.320 2.753 ( -0.636 0.000 -3.643) 3.698 2.796 ( -1.313 0.000 -1.765) 2.199 2.805 ( 1.815 0.000 3.600) 4.032 2.861 ( -4.943 0.000 -0.243) 4.949 2.934 ( -0.737 0.000 0.626) 0.967 2.937 ( 0.560 0.000 2.557) 2.618 3.003 ( -0.392 0.000 2.776) 2.804 3.007 ( -1.833 0.000 -11.177) 11.327 3.103 ( -1.493 0.000 1.304) 1.983 3.145 ( -2.126 0.000 -1.703) 2.724 3.146 ( 0.230 0.000 0.056) 0.237 3.223 ( 4.466 0.000 -0.690) 4.519 3.246 ( 4.476 0.000 1.003) 4.587 3.259 ( -0.161 0.000 -3.312) 3.316 3.287 ( -1.078 0.000 1.927) 2.208 3.299 ( 6.305 0.000 7.144) 9.528 3.376 ( 1.482 0.000 -2.214) 2.665 3.405 ( 3.847 0.000 1.083) 3.996 3.411 ( -2.059 0.000 6.686) 6.996 3.442 ( -2.146 0.000 4.492) 4.978 3.448 ( -2.216 0.000 4.970) 5.441 3.536 ( 3.781 0.000 -2.906) 4.769 3.584 ( 4.939 0.000 -1.969) 5.317 3.614 ( -1.172 0.000 5.176) 5.307 3.665 ( 0.052 0.000 5.510) 5.510 3.755 ( -1.540 0.000 4.168) 4.443 3.987 ( -1.281 0.000 -1.702) 2.130 4.088 ( -2.816 0.000 0.855) 2.943 4.137 ( -2.779 0.000 4.674) 5.438 4.171 ( 0.644 0.000 1.060) 1.240 4.183 ( -7.283 0.000 -2.326) 7.645 4.310 ( -4.351 0.000 1.437) 4.582 4.343 ( -5.213 0.000 -1.414) 5.402 4.536 ( 0.423 0.000 1.622) 1.676 4.610 ( -6.051 0.000 0.568) 6.077 4.658 ( -0.294 0.000 4.370) 4.380 4.733 ( 1.712 0.000 2.169) 2.763 4.933 ( -2.193 0.000 -0.229) 2.205 5.039 ( -2.358 0.000 -0.168) 2.364 5.791 ( 1.187 0.000 0.850) 1.460 5.841 ( -0.588 0.000 1.403) 1.521 5.853 ( 0.552 0.000 4.813) 4.845 5.919 ( 1.181 0.000 1.019) 1.560 6.001 ( 3.294 0.000 -1.282) 3.535 6.158 ( -3.437 0.000 1.637) 3.807 6.191 ( -0.320 0.000 3.001) 3.018 6.205 ( 0.604 0.000 -1.908) 2.001 6.248 ( 0.338 0.000 -2.383) 2.407 6.359 ( 0.916 0.000 0.987) 1.347 6.364 ( -0.090 0.000 -0.840) 0.845 6.391 ( 1.352 0.000 -1.551) 2.057 6.410 ( 0.486 0.000 0.398) 0.628 6.448 ( -3.619 0.000 0.241) 3.627 6.579 ( 0.922 0.000 -1.263) 1.563 6.607 ( 3.046 0.000 0.820) 3.155 6.663 ( 2.103 0.000 0.805) 2.252 6.690 ( -8.590 0.000 -1.068) 8.657 6.748 ( -0.745 0.000 -1.123) 1.348 6.864 ( -0.253 0.000 -6.598) 6.603 6.945 ( -1.121 0.000 -1.895) 2.202 6.981 ( -4.400 0.000 -2.743) 5.185 7.071 ( 0.474 0.000 -3.641) 3.672 7.136 ( -4.376 0.000 -8.016) 9.133 7.421 ( 2.516 0.000 -1.649) 3.009 7.424 ( 1.205 0.000 0.074) 1.207 7.749 ( -0.258 0.000 -0.118) 0.284 7.840 ( -2.047 0.000 -1.963) 2.836 8.474 ( -0.756 0.000 -0.494) 0.903 8.482 ( 0.431 0.000 0.464) 0.633 8.494 ( 0.718 0.000 0.328) 0.790 8.513 ( -0.899 0.000 -2.553) 2.706 8.872 ( -0.782 0.000 -0.941) 1.223 8.899 ( -1.429 0.000 -0.499) 1.514 8.921 ( 1.066 0.000 -1.233) 1.630 8.951 ( 0.898 0.000 -1.593) 1.828 9.062 ( -0.527 0.000 2.605) 2.658 9.068 ( -0.945 0.000 2.261) 2.450 9.091 ( -2.422 0.000 1.538) 2.869 9.145 ( -3.326 0.000 -0.293) 3.339 9.425 ( 2.116 0.000 1.019) 2.349 9.515 ( -1.246 0.000 -0.828) 1.496 9.875 ( 2.241 0.000 1.178) 2.531 9.910 ( 0.018 0.000 -1.712) 1.712 9.928 ( 2.779 0.000 1.203) 3.028 9.941 ( -0.493 0.000 -0.148) 0.515 10.153 ( 2.380 0.000 -1.912) 3.053 10.195 ( -2.227 0.000 -0.440) 2.270 10.322 ( 4.034 0.000 4.272) 5.875 10.456 ( 6.525 0.000 3.433) 7.373 10.579 ( 2.581 0.000 8.804) 9.174 10.820 ( -5.901 0.000 12.105) 13.467 ======================= Grid point 3 (4/50) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( 10.911 0.000 -1.698) 11.043 1.774 ( 17.616 0.000 -2.767) 17.831 1.849 ( 15.585 0.000 12.852) 20.201 1.867 ( 13.869 0.000 3.864) 14.397 1.979 ( 9.959 0.000 -6.513) 11.900 2.063 ( -7.368 0.000 1.384) 7.497 2.209 ( -11.727 0.000 4.349) 12.507 2.244 ( 14.418 0.000 -7.730) 16.359 2.259 ( -11.603 0.000 -5.612) 12.889 2.349 ( -9.172 0.000 -10.801) 14.170 2.374 ( -7.044 0.000 0.015) 7.044 2.424 ( 0.011 0.000 -0.965) 0.965 2.428 ( 1.946 0.000 5.841) 6.157 2.594 ( 4.397 0.000 6.877) 8.163 2.610 ( 0.359 0.000 5.670) 5.681 2.688 ( -1.437 0.000 -2.536) 2.915 2.734 ( 0.090 0.000 -1.081) 1.085 2.751 ( 1.499 0.000 -1.442) 2.080 2.785 ( -1.956 0.000 -4.294) 4.718 2.833 ( -7.731 0.000 0.064) 7.732 2.887 ( 1.537 0.000 5.092) 5.319 2.891 ( 16.603 0.000 7.133) 18.071 2.900 ( 2.059 0.000 -8.401) 8.650 2.979 ( -3.038 0.000 1.814) 3.539 2.993 ( 4.656 0.000 -0.127) 4.658 3.109 ( 1.204 0.000 -1.460) 1.893 3.128 ( -2.217 0.000 -1.934) 2.943 3.152 ( -6.310 0.000 6.133) 8.799 3.174 ( 2.181 0.000 6.118) 6.495 3.229 ( -0.217 0.000 -1.660) 1.674 3.291 ( -3.333 0.000 2.945) 4.448 3.292 ( -1.471 0.000 0.383) 1.520 3.304 ( 3.674 0.000 -4.588) 5.878 3.340 ( -2.113 0.000 -4.166) 4.671 3.418 ( -9.504 0.000 0.930) 9.549 3.439 ( -1.544 0.000 1.290) 2.012 3.480 ( 2.430 0.000 0.908) 2.594 3.572 ( 5.143 0.000 -3.878) 6.441 3.607 ( -1.088 0.000 3.128) 3.312 3.672 ( 3.952 0.000 -2.329) 4.587 3.683 ( -0.921 0.000 2.724) 2.876 3.718 ( 10.347 0.000 10.168) 14.507 3.758 ( -0.769 0.000 5.273) 5.329 3.893 ( -6.350 0.000 -2.316) 6.759 3.937 ( -4.667 0.000 -3.001) 5.549 4.113 ( -2.089 0.000 3.710) 4.258 4.178 ( 0.102 0.000 3.136) 3.137 4.186 ( 1.142 0.000 0.101) 1.147 4.253 ( -0.963 0.000 -1.308) 1.624 4.264 ( -0.929 0.000 -3.903) 4.012 4.449 ( -6.506 0.000 -1.812) 6.753 4.564 ( 0.126 0.000 0.992) 1.000 4.655 ( -1.423 0.000 1.208) 1.866 4.774 ( 1.120 0.000 0.436) 1.202 4.927 ( 0.391 0.000 2.168) 2.203 4.980 ( -2.253 0.000 -2.166) 3.126 5.811 ( 0.534 0.000 0.128) 0.549 5.844 ( -0.338 0.000 1.011) 1.066 5.906 ( 1.109 0.000 3.697) 3.860 5.939 ( 0.261 0.000 -0.234) 0.350 6.051 ( 3.057 0.000 -1.718) 3.506 6.112 ( -3.191 0.000 2.350) 3.963 6.194 ( -0.622 0.000 0.356) 0.717 6.205 ( 0.308 0.000 -0.260) 0.403 6.237 ( 0.386 0.000 -1.431) 1.482 6.366 ( 0.090 0.000 -0.622) 0.628 6.369 ( 0.525 0.000 -0.130) 0.541 6.381 ( -1.005 0.000 -0.889) 1.341 6.416 ( -0.068 0.000 0.447) 0.452 6.426 ( 0.522 0.000 -0.297) 0.600 6.513 ( -5.122 0.000 -0.949) 5.209 6.573 ( -0.079 0.000 -0.862) 0.865 6.690 ( 0.512 0.000 0.305) 0.596 6.694 ( 3.808 0.000 0.598) 3.855 6.797 ( 4.116 0.000 1.157) 4.275 6.815 ( -1.976 0.000 -2.316) 3.045 6.882 ( -2.639 0.000 -1.502) 3.037 6.887 ( -3.222 0.000 -2.191) 3.896 7.042 ( -1.413 0.000 -2.542) 2.908 7.051 ( -0.237 0.000 -1.130) 1.155 7.434 ( 0.722 0.000 -0.724) 1.023 7.462 ( 0.946 0.000 0.513) 1.076 7.748 ( 0.089 0.000 0.295) 0.309 7.795 ( -1.104 0.000 -1.001) 1.491 8.464 ( -0.226 0.000 0.286) 0.364 8.480 ( -0.636 0.000 -1.262) 1.414 8.489 ( 0.075 0.000 0.155) 0.172 8.508 ( 0.404 0.000 0.087) 0.413 8.858 ( -0.172 0.000 -0.333) 0.374 8.875 ( -0.673 0.000 -0.108) 0.682 8.945 ( 1.729 0.000 -0.628) 1.839 8.960 ( 0.849 0.000 -1.127) 1.411 9.050 ( -2.055 0.000 0.912) 2.248 9.064 ( -0.377 0.000 0.682) 0.779 9.072 ( -0.178 0.000 1.049) 1.064 9.080 ( -2.410 0.000 -0.051) 2.410 9.474 ( 1.636 0.000 0.913) 1.873 9.503 ( -0.363 0.000 0.095) 0.375 9.899 ( -0.105 0.000 -0.607) 0.616 9.914 ( 0.924 0.000 0.659) 1.135 9.932 ( -0.282 0.000 -0.061) 0.289 9.977 ( 1.225 0.000 0.439) 1.302 10.161 ( 0.069 0.000 -1.326) 1.328 10.166 ( -0.544 0.000 0.361) 0.653 10.407 ( 1.825 0.000 1.663) 2.469 10.590 ( 4.256 0.000 1.067) 4.388 10.653 ( 0.466 0.000 3.121) 3.156 10.791 ( -3.255 0.000 4.193) 5.309 ======================= Grid point 7 (5/50) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.488 ( 0.000 25.897 0.000) 25.897 0.675 ( 0.000 35.653 0.000) 35.653 0.891 ( 0.000 43.497 0.000) 43.497 0.958 ( 0.000 -20.481 0.000) 20.481 1.312 ( 0.000 -32.462 0.000) 32.462 1.737 ( 0.000 -42.372 0.000) 42.372 1.781 ( 0.000 19.952 0.000) 19.952 2.128 ( 0.000 -16.654 0.000) 16.654 2.303 ( 0.000 4.006 0.000) 4.006 2.310 ( 0.000 15.580 0.000) 15.580 2.388 ( 0.000 6.666 0.000) 6.666 2.467 ( 0.000 1.323 0.000) 1.323 2.512 ( 0.000 -3.396 0.000) 3.396 2.625 ( 0.000 -3.876 0.000) 3.876 2.670 ( 0.000 -2.463 0.000) 2.463 2.721 ( 0.000 1.415 0.000) 1.415 2.750 ( 0.000 -0.429 0.000) 0.429 2.767 ( 0.000 -12.378 0.000) 12.378 2.831 ( 0.000 7.782 0.000) 7.782 2.864 ( 0.000 5.937 0.000) 5.937 2.917 ( 0.000 3.134 0.000) 3.134 2.973 ( 0.000 -1.005 0.000) 1.005 2.974 ( 0.000 -3.237 0.000) 3.237 2.988 ( 0.000 -3.067 0.000) 3.067 3.033 ( 0.000 -1.227 0.000) 1.227 3.043 ( 0.000 -1.287 0.000) 1.287 3.110 ( 0.000 1.918 0.000) 1.918 3.187 ( 0.000 -3.665 0.000) 3.665 3.192 ( 0.000 1.544 0.000) 1.544 3.203 ( 0.000 0.160 0.000) 0.160 3.284 ( 0.000 0.692 0.000) 0.692 3.291 ( 0.000 -0.260 0.000) 0.260 3.315 ( 0.000 3.661 0.000) 3.661 3.337 ( 0.000 3.204 0.000) 3.204 3.403 ( 0.000 2.576 0.000) 2.576 3.419 ( 0.000 -0.057 0.000) 0.057 3.482 ( 0.000 1.627 0.000) 1.627 3.501 ( 0.000 19.384 0.000) 19.384 3.510 ( 0.000 -2.406 0.000) 2.406 3.563 ( 0.000 0.062 0.000) 0.062 3.569 ( 0.000 -0.440 0.000) 0.440 3.622 ( 0.000 1.945 0.000) 1.945 3.656 ( 0.000 -1.255 0.000) 1.255 3.945 ( 0.000 -20.265 0.000) 20.265 3.972 ( 0.000 6.554 0.000) 6.554 4.109 ( 0.000 -7.192 0.000) 7.192 4.160 ( 0.000 2.583 0.000) 2.583 4.236 ( 0.000 -4.949 0.000) 4.949 4.434 ( 0.000 5.647 0.000) 5.647 4.549 ( 0.000 -5.767 0.000) 5.767 4.572 ( 0.000 0.587 0.000) 0.587 4.572 ( 0.000 0.599 0.000) 0.599 4.616 ( 0.000 5.879 0.000) 5.879 4.691 ( 0.000 -1.114 0.000) 1.114 5.080 ( 0.000 0.612 0.000) 0.612 5.091 ( 0.000 -0.573 0.000) 0.573 5.763 ( 0.000 3.129 0.000) 3.129 5.824 ( 0.000 -2.851 0.000) 2.851 5.825 ( 0.000 2.678 0.000) 2.678 5.869 ( 0.000 -1.545 0.000) 1.545 6.023 ( 0.000 0.012 0.000) 0.012 6.042 ( 0.000 -2.171 0.000) 2.171 6.219 ( 0.000 0.688 0.000) 0.688 6.233 ( 0.000 -0.688 0.000) 0.688 6.304 ( 0.000 3.049 0.000) 3.049 6.347 ( 0.000 -0.471 0.000) 0.471 6.363 ( 0.000 -0.163 0.000) 0.163 6.367 ( 0.000 0.548 0.000) 0.548 6.435 ( 0.000 -1.429 0.000) 1.429 6.443 ( 0.000 -2.213 0.000) 2.213 6.590 ( 0.000 3.157 0.000) 3.157 6.617 ( 0.000 0.582 0.000) 0.582 6.785 ( 0.000 -0.335 0.000) 0.335 6.802 ( 0.000 -1.739 0.000) 1.739 6.936 ( 0.000 0.493 0.000) 0.493 6.941 ( 0.000 0.069 0.000) 0.069 6.998 ( 0.000 1.959 0.000) 1.959 7.050 ( 0.000 -3.228 0.000) 3.228 7.300 ( 0.000 -0.254 0.000) 0.254 7.307 ( 0.000 -0.623 0.000) 0.623 7.423 ( 0.000 4.949 0.000) 4.949 7.500 ( 0.000 -3.097 0.000) 3.097 7.911 ( 0.000 0.301 0.000) 0.301 7.916 ( 0.000 -0.217 0.000) 0.217 8.480 ( 0.000 0.540 0.000) 0.540 8.493 ( 0.000 -0.782 0.000) 0.782 8.531 ( 0.000 0.240 0.000) 0.240 8.534 ( 0.000 -0.051 0.000) 0.051 8.921 ( 0.000 0.379 0.000) 0.379 8.932 ( 0.000 -0.807 0.000) 0.807 8.965 ( 0.000 0.528 0.000) 0.528 8.971 ( 0.000 -0.070 0.000) 0.070 9.045 ( 0.000 0.342 0.000) 0.342 9.052 ( 0.000 -0.368 0.000) 0.368 9.152 ( 0.000 0.668 0.000) 0.668 9.166 ( 0.000 -0.729 0.000) 0.729 9.678 ( 0.000 0.045 0.000) 0.045 9.682 ( 0.000 -0.347 0.000) 0.347 9.738 ( 0.000 0.762 0.000) 0.762 9.750 ( 0.000 -0.505 0.000) 0.505 9.963 ( 0.000 0.037 0.000) 0.037 9.963 ( 0.000 -0.027 0.000) 0.027 9.979 ( 0.000 1.159 0.000) 1.159 10.002 ( 0.000 -1.088 0.000) 1.088 10.298 ( 0.000 0.093 0.000) 0.093 10.304 ( 0.000 -0.411 0.000) 0.411 10.314 ( 0.000 0.636 0.000) 0.636 10.323 ( 0.000 -0.327 0.000) 0.327 ======================= Grid point 8 (6/50) ======================= q-point: ( 0.14 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.682 ( 15.637 17.036 5.142) 23.689 0.855 ( 31.391 13.932 -7.505) 35.155 1.121 ( 11.234 -22.021 -4.331) 25.098 1.216 ( 10.565 -26.879 -11.486) 31.081 1.438 ( 27.000 34.135 23.886) 49.646 1.842 ( 8.238 17.661 -6.035) 20.401 2.074 ( 16.198 -30.565 18.113) 39.047 2.133 ( 3.092 -9.605 -5.395) 11.442 2.279 ( 0.143 11.164 -4.150) 11.911 2.351 ( 0.000 4.751 0.421) 4.770 2.390 ( -2.005 -2.885 3.587) 5.020 2.464 ( 4.517 9.057 7.142) 12.387 2.545 ( -2.280 0.983 3.472) 4.269 2.617 ( -2.104 -6.102 1.675) 6.668 2.655 ( -3.074 -8.380 0.895) 8.971 2.686 ( -4.159 -3.708 -3.161) 6.405 2.722 ( -0.203 2.410 -0.190) 2.426 2.743 ( -1.017 -5.465 1.360) 5.722 2.774 ( -2.954 1.396 -2.414) 4.062 2.858 ( -1.249 2.869 -5.009) 5.906 2.867 ( -1.639 0.641 -2.354) 2.939 2.912 ( -3.675 -1.275 -2.643) 4.703 2.949 ( -1.470 -1.540 -0.089) 2.131 2.992 ( 0.245 1.470 3.136) 3.473 3.021 ( 1.116 -4.870 -3.855) 6.311 3.034 ( -0.235 -1.956 1.675) 2.586 3.129 ( -2.836 0.637 -2.986) 4.167 3.171 ( -1.450 -2.214 -2.360) 3.546 3.188 ( 3.547 4.679 -1.389) 6.034 3.253 ( 0.141 0.068 -3.183) 3.187 3.267 ( -0.398 0.398 -0.815) 0.991 3.300 ( 1.801 -3.199 2.693) 4.554 3.330 ( -0.816 3.135 -1.630) 3.627 3.374 ( 0.681 0.052 0.160) 0.701 3.388 ( 2.697 2.639 -1.173) 3.952 3.437 ( 1.980 0.798 1.606) 2.671 3.507 ( -1.860 4.895 3.904) 6.532 3.515 ( 0.312 0.626 0.643) 0.950 3.538 ( -1.165 0.189 2.081) 2.393 3.563 ( -0.458 -2.080 1.448) 2.576 3.566 ( 4.040 14.836 1.041) 15.412 3.647 ( -0.024 3.287 5.164) 6.122 3.695 ( 1.062 -3.352 2.863) 4.535 3.909 ( 0.492 -11.574 0.674) 11.604 4.080 ( 3.261 -0.737 1.447) 3.643 4.129 ( -0.069 -2.439 0.330) 2.463 4.149 ( -0.315 2.123 3.137) 3.801 4.239 ( -0.807 -6.880 1.817) 7.162 4.398 ( -5.596 3.411 3.403) 7.384 4.450 ( -7.345 -1.508 -0.226) 7.501 4.582 ( 1.484 2.530 -1.088) 3.129 4.624 ( 0.591 1.215 3.494) 3.746 4.638 ( -0.528 -0.956 6.633) 6.723 4.679 ( -1.854 -0.636 1.685) 2.585 5.039 ( -3.617 2.033 -1.124) 4.299 5.064 ( -1.898 -0.657 0.405) 2.049 5.777 ( 0.984 2.328 0.907) 2.685 5.819 ( 0.002 -1.287 0.500) 1.381 5.843 ( 0.170 1.275 2.458) 2.774 5.877 ( 0.391 -1.535 1.181) 1.976 6.020 ( 1.250 4.029 0.151) 4.221 6.095 ( 1.625 -4.591 2.817) 5.627 6.217 ( 0.339 0.581 -1.599) 1.735 6.229 ( -0.373 -0.377 -1.422) 1.517 6.273 ( -1.277 3.285 -1.117) 3.697 6.331 ( -0.684 -2.124 -0.907) 2.408 6.373 ( 0.247 0.551 1.367) 1.494 6.382 ( 0.434 0.243 0.332) 0.598 6.418 ( -0.457 0.689 -0.309) 0.882 6.460 ( 0.332 -3.117 0.530) 3.179 6.579 ( -0.834 3.510 -0.012) 3.607 6.621 ( 0.251 -0.544 0.462) 0.757 6.689 ( -6.455 6.309 3.933) 9.846 6.769 ( -4.647 -3.156 3.123) 6.427 6.869 ( -4.197 2.507 -3.082) 5.779 6.908 ( -0.251 -1.724 -6.571) 6.798 7.000 ( 0.550 1.470 -4.483) 4.750 7.031 ( -0.818 -1.804 -2.522) 3.207 7.177 ( -3.123 7.820 -9.173) 12.452 7.279 ( -3.454 -3.155 -8.653) 9.837 7.371 ( 1.564 1.137 -1.465) 2.426 7.416 ( -1.220 -2.871 -5.114) 5.991 7.823 ( -2.207 4.579 -2.560) 5.692 7.880 ( -1.979 -1.645 -2.237) 3.410 8.474 ( -0.195 0.688 0.379) 0.809 8.482 ( -0.223 -0.050 0.507) 0.556 8.508 ( -0.714 0.609 -1.825) 2.052 8.527 ( 0.624 -1.321 -3.256) 3.569 8.904 ( -0.988 0.358 -1.201) 1.596 8.914 ( -0.868 -0.739 -1.379) 1.789 8.945 ( -0.822 0.659 -1.134) 1.548 8.953 ( -0.391 -0.187 -1.252) 1.325 9.053 ( -0.916 0.233 3.509) 3.634 9.060 ( -0.883 -0.422 3.217) 3.362 9.139 ( -0.907 2.331 0.665) 2.588 9.170 ( -0.516 -1.112 0.746) 1.435 9.458 ( -2.654 5.304 -2.872) 6.590 9.552 ( -4.462 -4.048 -4.262) 7.379 9.821 ( 3.127 1.256 0.951) 3.502 9.851 ( 2.298 -1.784 0.428) 2.940 9.934 ( 0.797 1.454 -2.351) 2.877 9.955 ( 0.173 -0.441 -1.692) 1.757 10.101 ( 5.051 2.413 2.212) 6.019 10.162 ( 3.681 -3.611 2.931) 5.931 10.282 ( 0.476 2.435 0.174) 2.487 10.323 ( 2.351 -1.683 0.633) 2.959 10.457 ( 5.097 4.230 14.582) 16.016 10.614 ( 3.071 -13.634 24.346) 28.072 ======================= Grid point 9 (7/50) ======================= q-point: ( 0.29 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( 23.562 -1.990 12.601) 26.794 1.296 ( 14.511 -14.149 2.588) 20.432 1.421 ( 29.795 6.495 -4.240) 30.788 1.580 ( 25.532 -10.326 -8.868) 28.934 1.958 ( 7.430 14.314 -7.130) 17.633 2.117 ( 13.745 12.715 4.923) 19.361 2.152 ( 15.566 12.326 7.765) 21.319 2.248 ( -0.512 -0.583 -4.449) 4.516 2.328 ( -1.339 2.693 -0.560) 3.059 2.355 ( -2.990 -0.559 3.888) 4.937 2.460 ( -1.160 -6.899 1.282) 7.113 2.514 ( -0.852 2.353 2.595) 3.605 2.533 ( -4.345 -1.537 1.789) 4.944 2.579 ( -4.133 -3.867 -3.254) 6.529 2.584 ( -0.595 -0.362 4.413) 4.468 2.639 ( -0.628 -3.109 4.100) 5.184 2.687 ( -0.075 -5.886 2.821) 6.527 2.728 ( -2.278 -6.073 -4.710) 8.016 2.760 ( 2.628 -2.516 1.700) 4.016 2.808 ( 0.350 -4.111 -2.592) 4.872 2.832 ( 0.805 1.825 0.833) 2.161 2.868 ( -0.396 -0.394 1.837) 1.920 2.900 ( -2.091 2.923 -3.550) 5.052 2.997 ( 1.739 -7.972 0.402) 8.169 3.014 ( 0.307 1.122 2.450) 2.712 3.027 ( 0.191 0.316 -0.255) 0.449 3.091 ( -0.543 -1.729 -1.318) 2.241 3.136 ( -0.867 0.092 -0.360) 0.944 3.200 ( 0.821 -1.087 -6.844) 6.979 3.240 ( -0.662 3.533 -0.618) 3.647 3.244 ( 1.272 -0.394 -3.006) 3.288 3.296 ( -2.638 2.564 1.233) 3.880 3.332 ( -1.618 -3.959 2.755) 5.087 3.347 ( -1.392 -2.010 -0.069) 2.446 3.426 ( -5.577 1.583 5.286) 7.846 3.442 ( -4.100 0.380 3.732) 5.558 3.480 ( 2.828 4.313 1.459) 5.359 3.526 ( 3.390 0.455 -2.331) 4.139 3.579 ( 3.752 -0.172 -0.930) 3.869 3.598 ( 1.220 -2.218 2.782) 3.761 3.672 ( -0.059 2.817 5.838) 6.482 3.716 ( 4.719 13.001 4.923) 14.680 3.723 ( -0.292 -0.313 5.387) 5.404 3.944 ( 1.684 -6.800 0.163) 7.007 4.096 ( -2.057 0.936 2.222) 3.169 4.124 ( -0.983 -0.881 0.543) 1.427 4.169 ( -3.104 2.025 -0.287) 3.717 4.216 ( -3.593 -0.019 0.206) 3.599 4.279 ( -4.813 -2.762 0.914) 5.624 4.292 ( -6.500 -2.065 0.636) 6.850 4.586 ( -1.762 3.282 0.558) 3.767 4.611 ( -5.526 0.153 1.397) 5.702 4.663 ( -0.243 0.374 3.705) 3.732 4.695 ( 2.058 -3.083 2.847) 4.674 4.967 ( -2.563 3.022 -0.307) 3.974 5.019 ( -2.552 -2.107 -0.310) 3.324 5.805 ( 0.905 1.295 0.842) 1.790 5.829 ( 0.120 -1.113 1.271) 1.694 5.871 ( 0.431 1.611 3.806) 4.156 5.903 ( 0.798 -1.531 2.212) 2.806 6.053 ( 1.686 4.228 -0.579) 4.589 6.122 ( -0.586 -2.991 0.917) 3.183 6.205 ( -0.819 0.672 0.625) 1.230 6.212 ( 0.408 0.312 -1.041) 1.161 6.255 ( 0.185 1.663 -2.448) 2.965 6.313 ( -0.161 -3.804 -1.415) 4.061 6.382 ( 0.168 1.202 -0.002) 1.213 6.396 ( 0.993 -0.267 -0.457) 1.125 6.417 ( 0.059 1.120 0.643) 1.293 6.441 ( -2.310 -0.977 0.416) 2.542 6.566 ( -0.790 0.957 -0.103) 1.245 6.610 ( -3.488 -3.182 -0.139) 4.724 6.663 ( 1.040 3.370 0.851) 3.628 6.712 ( -0.646 -1.485 1.330) 2.095 6.777 ( -2.154 4.236 -3.160) 5.707 6.847 ( -0.774 -2.377 -4.183) 4.873 6.954 ( -2.145 0.740 -3.198) 3.921 6.969 ( -2.820 -0.826 -3.655) 4.690 7.091 ( -0.957 1.835 -5.226) 5.621 7.124 ( -3.403 -1.336 -7.438) 8.288 7.411 ( 2.312 -0.539 -0.910) 2.542 7.414 ( 1.625 -0.756 0.034) 1.792 7.782 ( -1.021 2.787 -0.904) 3.103 7.826 ( -1.836 -1.586 -1.722) 2.975 8.475 ( -0.422 0.176 -0.415) 0.618 8.481 ( 0.219 -0.313 -0.058) 0.387 8.497 ( 0.155 0.508 -0.165) 0.556 8.508 ( -0.448 -0.529 -1.372) 1.537 8.876 ( -0.778 0.452 -0.983) 1.332 8.888 ( -0.897 -0.763 -0.875) 1.467 8.933 ( 0.624 0.843 -1.027) 1.467 8.946 ( 0.744 -0.512 -1.338) 1.614 9.061 ( -0.695 -0.042 2.540) 2.633 9.063 ( -0.998 -0.239 2.410) 2.619 9.111 ( -2.568 1.604 0.735) 3.116 9.136 ( -3.069 -0.958 -0.068) 3.216 9.446 ( 1.262 2.160 0.525) 2.556 9.492 ( -0.420 -2.252 -0.417) 2.329 9.875 ( 1.675 0.374 0.935) 1.954 9.893 ( 1.093 -1.415 0.458) 1.846 9.937 ( 1.077 1.258 -0.743) 1.815 9.952 ( 0.609 -0.013 -0.575) 0.837 10.163 ( 1.355 0.960 -1.278) 2.095 10.183 ( -0.868 -1.074 -0.524) 1.477 10.356 ( 4.140 3.221 3.729) 6.436 10.421 ( 5.329 -3.196 3.269) 7.021 10.627 ( 1.999 4.847 10.210) 11.477 10.744 ( -2.126 -6.772 11.970) 13.916 ======================= Grid point 10 (8/50) ======================= q-point: ( 0.43 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( 16.081 -2.534 5.274) 17.113 1.683 ( 17.701 -5.180 7.800) 20.025 1.886 ( 17.061 2.495 -0.333) 17.246 1.930 ( 12.344 -1.582 -4.854) 13.358 2.052 ( 8.350 9.753 -2.247) 13.034 2.107 ( -9.394 3.595 1.061) 10.115 2.172 ( -4.821 -3.182 -0.717) 5.821 2.219 ( -5.143 -5.890 -4.302) 8.925 2.298 ( -0.311 4.203 -6.256) 7.543 2.346 ( -7.084 2.382 1.242) 7.576 2.391 ( -1.959 -0.532 -0.617) 2.121 2.424 ( -5.145 -0.887 -2.868) 5.957 2.451 ( -2.585 2.212 -3.283) 4.728 2.542 ( -2.516 -6.141 0.795) 6.683 2.631 ( 0.065 5.438 6.680) 8.614 2.696 ( 3.023 0.795 -1.135) 3.326 2.701 ( 2.080 -1.143 4.882) 5.428 2.752 ( 1.597 1.539 -3.111) 3.821 2.784 ( 0.032 -2.081 -2.517) 3.266 2.817 ( 2.805 -9.150 -1.735) 9.727 2.832 ( 3.086 1.373 -0.654) 3.440 2.896 ( 2.008 -0.860 0.459) 2.232 2.924 ( -3.072 2.502 -0.417) 3.984 3.015 ( -0.130 -3.489 6.563) 7.434 3.051 ( 5.481 5.201 5.167) 9.153 3.051 ( -1.404 7.356 2.949) 8.049 3.111 ( -0.947 0.109 -3.399) 3.530 3.164 ( 1.940 -2.435 -0.210) 3.120 3.185 ( 0.928 -3.740 -1.208) 4.039 3.207 ( 0.400 -5.245 0.760) 5.315 3.247 ( 0.564 -0.518 -0.055) 0.768 3.282 ( 1.006 1.905 1.912) 2.880 3.308 ( -2.286 -0.461 3.054) 3.843 3.356 ( 1.082 -1.500 3.071) 3.585 3.384 ( -0.669 1.005 -0.250) 1.233 3.413 ( -0.895 -1.490 1.449) 2.263 3.541 ( 1.313 4.158 1.432) 4.589 3.581 ( 3.234 0.341 -2.501) 4.103 3.615 ( -0.539 0.518 1.653) 1.814 3.648 ( 2.312 -2.480 -1.099) 3.565 3.697 ( -0.108 1.339 3.685) 3.923 3.722 ( -1.228 -0.691 3.746) 4.002 3.802 ( -3.310 4.875 0.673) 5.931 3.889 ( -7.641 -2.499 -3.522) 8.777 3.973 ( -2.972 3.755 -1.810) 5.120 4.050 ( -1.986 -4.489 0.895) 4.990 4.163 ( 2.070 0.265 1.362) 2.492 4.191 ( 1.086 -1.519 -1.086) 2.160 4.247 ( -0.300 0.664 1.832) 1.972 4.267 ( -0.711 -0.670 -0.456) 1.078 4.487 ( -4.809 3.287 -0.915) 5.897 4.541 ( -2.352 -2.221 0.120) 3.237 4.687 ( 0.176 2.908 1.500) 3.277 4.744 ( 1.050 -2.805 1.115) 3.196 4.943 ( -0.328 1.486 0.903) 1.769 4.970 ( -1.649 -1.134 -1.243) 2.356 5.821 ( 0.302 0.913 0.290) 1.005 5.837 ( -0.139 -0.685 0.713) 0.999 5.914 ( 0.829 0.764 2.756) 2.978 5.930 ( 0.405 -0.837 0.829) 1.246 6.071 ( 1.277 1.818 -1.276) 2.562 6.101 ( -1.550 -1.169 0.530) 2.013 6.209 ( -0.221 0.517 1.402) 1.511 6.211 ( -0.032 0.699 -0.507) 0.864 6.243 ( 0.516 1.693 -1.269) 2.178 6.310 ( 0.555 -4.377 -0.740) 4.474 6.376 ( -0.388 0.820 -0.571) 1.072 6.389 ( -0.829 -0.272 -0.404) 0.961 6.416 ( -0.276 0.218 0.039) 0.354 6.424 ( -0.368 -0.423 -0.073) 0.565 6.520 ( -2.685 0.982 -0.529) 2.907 6.549 ( -0.436 -1.866 -0.455) 1.969 6.707 ( 1.682 2.254 0.550) 2.866 6.747 ( 1.289 1.323 1.624) 2.460 6.762 ( 1.868 0.415 -1.497) 2.430 6.827 ( 0.945 -2.463 -0.731) 2.737 6.868 ( -3.270 1.122 -1.788) 3.892 6.890 ( -2.976 -0.482 -2.557) 3.954 7.045 ( -1.128 0.278 -2.293) 2.570 7.050 ( -0.534 -0.216 -1.568) 1.670 7.434 ( 0.826 0.255 -0.304) 0.917 7.448 ( 0.947 -1.122 0.307) 1.500 7.766 ( -0.293 1.477 -0.103) 1.510 7.789 ( -0.864 -0.786 -0.725) 1.375 8.466 ( -0.266 0.194 0.007) 0.330 8.472 ( -0.400 -0.522 -0.606) 0.894 8.497 ( 0.063 0.561 -0.073) 0.569 8.505 ( 0.233 -0.291 0.005) 0.373 8.861 ( -0.254 0.310 -0.338) 0.524 8.869 ( -0.479 -0.489 -0.234) 0.723 8.950 ( 1.415 0.443 -0.665) 1.625 8.957 ( 0.999 -0.317 -0.929) 1.400 9.051 ( -1.513 0.299 0.839) 1.755 9.062 ( -1.043 -0.703 0.774) 1.477 9.074 ( -0.975 0.735 0.544) 1.337 9.083 ( -1.454 -0.091 0.329) 1.494 9.481 ( 1.146 0.674 0.709) 1.507 9.495 ( 0.145 -0.758 0.296) 0.826 9.895 ( 0.157 -0.101 -0.122) 0.223 9.901 ( 0.093 -0.702 0.159) 0.725 9.953 ( 0.554 1.396 0.103) 1.505 9.972 ( 0.915 -0.597 0.201) 1.111 10.163 ( -0.073 0.169 -0.876) 0.895 10.165 ( -0.375 -0.057 -0.013) 0.380 10.444 ( 2.034 3.695 1.541) 4.491 10.527 ( 2.825 -4.766 1.321) 5.695 10.700 ( 0.480 3.405 3.333) 4.788 10.761 ( -1.764 -2.875 3.969) 5.208 ======================= Grid point 21 (9/50) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.696 ( -7.525 0.000 32.059) 32.931 0.710 ( 8.076 0.000 32.595) 33.581 1.005 ( 1.956 0.000 45.845) 45.886 1.488 ( -8.900 0.000 11.462) 14.511 1.530 ( -12.351 0.000 8.909) 15.229 1.735 ( -8.828 0.000 -4.272) 9.807 1.798 ( -10.808 0.000 -6.751) 12.743 2.283 ( 5.576 0.000 2.158) 5.979 2.343 ( 5.898 0.000 8.348) 10.221 2.423 ( -1.950 0.000 2.059) 2.836 2.471 ( -5.244 0.000 3.018) 6.051 2.547 ( 4.399 0.000 6.274) 7.663 2.577 ( -2.355 0.000 0.870) 2.510 2.664 ( 2.828 0.000 4.488) 5.305 2.674 ( 1.140 0.000 -6.543) 6.642 2.728 ( 1.730 0.000 4.533) 4.851 2.748 ( 0.353 0.000 1.267) 1.315 2.754 ( -1.568 0.000 -4.774) 5.025 2.805 ( -1.407 0.000 -0.319) 1.443 2.876 ( 6.951 0.000 8.037) 10.626 2.881 ( 0.915 0.000 -3.015) 3.151 2.947 ( -3.920 0.000 -5.388) 6.663 2.970 ( 0.971 0.000 -1.862) 2.100 3.014 ( 2.283 0.000 2.982) 3.756 3.050 ( -0.612 0.000 0.137) 0.628 3.061 ( -3.923 0.000 0.731) 3.990 3.084 ( -0.323 0.000 0.223) 0.393 3.105 ( 1.731 0.000 -4.255) 4.594 3.201 ( 0.463 0.000 1.103) 1.196 3.208 ( -3.776 0.000 3.030) 4.841 3.218 ( -1.934 0.000 -1.413) 2.395 3.267 ( -0.934 0.000 -2.314) 2.495 3.269 ( -3.237 0.000 -1.408) 3.530 3.281 ( 3.494 0.000 4.438) 5.649 3.397 ( 0.607 0.000 -2.758) 2.824 3.412 ( 1.028 0.000 -0.002) 1.028 3.416 ( 1.752 0.000 -0.632) 1.863 3.492 ( 0.749 0.000 2.364) 2.479 3.529 ( 1.660 0.000 -1.592) 2.301 3.553 ( 0.629 0.000 0.027) 0.630 3.564 ( 1.585 0.000 0.413) 1.638 3.631 ( 4.292 0.000 1.503) 4.547 3.669 ( 4.889 0.000 -0.900) 4.971 3.925 ( 7.233 0.000 1.517) 7.390 4.063 ( -2.207 0.000 -0.852) 2.366 4.137 ( 0.796 0.000 0.019) 0.797 4.171 ( 1.811 0.000 1.564) 2.393 4.287 ( 1.042 0.000 -0.571) 1.188 4.398 ( 6.131 0.000 1.179) 6.244 4.479 ( 0.559 0.000 -4.264) 4.300 4.520 ( -1.420 0.000 -3.013) 3.331 4.599 ( 3.617 0.000 -1.124) 3.787 4.675 ( 2.028 0.000 0.182) 2.036 4.717 ( 4.461 0.000 0.788) 4.530 4.958 ( 1.084 0.000 -7.272) 7.352 5.014 ( 3.689 0.000 -5.218) 6.390 5.751 ( 1.350 0.000 1.780) 2.234 5.814 ( 3.104 0.000 1.407) 3.408 5.829 ( -0.010 0.000 -1.530) 1.530 5.890 ( -0.942 0.000 -0.743) 1.200 5.953 ( -0.892 0.000 2.003) 2.193 6.161 ( 3.021 0.000 0.633) 3.087 6.214 ( -2.137 0.000 -0.979) 2.351 6.257 ( -0.469 0.000 -0.203) 0.512 6.313 ( 2.812 0.000 0.661) 2.889 6.329 ( 0.807 0.000 1.993) 2.151 6.361 ( 0.675 0.000 -1.053) 1.251 6.374 ( -1.217 0.000 1.240) 1.738 6.472 ( -1.895 0.000 1.987) 2.746 6.499 ( -0.193 0.000 0.849) 0.871 6.506 ( 1.323 0.000 -2.828) 3.122 6.537 ( -0.903 0.000 2.032) 2.224 6.610 ( 0.516 0.000 0.302) 0.598 6.786 ( 2.668 0.000 -3.231) 4.190 6.838 ( 1.342 0.000 -5.958) 6.107 6.878 ( -10.255 0.000 -0.869) 10.291 6.964 ( 0.781 0.000 -0.739) 1.075 7.061 ( -6.566 0.000 1.526) 6.741 7.069 ( 0.185 0.000 -1.856) 1.866 7.252 ( -2.938 0.000 -6.771) 7.381 7.396 ( -3.365 0.000 2.549) 4.221 7.632 ( -11.472 0.000 -3.212) 11.913 7.723 ( 0.883 0.000 -3.081) 3.205 7.874 ( -0.378 0.000 -3.786) 3.805 8.443 ( 0.793 0.000 -0.965) 1.249 8.457 ( 1.199 0.000 -1.232) 1.719 8.499 ( -1.601 0.000 -1.576) 2.247 8.559 ( -2.847 0.000 -0.618) 2.913 8.889 ( -0.145 0.000 -1.689) 1.695 8.925 ( -0.160 0.000 -1.764) 1.771 8.955 ( -2.598 0.000 0.303) 2.616 8.984 ( -2.806 0.000 0.946) 2.961 9.126 ( 1.599 0.000 2.873) 3.288 9.162 ( -1.622 0.000 6.434) 6.635 9.183 ( 1.841 0.000 1.179) 2.186 9.261 ( -12.321 0.000 0.937) 12.356 9.423 ( -1.707 0.000 1.918) 2.568 9.615 ( -3.709 0.000 -4.366) 5.729 9.747 ( 2.751 0.000 -0.794) 2.864 9.780 ( 6.487 0.000 -1.270) 6.610 9.875 ( 1.345 0.000 -0.490) 1.431 9.961 ( -1.124 0.000 -0.279) 1.158 10.017 ( 2.540 0.000 0.215) 2.549 10.142 ( 6.004 0.000 -1.786) 6.264 10.195 ( 3.067 0.000 3.144) 4.392 10.312 ( 2.873 0.000 0.355) 2.895 10.476 ( 5.978 0.000 11.821) 13.247 10.846 ( 21.385 0.000 1.485) 21.436 ======================= Grid point 22 (10/50) ======================= q-point: ( 0.14 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( 10.446 0.000 21.264) 23.691 1.224 ( 17.786 0.000 27.607) 32.840 1.473 ( 2.321 0.000 2.766) 3.611 1.497 ( 2.190 0.000 7.699) 8.005 1.580 ( -3.528 0.000 -2.765) 4.482 1.597 ( -0.817 0.000 -1.562) 1.763 1.701 ( 23.717 0.000 34.641) 41.982 2.344 ( -1.793 0.000 -3.614) 4.035 2.377 ( 0.003 0.000 -0.329) 0.329 2.414 ( -1.152 0.000 2.046) 2.348 2.498 ( 2.265 0.000 2.119) 3.102 2.536 ( -3.131 0.000 5.634) 6.446 2.619 ( -3.557 0.000 -5.896) 6.886 2.656 ( -1.040 0.000 -3.388) 3.544 2.690 ( -0.010 0.000 -0.653) 0.653 2.692 ( -4.465 0.000 -6.650) 8.009 2.730 ( -4.460 0.000 2.690) 5.209 2.794 ( -3.788 0.000 1.450) 4.056 2.797 ( -0.529 0.000 -2.691) 2.742 2.797 ( 5.913 0.000 6.370) 8.691 2.882 ( 1.185 0.000 -3.162) 3.377 2.915 ( -2.721 0.000 -5.682) 6.300 2.980 ( -5.388 0.000 0.321) 5.397 3.008 ( -2.981 0.000 2.313) 3.773 3.038 ( -1.119 0.000 -4.828) 4.956 3.062 ( 7.085 0.000 -2.734) 7.594 3.078 ( -0.895 0.000 2.959) 3.092 3.112 ( -1.363 0.000 -3.391) 3.655 3.205 ( -1.636 0.000 4.116) 4.430 3.205 ( -0.951 0.000 1.913) 2.137 3.251 ( 5.845 0.000 -5.369) 7.937 3.279 ( 3.139 0.000 8.076) 8.664 3.282 ( 4.303 0.000 7.200) 8.388 3.325 ( 1.631 0.000 3.980) 4.301 3.372 ( -0.758 0.000 0.252) 0.799 3.459 ( 2.588 0.000 -0.940) 2.754 3.470 ( 2.901 0.000 3.221) 4.335 3.490 ( -1.730 0.000 1.192) 2.101 3.513 ( 0.641 0.000 -1.824) 1.934 3.592 ( 0.628 0.000 1.709) 1.821 3.618 ( 2.304 0.000 1.699) 2.862 3.722 ( 2.818 0.000 3.284) 4.327 3.760 ( 4.022 0.000 -0.213) 4.028 4.039 ( -0.676 0.000 2.794) 2.874 4.062 ( 4.360 0.000 -0.337) 4.373 4.140 ( 0.682 0.000 -2.883) 2.962 4.191 ( -0.520 0.000 1.357) 1.454 4.299 ( -1.365 0.000 3.167) 3.449 4.398 ( -3.601 0.000 -3.136) 4.775 4.430 ( -5.451 0.000 -3.757) 6.620 4.523 ( 3.442 0.000 0.487) 3.476 4.679 ( -1.450 0.000 -4.414) 4.646 4.689 ( 3.981 0.000 2.656) 4.786 4.771 ( 0.502 0.000 0.462) 0.682 4.919 ( 0.606 0.000 -4.247) 4.290 5.021 ( 0.879 0.000 -5.574) 5.643 5.781 ( -0.091 0.000 0.426) 0.435 5.831 ( 1.751 0.000 -0.856) 1.949 5.879 ( 1.971 0.000 -1.203) 2.309 5.889 ( 1.268 0.000 2.592) 2.886 5.965 ( 0.618 0.000 1.558) 1.676 6.175 ( -0.253 0.000 -1.068) 1.098 6.179 ( -0.225 0.000 -0.660) 0.698 6.239 ( -1.574 0.000 1.881) 2.453 6.319 ( -1.318 0.000 -1.853) 2.274 6.348 ( -1.491 0.000 0.184) 1.502 6.359 ( 0.543 0.000 0.649) 0.846 6.367 ( -0.362 0.000 0.535) 0.646 6.439 ( -1.486 0.000 2.305) 2.742 6.486 ( -1.232 0.000 -2.359) 2.661 6.543 ( 3.215 0.000 0.061) 3.216 6.557 ( 0.765 0.000 2.204) 2.333 6.636 ( 2.164 0.000 -0.299) 2.185 6.750 ( -2.933 0.000 -2.997) 4.193 6.755 ( -3.522 0.000 -4.190) 5.474 6.816 ( 0.184 0.000 -0.796) 0.817 6.966 ( -2.497 0.000 0.425) 2.533 7.001 ( 1.629 0.000 -1.634) 2.307 7.040 ( -3.009 0.000 -0.814) 3.117 7.083 ( -4.951 0.000 -9.759) 10.943 7.393 ( 0.079 0.000 2.978) 2.979 7.484 ( -4.088 0.000 3.222) 5.205 7.721 ( 1.151 0.000 -2.543) 2.792 7.829 ( -0.972 0.000 -3.839) 3.961 8.454 ( 1.216 0.000 -1.304) 1.783 8.469 ( 0.858 0.000 -1.177) 1.456 8.470 ( -0.574 0.000 -1.281) 1.404 8.512 ( -1.596 0.000 -0.805) 1.788 8.876 ( -0.238 0.000 -0.539) 0.589 8.908 ( -1.353 0.000 -0.973) 1.666 8.913 ( -0.330 0.000 -0.633) 0.714 8.942 ( -1.294 0.000 -0.746) 1.494 9.140 ( -3.296 0.000 2.919) 4.402 9.153 ( -3.917 0.000 3.697) 5.386 9.165 ( -0.787 0.000 3.777) 3.858 9.215 ( -1.127 0.000 2.692) 2.918 9.416 ( 0.202 0.000 1.999) 2.009 9.532 ( -1.991 0.000 -1.008) 2.231 9.823 ( 4.124 0.000 0.121) 4.126 9.862 ( 4.021 0.000 -1.376) 4.250 9.892 ( 0.344 0.000 -0.090) 0.355 9.948 ( -0.361 0.000 0.152) 0.392 10.073 ( 2.995 0.000 -1.222) 3.234 10.171 ( 1.131 0.000 -4.048) 4.203 10.288 ( 3.773 0.000 2.696) 4.637 10.385 ( 4.197 0.000 1.864) 4.592 10.654 ( 2.975 0.000 9.028) 9.505 10.998 ( -0.606 0.000 -0.808) 1.010 ======================= Grid point 23 (11/50) ======================= q-point: ( 0.29 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( 21.532 0.000 7.936) 22.948 1.576 ( 5.147 0.000 1.844) 5.468 1.664 ( 17.964 0.000 -5.151) 18.688 1.676 ( 10.923 0.000 2.792) 11.274 1.692 ( 9.731 0.000 4.192) 10.596 1.769 ( 16.628 0.000 21.368) 27.076 2.270 ( -5.406 0.000 3.796) 6.606 2.302 ( 1.167 0.000 -6.050) 6.162 2.348 ( 1.259 0.000 -0.454) 1.338 2.413 ( -9.479 0.000 -7.899) 12.339 2.428 ( 11.159 0.000 14.669) 18.431 2.436 ( -7.317 0.000 -6.914) 10.067 2.523 ( -1.335 0.000 -6.951) 7.078 2.540 ( -6.532 0.000 0.219) 6.536 2.620 ( 0.853 0.000 -5.931) 5.992 2.694 ( -2.114 0.000 5.328) 5.732 2.700 ( -0.242 0.000 2.851) 2.861 2.721 ( 0.720 0.000 1.131) 1.341 2.777 ( -4.546 0.000 -6.226) 7.710 2.788 ( -2.151 0.000 -4.087) 4.618 2.853 ( 1.905 0.000 6.937) 7.194 2.860 ( -0.876 0.000 -2.172) 2.342 2.935 ( -0.309 0.000 -6.969) 6.976 2.983 ( -0.030 0.000 0.558) 0.558 3.003 ( -2.113 0.000 2.891) 3.581 3.068 ( 2.250 0.000 -7.715) 8.037 3.070 ( -1.376 0.000 -2.547) 2.895 3.146 ( 4.441 0.000 -3.811) 5.851 3.179 ( -2.281 0.000 1.420) 2.687 3.240 ( -2.294 0.000 -3.903) 4.527 3.249 ( 2.433 0.000 5.194) 5.736 3.281 ( -2.576 0.000 0.115) 2.579 3.372 ( -3.287 0.000 3.361) 4.701 3.388 ( 3.537 0.000 -4.442) 5.678 3.424 ( 1.114 0.000 3.155) 3.346 3.501 ( 0.535 0.000 1.202) 1.316 3.514 ( 0.588 0.000 2.111) 2.191 3.562 ( 3.960 0.000 4.919) 6.315 3.601 ( -1.527 0.000 2.938) 3.311 3.608 ( 2.939 0.000 4.450) 5.333 3.694 ( 5.606 0.000 7.773) 9.584 3.786 ( 1.660 0.000 3.814) 4.160 3.816 ( 1.393 0.000 1.495) 2.044 4.068 ( -7.936 0.000 -1.623) 8.100 4.075 ( -1.277 0.000 7.367) 7.477 4.113 ( 1.359 0.000 -1.281) 1.868 4.194 ( 0.086 0.000 2.645) 2.646 4.239 ( -3.769 0.000 -2.543) 4.546 4.272 ( -5.987 0.000 -3.717) 7.047 4.316 ( -4.157 0.000 3.838) 5.658 4.529 ( -3.651 0.000 -6.418) 7.384 4.584 ( -1.519 0.000 -0.798) 1.716 4.732 ( -2.444 0.000 0.365) 2.471 4.787 ( 1.420 0.000 3.721) 3.982 4.923 ( 1.177 0.000 -0.496) 1.277 4.961 ( -1.504 0.000 -7.160) 7.316 5.773 ( 0.503 0.000 -2.193) 2.250 5.853 ( 0.429 0.000 -0.517) 0.672 5.893 ( 1.061 0.000 -3.852) 3.996 5.923 ( 0.463 0.000 1.071) 1.167 5.998 ( 1.566 0.000 1.265) 2.013 6.160 ( 0.252 0.000 -2.247) 2.261 6.200 ( 2.104 0.000 1.112) 2.379 6.220 ( -2.989 0.000 2.207) 3.716 6.281 ( -2.079 0.000 1.879) 2.802 6.336 ( 0.367 0.000 -0.674) 0.768 6.342 ( -0.631 0.000 -2.870) 2.939 6.364 ( -0.122 0.000 0.053) 0.133 6.445 ( -0.522 0.000 2.284) 2.343 6.446 ( -1.234 0.000 0.167) 1.245 6.577 ( 0.194 0.000 1.327) 1.341 6.584 ( -2.650 0.000 -5.868) 6.439 6.633 ( -0.160 0.000 1.096) 1.108 6.691 ( 1.313 0.000 1.538) 2.022 6.723 ( 3.150 0.000 0.135) 3.153 6.814 ( -0.121 0.000 -0.334) 0.355 6.916 ( -2.527 0.000 -0.861) 2.670 6.925 ( -3.603 0.000 -2.109) 4.175 7.022 ( 1.436 0.000 -1.286) 1.928 7.024 ( -0.278 0.000 -1.498) 1.524 7.426 ( 0.853 0.000 2.499) 2.640 7.474 ( -0.434 0.000 2.643) 2.679 7.727 ( 1.121 0.000 -1.824) 2.141 7.784 ( -0.714 0.000 -3.104) 3.185 8.457 ( 0.211 0.000 -1.150) 1.169 8.467 ( 1.344 0.000 -1.915) 2.339 8.471 ( 0.573 0.000 -1.581) 1.682 8.478 ( -1.135 0.000 -1.017) 1.524 8.873 ( -0.260 0.000 1.015) 1.048 8.898 ( 1.193 0.000 -1.163) 1.666 8.901 ( -0.942 0.000 0.792) 1.231 8.930 ( 0.692 0.000 -0.723) 1.001 9.105 ( -2.381 0.000 1.074) 2.612 9.108 ( -2.502 0.000 1.239) 2.791 9.149 ( -3.560 0.000 3.759) 5.178 9.180 ( -4.337 0.000 3.595) 5.633 9.458 ( 1.777 0.000 1.844) 2.561 9.515 ( -0.290 0.000 0.501) 0.579 9.886 ( 2.330 0.000 -0.352) 2.356 9.892 ( -0.059 0.000 -0.109) 0.124 9.921 ( 3.245 0.000 -2.010) 3.817 9.941 ( -0.543 0.000 0.210) 0.583 10.101 ( 1.628 0.000 -2.837) 3.270 10.158 ( 0.765 0.000 -2.760) 2.864 10.364 ( 2.702 0.000 -0.266) 2.716 10.482 ( 4.743 0.000 -1.158) 4.882 10.716 ( -1.437 0.000 3.577) 3.855 10.928 ( -5.346 0.000 -0.263) 5.352 ======================= Grid point 24 (12/50) ======================= q-point: ( 0.43 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( 16.903 0.000 3.578) 17.277 1.769 ( 10.724 0.000 4.951) 11.812 1.907 ( 5.758 0.000 -4.710) 7.439 1.912 ( 8.009 0.000 1.358) 8.123 2.016 ( 3.842 0.000 -4.180) 5.678 2.061 ( 10.390 0.000 0.366) 10.397 2.124 ( -2.711 0.000 3.148) 4.154 2.186 ( -6.495 0.000 -2.195) 6.856 2.255 ( -16.888 0.000 -4.725) 17.536 2.290 ( 8.219 0.000 10.296) 13.175 2.330 ( -0.152 0.000 -1.692) 1.699 2.346 ( 3.986 0.000 -6.425) 7.561 2.490 ( 2.076 0.000 -9.764) 9.982 2.508 ( -3.758 0.000 -1.016) 3.893 2.592 ( 3.392 0.000 -7.591) 8.315 2.606 ( -4.698 0.000 -6.427) 7.961 2.682 ( -0.262 0.000 -1.961) 1.978 2.755 ( -0.685 0.000 -2.777) 2.860 2.770 ( 1.479 0.000 1.300) 1.969 2.825 ( -3.153 0.000 -5.232) 6.108 2.858 ( 2.550 0.000 8.349) 8.729 2.887 ( -0.383 0.000 -9.991) 9.998 2.923 ( 0.333 0.000 1.447) 1.485 2.978 ( 1.976 0.000 -1.781) 2.660 3.042 ( -3.786 0.000 1.349) 4.019 3.063 ( 6.055 0.000 -8.447) 10.393 3.109 ( 0.813 0.000 -0.393) 0.903 3.126 ( -0.810 0.000 3.623) 3.713 3.145 ( -1.035 0.000 -4.644) 4.758 3.200 ( 2.934 0.000 -1.132) 3.145 3.256 ( -1.750 0.000 -3.207) 3.653 3.267 ( -2.530 0.000 4.167) 4.875 3.343 ( 2.367 0.000 9.042) 9.347 3.385 ( -1.986 0.000 -3.067) 3.654 3.463 ( -9.362 0.000 1.992) 9.571 3.464 ( 2.678 0.000 1.416) 3.030 3.536 ( -0.642 0.000 1.916) 2.021 3.551 ( -5.013 0.000 5.373) 7.349 3.589 ( 1.784 0.000 -4.581) 4.917 3.621 ( -0.240 0.000 0.150) 0.283 3.758 ( -2.225 0.000 0.007) 2.225 3.827 ( -3.228 0.000 0.559) 3.276 3.906 ( -3.808 0.000 3.180) 4.961 3.946 ( -16.170 0.000 2.917) 16.431 3.960 ( 6.379 0.000 9.832) 11.720 4.069 ( -4.111 0.000 -6.303) 7.525 4.179 ( -0.023 0.000 -3.841) 3.841 4.184 ( -0.183 0.000 0.207) 0.276 4.288 ( 2.616 0.000 8.942) 9.317 4.316 ( -0.883 0.000 5.291) 5.365 4.402 ( -2.161 0.000 -3.075) 3.758 4.563 ( -0.904 0.000 -1.190) 1.494 4.677 ( -2.768 0.000 0.708) 2.857 4.823 ( -1.142 0.000 3.595) 3.772 4.876 ( -0.641 0.000 -7.116) 7.145 4.954 ( 1.878 0.000 0.037) 1.879 5.768 ( 0.990 0.000 -3.252) 3.400 5.841 ( -0.638 0.000 -1.214) 1.371 5.855 ( -0.627 0.000 -6.176) 6.208 5.921 ( -0.060 0.000 -2.386) 2.386 6.035 ( 1.575 0.000 -0.203) 1.589 6.158 ( -3.427 0.000 1.173) 3.622 6.163 ( 0.676 0.000 -0.825) 1.067 6.245 ( 0.853 0.000 1.483) 1.711 6.272 ( -0.757 0.000 2.943) 3.039 6.331 ( 1.399 0.000 -2.530) 2.891 6.345 ( 1.432 0.000 -1.252) 1.902 6.374 ( 0.192 0.000 2.182) 2.191 6.421 ( -1.075 0.000 -0.556) 1.210 6.433 ( -0.780 0.000 0.588) 0.977 6.506 ( -0.976 0.000 0.928) 1.346 6.598 ( 0.246 0.000 2.492) 2.504 6.701 ( -0.355 0.000 0.702) 0.787 6.710 ( 2.497 0.000 0.729) 2.601 6.802 ( 0.295 0.000 0.866) 0.915 6.825 ( 3.619 0.000 0.693) 3.685 6.855 ( -1.623 0.000 -0.204) 1.635 6.885 ( -0.064 0.000 1.330) 1.332 7.037 ( 1.779 0.000 1.923) 2.620 7.045 ( 1.508 0.000 0.580) 1.615 7.460 ( 0.548 0.000 2.792) 2.845 7.482 ( -0.672 0.000 1.352) 1.510 7.726 ( 0.381 0.000 -2.395) 2.425 7.769 ( 1.268 0.000 -1.262) 1.790 8.453 ( 0.071 0.000 -1.043) 1.046 8.467 ( 0.963 0.000 -0.239) 0.992 8.468 ( 0.504 0.000 -1.797) 1.866 8.474 ( 1.136 0.000 -2.615) 2.851 8.881 ( -0.131 0.000 1.817) 1.822 8.891 ( -1.078 0.000 2.033) 2.301 8.932 ( 2.750 0.000 -0.602) 2.816 8.957 ( 1.802 0.000 0.692) 1.931 9.065 ( -1.591 0.000 -0.587) 1.696 9.074 ( -1.525 0.000 -0.611) 1.643 9.102 ( -3.689 0.000 3.430) 5.037 9.124 ( -4.018 0.000 3.673) 5.444 9.489 ( -0.085 0.000 0.434) 0.443 9.508 ( -0.686 0.000 0.462) 0.827 9.896 ( 0.588 0.000 0.268) 0.646 9.904 ( 0.350 0.000 -1.696) 1.732 9.936 ( -0.212 0.000 0.576) 0.614 9.951 ( 1.658 0.000 -2.705) 3.172 10.102 ( 1.401 0.000 -3.334) 3.616 10.165 ( 1.433 0.000 -1.109) 1.812 10.376 ( 0.160 0.000 -4.276) 4.279 10.525 ( 2.355 0.000 -6.603) 7.010 10.668 ( -3.951 0.000 -1.714) 4.307 10.801 ( -6.304 0.000 -2.937) 6.954 ======================= Grid point 25 (13/50) ======================= q-point: (-0.43 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( -21.168 0.000 -10.141) 23.472 1.757 ( -24.125 0.000 -8.958) 25.734 1.826 ( -6.987 0.000 6.641) 9.640 1.888 ( -9.583 0.000 3.988) 10.379 2.034 ( 8.408 0.000 2.482) 8.767 2.097 ( 7.976 0.000 2.328) 8.309 2.255 ( -3.222 0.000 7.852) 8.487 2.260 ( 9.263 0.000 -4.131) 10.143 2.333 ( -10.061 0.000 1.874) 10.234 2.333 ( 1.616 0.000 -8.506) 8.658 2.401 ( 7.130 0.000 -1.285) 7.245 2.412 ( 9.892 0.000 2.653) 10.242 2.450 ( 0.272 0.000 4.611) 4.619 2.471 ( 1.595 0.000 -3.426) 3.779 2.542 ( 0.659 0.000 -10.475) 10.496 2.632 ( -4.814 0.000 -4.522) 6.604 2.712 ( 4.360 0.000 0.786) 4.430 2.731 ( 12.432 0.000 -6.237) 13.909 2.743 ( -11.205 0.000 -1.346) 11.286 2.752 ( 0.906 0.000 0.770) 1.188 2.851 ( 5.798 0.000 -10.967) 12.405 2.864 ( 5.956 0.000 -4.229) 7.305 2.922 ( -3.394 0.000 4.905) 5.965 2.946 ( 3.917 0.000 -5.521) 6.770 3.024 ( -5.630 0.000 5.951) 8.192 3.028 ( 1.922 0.000 4.387) 4.789 3.130 ( 2.322 0.000 -2.575) 3.467 3.158 ( 0.414 0.000 -1.441) 1.499 3.159 ( 1.796 0.000 -2.897) 3.409 3.177 ( 0.404 0.000 0.392) 0.563 3.193 ( 2.315 0.000 -7.270) 7.630 3.238 ( 1.685 0.000 0.267) 1.706 3.314 ( -0.117 0.000 -8.433) 8.433 3.357 ( -2.512 0.000 -0.123) 2.515 3.416 ( -7.311 0.000 1.842) 7.539 3.463 ( -4.356 0.000 -2.823) 5.191 3.501 ( -1.873 0.000 0.163) 1.880 3.536 ( -6.097 0.000 5.370) 8.124 3.592 ( -15.869 0.000 1.263) 15.919 3.608 ( 4.145 0.000 -5.842) 7.163 3.629 ( -0.515 0.000 1.395) 1.487 3.701 ( -5.542 0.000 -0.296) 5.550 3.738 ( -4.251 0.000 1.810) 4.620 3.971 ( 2.120 0.000 -1.118) 2.397 4.001 ( 6.956 0.000 2.622) 7.433 4.078 ( -0.160 0.000 4.700) 4.703 4.155 ( 0.254 0.000 -1.974) 1.991 4.165 ( -1.879 0.000 0.733) 2.017 4.300 ( -4.096 0.000 3.984) 5.714 4.330 ( -0.934 0.000 2.024) 2.229 4.476 ( 4.722 0.000 0.543) 4.754 4.540 ( 0.702 0.000 -0.687) 0.982 4.641 ( -1.608 0.000 -0.187) 1.619 4.794 ( -3.945 0.000 1.852) 4.358 4.847 ( 2.977 0.000 -5.283) 6.064 4.983 ( 1.510 0.000 -1.831) 2.374 5.763 ( 1.188 0.000 -3.099) 3.319 5.791 ( -0.605 0.000 -5.798) 5.830 5.818 ( -0.530 0.000 -1.301) 1.405 5.898 ( 0.069 0.000 -2.926) 2.927 6.053 ( 0.229 0.000 -0.794) 0.826 6.126 ( -0.883 0.000 2.436) 2.591 6.155 ( -0.429 0.000 -1.006) 1.093 6.268 ( 0.119 0.000 2.732) 2.734 6.293 ( 0.082 0.000 2.561) 2.563 6.344 ( -0.257 0.000 -1.434) 1.457 6.354 ( 2.647 0.000 -2.442) 3.601 6.387 ( -0.573 0.000 1.961) 2.043 6.423 ( -0.487 0.000 0.314) 0.580 6.445 ( 0.666 0.000 0.857) 1.085 6.529 ( 4.006 0.000 0.784) 4.082 6.613 ( -0.793 0.000 1.596) 1.782 6.673 ( -3.316 0.000 -1.264) 3.548 6.699 ( -0.560 0.000 1.608) 1.703 6.770 ( -3.037 0.000 -1.592) 3.429 6.898 ( 4.641 0.000 4.390) 6.388 6.931 ( 3.041 0.000 1.273) 3.296 6.932 ( 3.308 0.000 2.394) 4.084 7.098 ( 2.394 0.000 3.125) 3.937 7.125 ( 4.643 0.000 4.213) 6.270 7.463 ( -2.058 0.000 0.808) 2.211 7.498 ( 0.680 0.000 4.841) 4.889 7.718 ( 0.991 0.000 -2.422) 2.617 7.805 ( 2.710 0.000 -0.204) 2.717 8.458 ( 0.991 0.000 -0.225) 1.016 8.462 ( 0.422 0.000 -2.019) 2.063 8.469 ( 0.555 0.000 -2.833) 2.887 8.503 ( 2.562 0.000 0.618) 2.635 8.888 ( -0.369 0.000 1.359) 1.408 8.902 ( 0.065 0.000 3.114) 3.115 8.976 ( -0.135 0.000 1.607) 1.612 8.984 ( 0.565 0.000 1.493) 1.597 9.037 ( -0.485 0.000 -1.435) 1.514 9.046 ( -0.586 0.000 -0.709) 0.920 9.076 ( -1.644 0.000 2.869) 3.307 9.111 ( 1.257 0.000 2.090) 2.439 9.460 ( -2.186 0.000 0.017) 2.186 9.510 ( 0.311 0.000 0.977) 1.025 9.880 ( -0.832 0.000 -2.373) 2.514 9.920 ( 1.288 0.000 0.807) 1.520 9.936 ( -0.884 0.000 -3.177) 3.297 9.944 ( 0.108 0.000 1.736) 1.739 10.119 ( 3.036 0.000 -2.857) 4.169 10.187 ( 0.872 0.000 -0.047) 0.873 10.305 ( -2.533 0.000 -7.416) 7.837 10.456 ( -2.226 0.000 -11.629) 11.840 10.550 ( -4.931 0.000 -5.868) 7.665 10.651 ( -4.951 0.000 -7.276) 8.801 ======================= Grid point 26 (14/50) ======================= q-point: (-0.29 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( -25.363 0.000 -4.370) 25.737 1.130 ( -29.661 0.000 -12.944) 32.363 1.775 ( -7.848 0.000 10.143) 12.825 1.808 ( -4.308 0.000 10.090) 10.971 1.881 ( -36.031 0.000 15.605) 39.265 2.033 ( -11.113 0.000 11.643) 16.095 2.130 ( -16.374 0.000 1.640) 16.456 2.212 ( 0.410 0.000 -5.890) 5.904 2.248 ( -2.247 0.000 -9.089) 9.363 2.308 ( 8.444 0.000 6.509) 10.661 2.423 ( 5.623 0.000 -4.456) 7.175 2.482 ( 4.793 0.000 0.585) 4.828 2.525 ( -0.199 0.000 -1.349) 1.364 2.551 ( 4.206 0.000 -0.937) 4.309 2.632 ( 5.759 0.000 -0.142) 5.761 2.642 ( 1.262 0.000 3.630) 3.843 2.728 ( 5.389 0.000 -3.432) 6.389 2.754 ( 3.642 0.000 -6.958) 7.854 2.783 ( -1.763 0.000 1.009) 2.032 2.804 ( 2.634 0.000 -2.150) 3.400 2.892 ( -3.174 0.000 3.913) 5.039 2.927 ( 3.383 0.000 3.177) 4.641 2.946 ( -1.076 0.000 4.201) 4.336 3.007 ( 3.924 0.000 -0.521) 3.959 3.041 ( -10.225 0.000 -3.989) 10.976 3.098 ( -1.832 0.000 -5.756) 6.041 3.124 ( 3.659 0.000 3.417) 5.007 3.125 ( 14.888 0.000 -8.505) 17.146 3.157 ( 2.306 0.000 -5.193) 5.681 3.195 ( 0.136 0.000 -1.429) 1.435 3.231 ( -1.986 0.000 0.398) 2.025 3.261 ( 0.922 0.000 -1.281) 1.578 3.288 ( 4.096 0.000 -9.233) 10.101 3.290 ( -1.858 0.000 0.573) 1.944 3.322 ( 6.948 0.000 -7.479) 10.208 3.342 ( 1.024 0.000 -0.438) 1.114 3.435 ( -5.960 0.000 2.371) 6.415 3.441 ( -3.532 0.000 1.151) 3.715 3.478 ( -1.085 0.000 -0.119) 1.091 3.599 ( -4.680 0.000 1.450) 4.900 3.610 ( -2.200 0.000 -1.069) 2.446 3.645 ( 1.281 0.000 -2.357) 2.683 3.664 ( -3.389 0.000 1.259) 3.615 3.965 ( 1.748 0.000 -5.576) 5.844 4.074 ( 0.490 0.000 -1.734) 1.802 4.093 ( -0.868 0.000 0.227) 0.897 4.171 ( 0.607 0.000 3.853) 3.901 4.228 ( -4.257 0.000 -1.390) 4.479 4.285 ( 8.150 0.000 4.701) 9.409 4.312 ( 1.019 0.000 -2.258) 2.478 4.490 ( 1.069 0.000 -3.443) 3.606 4.600 ( 2.513 0.000 0.624) 2.589 4.609 ( -0.599 0.000 -1.383) 1.507 4.711 ( -5.227 0.000 0.878) 5.301 4.901 ( 5.560 0.000 -4.095) 6.906 4.984 ( 1.550 0.000 -4.542) 4.799 5.751 ( -0.394 0.000 -2.413) 2.445 5.755 ( 0.760 0.000 -3.728) 3.804 5.817 ( 1.156 0.000 -0.527) 1.271 5.884 ( 0.487 0.000 -1.611) 1.683 6.020 ( -2.891 0.000 0.632) 2.960 6.134 ( -1.304 0.000 -0.736) 1.497 6.167 ( 2.687 0.000 1.558) 3.106 6.280 ( -2.179 0.000 3.897) 4.465 6.294 ( -0.717 0.000 1.375) 1.551 6.340 ( 0.849 0.000 -1.390) 1.629 6.351 ( -1.627 0.000 0.326) 1.659 6.413 ( -0.308 0.000 -0.048) 0.312 6.424 ( 3.088 0.000 -0.936) 3.227 6.449 ( -0.522 0.000 2.433) 2.489 6.590 ( -2.160 0.000 -0.414) 2.199 6.590 ( -2.038 0.000 -0.415) 2.080 6.651 ( 6.096 0.000 -3.100) 6.840 6.673 ( -3.589 0.000 1.218) 3.790 6.751 ( 2.000 0.000 -0.196) 2.010 6.971 ( 0.771 0.000 0.192) 0.795 7.002 ( 3.153 0.000 3.138) 4.448 7.031 ( 4.217 0.000 1.205) 4.385 7.163 ( 0.732 0.000 3.772) 3.842 7.256 ( 5.299 0.000 1.505) 5.509 7.430 ( -1.865 0.000 2.507) 3.125 7.590 ( 3.976 0.000 9.607) 10.397 7.726 ( 1.454 0.000 -2.350) 2.764 7.860 ( 2.829 0.000 -0.360) 2.851 8.453 ( 0.395 0.000 -2.245) 2.280 8.454 ( 0.081 0.000 -2.321) 2.323 8.487 ( 1.873 0.000 0.544) 1.951 8.571 ( 3.343 0.000 1.430) 3.636 8.895 ( 0.230 0.000 0.766) 0.800 8.932 ( 0.602 0.000 2.433) 2.506 8.970 ( -1.126 0.000 3.048) 3.249 8.999 ( -0.637 0.000 2.368) 2.452 9.037 ( 0.962 0.000 1.012) 1.397 9.054 ( 1.433 0.000 3.592) 3.867 9.085 ( 0.402 0.000 0.955) 1.037 9.159 ( 1.257 0.000 0.492) 1.350 9.429 ( -1.318 0.000 1.641) 2.105 9.557 ( 3.453 0.000 2.759) 4.420 9.844 ( -1.661 0.000 -1.621) 2.321 9.884 ( -1.264 0.000 -2.534) 2.832 9.941 ( 0.236 0.000 -0.803) 0.837 9.972 ( 0.416 0.000 4.039) 4.061 10.156 ( -1.270 0.000 -3.110) 3.359 10.178 ( 1.104 0.000 -0.702) 1.308 10.185 ( -2.923 0.000 -7.288) 7.852 10.285 ( -2.942 0.000 -18.342) 18.576 10.399 ( -5.028 0.000 -6.326) 8.080 10.492 ( -4.638 0.000 -8.025) 9.269 ======================= Grid point 27 (15/50) ======================= q-point: (-0.14 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.558 ( -19.694 0.000 11.546) 22.829 0.614 ( -19.856 0.000 15.272) 25.050 1.263 ( -41.355 0.000 30.173) 51.192 1.639 ( -14.758 0.000 11.491) 18.704 1.763 ( -17.332 0.000 13.626) 22.047 1.881 ( -3.957 0.000 -1.305) 4.167 1.992 ( -5.056 0.000 4.851) 7.007 2.188 ( 3.446 0.000 -4.932) 6.017 2.202 ( 2.775 0.000 -1.180) 3.016 2.440 ( -5.776 0.000 5.975) 8.310 2.502 ( 0.579 0.000 7.623) 7.645 2.535 ( 3.290 0.000 -2.552) 4.164 2.563 ( 3.525 0.000 0.899) 3.638 2.574 ( -3.606 0.000 3.774) 5.219 2.628 ( 4.687 0.000 3.886) 6.088 2.706 ( 2.529 0.000 -4.609) 5.257 2.723 ( 0.244 0.000 -6.958) 6.963 2.750 ( 0.589 0.000 5.121) 5.155 2.792 ( 1.219 0.000 -0.923) 1.529 2.817 ( -3.506 0.000 3.446) 4.916 2.865 ( 2.826 0.000 -0.971) 2.988 2.907 ( -0.247 0.000 3.505) 3.513 2.969 ( 0.368 0.000 -4.871) 4.884 3.048 ( 2.012 0.000 1.329) 2.412 3.058 ( 2.547 0.000 3.472) 4.306 3.079 ( 3.196 0.000 -1.125) 3.388 3.098 ( -0.311 0.000 -9.465) 9.470 3.142 ( -2.892 0.000 -3.173) 4.293 3.172 ( 1.399 0.000 0.036) 1.399 3.216 ( -2.914 0.000 1.174) 3.141 3.223 ( 0.120 0.000 0.943) 0.951 3.274 ( -2.408 0.000 1.326) 2.749 3.296 ( -0.812 0.000 -3.078) 3.183 3.341 ( 1.562 0.000 -2.244) 2.734 3.394 ( -0.201 0.000 -4.376) 4.380 3.400 ( 2.245 0.000 -1.113) 2.506 3.401 ( 10.411 0.000 -4.277) 11.256 3.408 ( 1.242 0.000 1.006) 1.598 3.480 ( 0.073 0.000 1.077) 1.079 3.545 ( 0.130 0.000 0.318) 0.344 3.575 ( -0.120 0.000 -1.173) 1.179 3.594 ( -3.076 0.000 2.383) 3.891 3.657 ( 0.201 0.000 -3.978) 3.983 3.905 ( -1.627 0.000 -8.532) 8.686 4.102 ( 2.160 0.000 0.546) 2.228 4.113 ( 1.590 0.000 0.889) 1.821 4.135 ( -2.520 0.000 -2.542) 3.579 4.255 ( 6.070 0.000 1.464) 6.244 4.273 ( 0.235 0.000 -1.748) 1.763 4.486 ( 7.565 0.000 -0.570) 7.586 4.490 ( 1.840 0.000 -4.492) 4.854 4.598 ( -0.249 0.000 -2.508) 2.520 4.638 ( 1.162 0.000 1.260) 1.714 4.641 ( -0.952 0.000 2.169) 2.368 4.961 ( 4.197 0.000 -6.090) 7.396 4.987 ( 2.932 0.000 -5.513) 6.244 5.731 ( -0.015 0.000 -0.396) 0.396 5.763 ( 1.961 0.000 -1.152) 2.275 5.833 ( 0.691 0.000 -0.787) 1.048 5.894 ( 1.026 0.000 0.031) 1.027 5.973 ( -2.639 0.000 1.707) 3.143 6.101 ( -1.071 0.000 1.604) 1.929 6.232 ( 2.755 0.000 0.540) 2.808 6.256 ( -2.433 0.000 2.014) 3.159 6.288 ( -1.677 0.000 2.953) 3.396 6.324 ( -1.450 0.000 1.162) 1.858 6.349 ( 1.207 0.000 -1.127) 1.651 6.394 ( -1.640 0.000 1.065) 1.955 6.467 ( 0.383 0.000 1.634) 1.678 6.480 ( 3.352 0.000 -2.390) 4.117 6.530 ( -3.174 0.000 0.918) 3.304 6.557 ( -1.585 0.000 0.101) 1.588 6.620 ( -2.220 0.000 1.008) 2.438 6.736 ( 5.105 0.000 -4.029) 6.503 6.804 ( 4.065 0.000 -2.398) 4.719 6.972 ( -0.421 0.000 -0.371) 0.561 7.055 ( -0.593 0.000 -2.655) 2.720 7.064 ( 0.673 0.000 -2.371) 2.465 7.159 ( -3.923 0.000 2.370) 4.583 7.302 ( 0.780 0.000 -3.307) 3.398 7.442 ( -0.553 0.000 1.552) 1.647 7.730 ( 0.983 0.000 -2.833) 2.999 7.770 ( 5.246 0.000 0.696) 5.292 7.892 ( 1.215 0.000 -2.150) 2.469 8.442 ( 0.205 0.000 -1.331) 1.347 8.448 ( 0.891 0.000 -1.970) 2.163 8.527 ( 1.230 0.000 -0.625) 1.380 8.618 ( 0.279 0.000 -2.617) 2.632 8.901 ( 0.214 0.000 -0.922) 0.947 8.944 ( -0.123 0.000 -1.129) 1.136 8.979 ( -0.905 0.000 2.624) 2.776 9.008 ( -1.083 0.000 3.513) 3.676 9.092 ( 0.151 0.000 0.547) 0.568 9.097 ( 2.016 0.000 6.424) 6.733 9.161 ( 0.129 0.000 -0.911) 0.920 9.289 ( 16.385 0.000 18.436) 24.665 9.430 ( -0.729 0.000 2.480) 2.585 9.655 ( 3.105 0.000 0.419) 3.133 9.771 ( -3.230 0.000 -2.649) 4.177 9.858 ( -10.667 0.000 -15.625) 18.919 9.897 ( -1.966 0.000 -4.646) 5.045 9.935 ( -3.136 0.000 -6.783) 7.472 9.989 ( -1.431 0.000 1.321) 1.947 10.058 ( -3.515 0.000 -0.868) 3.621 10.136 ( 1.047 0.000 0.476) 1.150 10.244 ( 4.159 0.000 -1.429) 4.398 10.325 ( 0.732 0.000 3.593) 3.667 10.457 ( 3.558 0.000 7.162) 7.997 ======================= Grid point 28 (16/50) ======================= q-point: ( 0.00 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( -1.788 16.380 17.444) 23.996 0.869 ( -16.830 13.428 27.103) 34.614 1.150 ( -11.024 -21.088 11.429) 26.398 1.213 ( -11.693 -26.830 5.095) 29.708 1.463 ( 10.637 33.904 34.711) 49.673 1.850 ( -8.785 17.462 6.437) 20.580 2.103 ( 9.211 -31.618 23.696) 40.571 2.148 ( -7.205 -10.278 1.574) 12.650 2.284 ( -6.216 17.533 -4.245) 19.080 2.347 ( 2.934 4.195 2.835) 5.852 2.441 ( 6.392 3.443 6.120) 9.496 2.455 ( 2.638 -3.372 4.156) 5.967 2.612 ( -1.926 -1.540 0.385) 2.495 2.635 ( 2.540 -5.179 -0.142) 5.771 2.671 ( -0.246 -6.086 -2.975) 6.778 2.692 ( 1.271 -0.411 -1.226) 1.813 2.716 ( 0.312 -5.256 -1.846) 5.580 2.737 ( 2.707 -3.930 -1.148) 4.908 2.797 ( -3.153 4.089 -0.084) 5.164 2.814 ( -1.134 2.788 -2.843) 4.140 2.907 ( -1.185 1.012 -2.367) 2.834 2.927 ( 0.767 -0.216 1.430) 1.638 2.948 ( -4.906 1.250 -4.092) 6.510 3.004 ( -2.273 -2.475 -2.276) 4.059 3.028 ( -2.086 -2.659 1.286) 3.617 3.050 ( -2.357 -3.504 -0.456) 4.247 3.102 ( 0.976 1.347 -3.764) 4.116 3.119 ( 1.211 -2.375 -4.270) 5.034 3.186 ( -1.014 3.261 -0.606) 3.469 3.211 ( 0.692 0.040 -1.262) 1.440 3.267 ( 0.894 0.704 2.127) 2.412 3.275 ( 0.805 0.924 1.306) 1.791 3.336 ( -0.298 4.129 0.881) 4.233 3.373 ( -0.028 0.242 -0.098) 0.263 3.397 ( -1.751 0.273 -0.070) 1.774 3.416 ( -0.337 -1.018 0.592) 1.225 3.479 ( 2.700 3.585 0.564) 4.523 3.519 ( -0.280 -1.389 0.028) 1.417 3.543 ( 2.500 3.498 0.106) 4.301 3.562 ( 2.015 0.899 0.376) 2.238 3.565 ( 3.184 6.525 1.748) 7.468 3.638 ( 4.648 -1.680 -1.020) 5.046 3.676 ( 1.996 8.418 4.517) 9.760 3.946 ( -0.251 -4.317 0.443) 4.347 4.013 ( 3.921 -4.456 3.244) 6.764 4.093 ( 2.412 -5.046 -1.244) 5.729 4.167 ( 1.430 3.538 1.126) 3.979 4.241 ( 1.756 -3.567 0.414) 3.997 4.425 ( 4.687 3.144 -1.619) 5.872 4.489 ( 0.822 -2.733 -3.332) 4.387 4.528 ( 1.476 3.401 -2.402) 4.417 4.602 ( 2.231 -2.548 0.165) 3.390 4.654 ( 4.270 0.217 0.093) 4.277 4.693 ( 2.487 -1.154 -0.605) 2.808 4.987 ( 2.134 2.122 -7.436) 8.022 5.013 ( 3.107 -0.540 -5.760) 6.566 5.776 ( 0.648 2.245 1.062) 2.567 5.814 ( -0.114 -1.175 -0.571) 1.311 5.843 ( 2.598 1.662 0.772) 3.179 5.877 ( 0.377 -1.413 -0.115) 1.468 6.001 ( 0.136 3.701 0.229) 3.710 6.079 ( 2.033 -5.191 1.554) 5.787 6.224 ( -2.319 1.105 -0.052) 2.569 6.250 ( -1.788 -1.753 1.126) 2.746 6.288 ( -0.700 2.259 0.018) 2.365 6.330 ( -0.457 -2.111 -0.785) 2.298 6.398 ( -0.675 1.723 1.065) 2.135 6.416 ( 0.823 2.138 3.079) 3.838 6.440 ( -0.908 -2.104 0.201) 2.300 6.458 ( 0.547 -1.981 1.955) 2.836 6.567 ( 0.422 3.389 -2.056) 3.986 6.610 ( 0.577 -0.760 -1.058) 1.425 6.647 ( 5.259 6.571 -6.388) 10.566 6.740 ( 4.427 -3.812 -4.716) 7.508 6.887 ( -0.805 2.482 -3.167) 4.103 6.906 ( -7.166 1.298 -3.012) 7.881 6.978 ( -0.463 2.349 -1.772) 2.978 7.030 ( -1.924 -2.588 -1.186) 3.436 7.115 ( -4.435 5.044 -3.549) 7.596 7.214 ( -3.156 -4.078 -7.133) 8.802 7.431 ( -4.406 3.867 2.177) 6.253 7.535 ( -6.967 -6.728 0.151) 9.686 7.796 ( -0.794 4.468 -5.145) 6.860 7.858 ( -0.598 -2.018 -4.483) 4.952 8.453 ( 1.037 0.586 -1.620) 2.011 8.458 ( 1.204 -0.008 -1.519) 1.939 8.514 ( -2.112 1.478 -1.171) 2.832 8.544 ( -2.579 -1.445 -0.629) 3.023 8.895 ( -0.188 0.633 -1.454) 1.597 8.911 ( -0.338 -1.024 -1.315) 1.700 8.969 ( -2.434 0.926 0.137) 2.608 8.981 ( -2.647 -0.391 0.641) 2.751 9.136 ( 1.051 1.064 2.937) 3.296 9.159 ( 0.154 -1.004 3.947) 4.075 9.186 ( -1.112 1.108 3.800) 4.111 9.222 ( -5.685 -2.597 4.388) 7.636 9.494 ( -5.093 5.335 -3.102) 8.002 9.580 ( -4.676 -3.572 -4.663) 7.508 9.753 ( 3.970 0.656 -0.470) 4.051 9.769 ( 5.787 -0.946 -0.718) 5.907 9.894 ( 1.145 1.786 -0.597) 2.204 9.933 ( 0.289 -2.245 -0.524) 2.323 10.044 ( 2.721 2.329 0.892) 3.691 10.096 ( 4.626 -3.210 0.948) 5.710 10.231 ( 3.378 2.576 0.886) 4.339 10.280 ( 3.253 -2.614 0.623) 4.219 10.535 ( 6.843 5.814 12.236) 15.177 10.690 ( 13.155 -10.979 11.226) 20.485 ======================= Grid point 29 (17/50) ======================= q-point: ( 0.14 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( 8.292 8.530 18.194) 21.738 1.074 ( 17.321 -4.687 24.429) 30.311 1.176 ( 5.410 -16.494 9.069) 19.585 1.203 ( 5.386 -14.167 11.702) 19.148 1.790 ( -0.295 16.216 1.704) 16.308 2.012 ( 0.386 14.640 0.931) 14.675 2.049 ( 14.109 18.830 22.996) 32.900 2.144 ( -1.785 2.156 -3.450) 4.443 2.392 ( -1.322 -5.378 -1.508) 5.740 2.453 ( 4.748 -8.833 9.370) 13.725 2.503 ( -2.523 -2.842 3.016) 4.852 2.540 ( -0.516 -0.658 -1.665) 1.863 2.589 ( -0.546 -1.751 0.454) 1.889 2.639 ( -0.338 -3.282 -0.629) 3.359 2.645 ( 0.918 -2.021 5.613) 6.036 2.669 ( -1.959 -0.794 -4.800) 5.245 2.692 ( -1.760 -1.738 1.436) 2.860 2.746 ( 0.189 -3.773 -2.158) 4.350 2.774 ( -2.044 0.204 0.763) 2.191 2.804 ( -1.022 -0.901 3.136) 3.419 2.838 ( -0.334 0.599 -0.343) 0.767 2.908 ( 1.143 -1.763 2.935) 3.610 2.915 ( -0.996 -5.336 -1.033) 5.526 2.953 ( -3.504 -1.769 -3.791) 5.457 2.973 ( 1.922 -3.227 -2.215) 4.360 2.991 ( -2.011 -3.553 -3.490) 5.371 3.073 ( 0.268 2.118 -2.964) 3.653 3.112 ( 0.085 0.551 -2.866) 2.919 3.167 ( 0.231 0.286 1.441) 1.487 3.204 ( -0.793 -1.844 1.519) 2.517 3.243 ( -1.655 4.588 -2.142) 5.327 3.310 ( -0.710 -1.359 -0.684) 1.679 3.337 ( 1.555 3.452 0.648) 3.841 3.366 ( -1.168 -0.239 0.899) 1.493 3.426 ( 3.271 2.270 1.736) 4.343 3.461 ( 2.830 -0.343 -0.141) 2.854 3.499 ( -1.050 0.904 -0.469) 1.463 3.517 ( 0.794 -0.285 -1.646) 1.849 3.586 ( 0.641 0.040 1.825) 1.934 3.603 ( 1.235 -1.294 2.006) 2.688 3.671 ( 4.644 9.821 5.815) 12.322 3.733 ( 4.080 -1.933 0.969) 4.618 3.761 ( 2.552 8.290 5.613) 10.332 3.961 ( 0.483 -6.533 3.037) 7.220 4.104 ( 2.797 -2.024 0.414) 3.478 4.114 ( 1.375 -1.032 -0.998) 1.988 4.197 ( 0.248 3.571 1.689) 3.958 4.269 ( 0.107 -3.097 1.901) 3.635 4.396 ( -5.226 0.447 -2.786) 5.939 4.416 ( -5.422 -1.239 -3.779) 6.724 4.574 ( 2.864 4.288 -0.379) 5.170 4.650 ( 1.062 -3.228 -2.304) 4.106 4.703 ( 1.834 1.519 0.669) 2.473 4.740 ( 1.082 -2.343 0.657) 2.663 4.957 ( 0.404 3.127 -5.059) 5.961 5.006 ( 0.548 -1.795 -5.540) 5.849 5.793 ( 0.217 1.146 0.032) 1.167 5.817 ( 1.050 -1.266 -0.511) 1.723 5.890 ( 1.549 0.706 -0.255) 1.721 5.896 ( 1.405 0.245 1.613) 2.153 6.018 ( 1.001 4.894 0.213) 4.999 6.116 ( 0.633 -5.196 -0.134) 5.236 6.189 ( -0.348 1.495 -1.182) 1.937 6.234 ( -0.178 -3.623 0.052) 3.628 6.270 ( -1.495 2.143 1.349) 2.941 6.312 ( -1.022 -2.352 0.251) 2.577 6.390 ( -0.711 1.366 0.358) 1.581 6.411 ( -2.161 -0.609 0.781) 2.377 6.448 ( 0.077 2.024 2.318) 3.078 6.480 ( -0.482 -1.235 1.810) 2.244 6.559 ( 0.601 2.602 -2.171) 3.441 6.607 ( 0.596 -1.559 -3.706) 4.065 6.658 ( 0.580 6.567 -3.545) 7.485 6.750 ( -1.387 -2.100 -6.297) 6.781 6.763 ( -3.055 1.886 -0.212) 3.596 6.801 ( -2.164 -1.552 -0.131) 2.666 6.976 ( -2.346 1.081 0.097) 2.585 6.999 ( -0.349 -0.763 -1.090) 1.375 7.030 ( -1.909 0.143 -2.987) 3.548 7.060 ( -3.276 -2.142 -8.138) 9.030 7.407 ( -0.734 1.637 3.355) 3.804 7.452 ( -2.645 -2.752 3.449) 5.144 7.760 ( 0.217 3.269 -3.264) 4.624 7.812 ( -0.691 -1.940 -3.819) 4.339 8.458 ( 0.836 0.289 -1.453) 1.701 8.463 ( 0.427 -0.244 -1.487) 1.566 8.484 ( -0.394 1.025 -0.863) 1.397 8.503 ( -1.183 -0.907 -0.771) 1.678 8.880 ( -0.423 0.426 -0.685) 0.911 8.892 ( -0.730 -0.868 -0.775) 1.373 8.929 ( -0.960 0.846 -0.761) 1.489 8.940 ( -1.198 -0.314 -0.707) 1.426 9.141 ( -3.118 0.199 3.319) 4.558 9.148 ( -3.543 -0.453 3.600) 5.071 9.180 ( -1.154 1.346 3.207) 3.664 9.205 ( -1.208 -1.063 2.783) 3.215 9.445 ( -0.392 2.797 1.210) 3.073 9.503 ( -1.453 -2.866 -0.282) 3.225 9.833 ( 3.864 0.917 -0.044) 3.972 9.852 ( 3.741 -0.968 -0.724) 3.932 9.906 ( 0.484 1.272 -0.411) 1.422 9.933 ( 0.111 -1.407 -0.353) 1.455 10.100 ( 2.575 2.471 -1.551) 3.891 10.147 ( 1.739 -2.248 -2.893) 4.056 10.311 ( 3.839 2.226 2.091) 4.906 10.358 ( 4.140 -2.450 1.844) 5.152 10.721 ( 2.794 6.861 8.422) 11.217 10.887 ( 1.403 -9.726 4.260) 10.711 ======================= Grid point 30 (18/50) ======================= q-point: ( 0.29 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( 19.772 3.520 7.278) 21.361 1.449 ( 14.160 -6.103 7.508) 17.149 1.541 ( 19.005 -1.904 8.458) 20.889 1.627 ( 19.567 -9.675 19.892) 29.532 1.859 ( 6.905 11.569 -1.388) 13.544 1.959 ( 3.936 14.411 -6.047) 16.116 2.116 ( 3.501 -8.199 -4.934) 10.189 2.296 ( -2.807 -9.353 -7.173) 12.117 2.350 ( -9.488 -0.654 -3.591) 10.166 2.389 ( -9.551 -3.866 -5.620) 11.737 2.465 ( -3.601 1.914 -3.765) 5.550 2.501 ( -2.734 0.223 -1.752) 3.255 2.540 ( -2.948 9.595 1.164) 10.105 2.601 ( 3.074 6.533 7.528) 10.430 2.636 ( 0.228 2.145 -4.049) 4.587 2.681 ( -3.338 -0.693 -0.347) 3.427 2.694 ( -2.122 -1.192 -2.265) 3.325 2.710 ( 3.017 0.053 6.604) 7.261 2.744 ( -1.569 -1.304 0.097) 2.043 2.790 ( -0.219 -1.667 3.811) 4.165 2.824 ( -1.081 -0.829 -1.111) 1.758 2.861 ( -0.786 -4.382 -3.638) 5.749 2.924 ( 2.947 1.030 -4.241) 5.267 2.982 ( 1.510 2.150 1.538) 3.045 3.024 ( 3.446 -3.493 3.185) 5.850 3.049 ( 1.291 4.516 0.155) 4.699 3.087 ( 4.364 -5.936 -0.842) 7.415 3.121 ( 0.246 -0.393 4.122) 4.148 3.164 ( -0.113 1.226 -3.603) 3.808 3.210 ( -0.720 -3.349 1.403) 3.702 3.247 ( 2.401 -1.228 3.882) 4.726 3.289 ( 0.598 -1.474 0.495) 1.667 3.350 ( -1.125 2.502 1.474) 3.114 3.367 ( 0.703 -0.817 -1.254) 1.654 3.432 ( -1.715 1.517 -2.858) 3.662 3.469 ( -1.601 -1.834 0.718) 2.538 3.526 ( 2.055 -0.113 0.920) 2.255 3.531 ( 1.904 -0.109 2.126) 2.856 3.600 ( -0.479 1.329 2.585) 2.945 3.633 ( 0.348 -0.897 1.085) 1.450 3.767 ( 1.433 1.780 2.312) 3.251 3.796 ( 1.054 -1.311 2.235) 2.797 3.867 ( 2.397 8.581 6.391) 10.964 4.000 ( -0.304 -5.110 3.257) 6.067 4.103 ( -3.801 1.243 -2.430) 4.680 4.125 ( -4.094 -0.094 -0.143) 4.098 4.193 ( -2.269 0.776 4.352) 4.969 4.242 ( -7.654 -3.080 -0.874) 8.296 4.254 ( -1.388 1.605 -0.594) 2.203 4.289 ( -0.949 -1.848 1.652) 2.654 4.561 ( -3.797 2.459 -5.410) 7.052 4.589 ( -2.097 -0.168 -2.048) 2.936 4.736 ( -1.123 0.777 1.488) 2.019 4.765 ( 0.953 -1.935 3.382) 4.011 4.937 ( 0.392 1.199 -2.102) 2.451 4.955 ( -0.921 -0.636 -5.378) 5.494 5.791 ( 0.554 1.735 -2.069) 2.756 5.828 ( 0.606 -2.008 -1.556) 2.612 5.907 ( 0.501 0.927 -2.287) 2.518 5.919 ( 0.367 -0.376 -0.204) 0.564 6.038 ( 1.015 3.747 0.465) 3.909 6.115 ( -0.024 -4.073 -0.281) 4.083 6.198 ( 1.775 1.353 -1.061) 2.471 6.235 ( -0.103 -1.397 0.524) 1.496 6.269 ( -0.190 0.523 2.534) 2.594 6.298 ( -1.093 -2.183 1.710) 2.980 6.363 ( -1.745 1.081 -1.954) 2.833 6.373 ( -0.832 0.120 -0.864) 1.205 6.458 ( -1.434 1.037 0.985) 2.025 6.460 ( -1.768 0.888 1.927) 2.762 6.552 ( 0.111 -1.092 -0.977) 1.470 6.560 ( -2.754 -1.843 -3.967) 5.169 6.670 ( 1.730 2.814 1.042) 3.464 6.711 ( 2.282 -1.424 0.221) 2.699 6.740 ( 0.677 3.916 0.336) 3.988 6.800 ( 0.899 -1.923 -0.319) 2.147 6.914 ( -2.929 -0.134 -1.029) 3.107 6.916 ( -3.822 -0.516 -1.416) 4.109 7.019 ( 0.879 -0.043 -1.607) 1.832 7.022 ( 0.766 -0.265 -1.561) 1.759 7.433 ( 0.529 0.828 2.673) 2.848 7.457 ( -0.086 -1.506 2.730) 3.119 7.747 ( 0.546 1.735 -2.311) 2.941 7.775 ( -0.335 -1.053 -2.927) 3.129 8.458 ( 0.287 0.164 -1.142) 1.189 8.463 ( 0.618 -0.345 -1.338) 1.514 8.475 ( 0.346 0.312 -1.633) 1.698 8.479 ( -0.303 -0.074 -1.497) 1.529 8.873 ( -0.138 0.110 0.468) 0.500 8.881 ( -0.006 -0.768 -0.103) 0.775 8.919 ( 0.253 0.848 -0.093) 0.890 8.929 ( 0.504 -0.217 -0.364) 0.659 9.106 ( -2.401 0.076 1.198) 2.684 9.108 ( -2.453 -0.086 1.300) 2.778 9.158 ( -3.715 0.811 3.605) 5.240 9.173 ( -4.104 -0.673 3.537) 5.459 9.472 ( 1.254 1.331 1.519) 2.377 9.500 ( 0.223 -1.430 0.845) 1.675 9.888 ( 1.498 0.322 0.138) 1.538 9.894 ( 0.723 -0.078 -0.257) 0.771 9.921 ( 2.359 0.281 -1.483) 2.801 9.933 ( 0.524 -0.738 -0.824) 1.224 10.118 ( 1.298 1.528 -2.768) 3.418 10.146 ( 0.919 -1.257 -2.750) 3.160 10.390 ( 3.075 2.630 -0.485) 4.076 10.448 ( 4.001 -3.096 -0.881) 5.135 10.769 ( -1.933 5.013 2.917) 6.113 10.873 ( -3.946 -5.244 1.081) 6.651 ======================= Grid point 31 (19/50) ======================= q-point: ( 0.43 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( 9.095 -0.099 3.322) 9.683 1.766 ( 14.369 -0.297 3.356) 14.759 1.884 ( 5.814 -0.053 0.611) 5.847 1.929 ( -2.929 -4.817 -1.763) 5.906 2.020 ( 0.040 6.929 -4.091) 8.047 2.090 ( 15.645 3.039 -4.268) 16.499 2.147 ( 0.533 -0.583 2.756) 2.867 2.179 ( 3.001 0.034 2.667) 4.015 2.227 ( 10.961 -3.229 3.659) 11.998 2.317 ( 1.437 -1.083 -5.372) 5.666 2.329 ( -4.173 -0.681 -5.449) 6.897 2.362 ( -2.720 -0.683 -2.754) 3.930 2.461 ( -3.885 2.779 0.672) 4.823 2.522 ( -2.685 3.991 -6.461) 8.055 2.552 ( -6.371 -2.667 -0.868) 6.961 2.606 ( -1.433 0.059 -6.183) 6.347 2.650 ( 0.461 -2.489 -4.700) 5.338 2.729 ( 0.498 -4.689 -0.984) 4.817 2.809 ( 1.804 0.958 -3.071) 3.688 2.824 ( 0.260 1.077 2.961) 3.161 2.833 ( 0.258 -1.869 -3.491) 3.968 2.852 ( 1.916 -3.783 -0.424) 4.262 2.960 ( -1.377 5.553 2.347) 6.184 2.976 ( -0.471 2.580 -4.208) 4.959 3.047 ( 0.340 -1.929 -3.803) 4.278 3.084 ( 0.725 -0.126 -4.328) 4.390 3.110 ( 0.836 0.989 -0.482) 1.382 3.153 ( 0.706 2.029 -0.666) 2.249 3.184 ( 0.753 0.087 0.196) 0.783 3.195 ( -1.348 0.533 -1.819) 2.326 3.270 ( -2.281 2.468 -1.427) 3.651 3.313 ( -2.616 -1.653 2.019) 3.695 3.319 ( 0.508 2.306 4.918) 5.456 3.356 ( -5.009 -2.343 -0.720) 5.577 3.385 ( 0.933 -0.208 -1.802) 2.039 3.477 ( -1.342 -4.362 1.736) 4.882 3.554 ( 0.415 0.066 0.513) 0.663 3.564 ( 0.022 -0.061 0.020) 0.068 3.596 ( -3.643 3.840 1.550) 5.515 3.633 ( -1.145 0.187 1.241) 1.699 3.768 ( -2.248 1.517 0.712) 2.804 3.810 ( -3.543 -1.960 0.473) 4.076 3.850 ( -6.518 -1.461 3.704) 7.638 3.886 ( -3.723 -4.812 4.781) 7.738 4.029 ( -0.568 3.838 4.110) 5.652 4.071 ( -1.052 -0.673 2.368) 2.677 4.188 ( 0.341 0.853 -1.338) 1.623 4.195 ( -0.091 0.552 -3.649) 3.692 4.281 ( -1.773 -0.201 7.688) 7.892 4.297 ( -1.356 -1.302 4.552) 4.925 4.457 ( -1.573 4.247 -2.342) 5.099 4.529 ( -1.475 -3.222 -1.782) 3.966 4.708 ( -2.183 3.187 0.158) 3.866 4.780 ( -1.862 -3.849 1.527) 4.540 4.906 ( 0.139 2.402 -4.046) 4.708 4.943 ( 1.306 -1.314 -0.852) 2.040 5.783 ( 0.768 1.534 -3.113) 3.554 5.816 ( 0.084 -1.826 -2.793) 3.338 5.876 ( -0.714 1.460 -4.323) 4.618 5.904 ( -0.310 -1.454 -3.225) 3.551 6.062 ( 1.003 2.470 0.277) 2.681 6.112 ( -0.519 -2.655 0.455) 2.744 6.210 ( -0.275 2.705 -0.070) 2.720 6.245 ( 0.121 -0.574 1.262) 1.392 6.278 ( -0.669 0.840 2.216) 2.462 6.309 ( 0.995 -2.299 0.995) 2.695 6.341 ( 1.072 0.403 -2.336) 2.602 6.359 ( 0.196 -1.302 0.163) 1.327 6.430 ( -1.118 0.469 0.347) 1.261 6.433 ( -0.893 0.009 0.648) 1.104 6.521 ( -0.380 1.671 1.116) 2.045 6.564 ( 0.190 -2.680 1.852) 3.263 6.711 ( 0.565 1.695 -0.140) 1.792 6.740 ( 0.491 -0.269 -0.728) 0.918 6.797 ( 1.869 2.123 3.073) 4.176 6.847 ( 1.229 1.113 -0.127) 1.663 6.855 ( 1.203 -1.804 2.226) 3.107 6.858 ( -1.377 -1.083 -0.422) 1.802 7.040 ( 1.871 0.266 1.610) 2.482 7.045 ( 1.672 -0.162 1.048) 1.980 7.460 ( 0.117 0.184 2.430) 2.440 7.471 ( -0.463 -0.915 1.712) 1.996 7.741 ( 0.666 1.302 -2.161) 2.609 7.762 ( 1.095 -0.780 -1.607) 2.095 8.455 ( 0.203 0.210 -0.845) 0.894 8.461 ( 0.475 -0.382 -0.621) 0.870 8.472 ( 0.881 0.223 -1.864) 2.073 8.475 ( 1.038 -0.039 -2.338) 2.558 8.880 ( -0.056 0.003 1.576) 1.577 8.884 ( -0.333 -0.485 1.551) 1.659 8.942 ( 1.984 0.790 0.181) 2.143 8.953 ( 1.700 -0.398 0.702) 1.882 9.069 ( -1.515 0.276 -0.494) 1.617 9.073 ( -1.501 -0.140 -0.521) 1.595 9.108 ( -3.768 0.580 3.372) 5.090 9.119 ( -3.921 -0.471 3.503) 5.279 9.493 ( -0.227 0.444 0.443) 0.667 9.503 ( -0.522 -0.527 0.460) 0.873 9.896 ( 0.207 0.025 0.080) 0.223 9.900 ( -0.063 -0.341 -0.690) 0.773 9.941 ( 0.777 0.444 -0.888) 1.260 9.948 ( 1.531 -0.311 -2.262) 2.749 10.119 ( 1.379 1.624 -2.733) 3.465 10.151 ( 1.410 -1.453 -1.651) 2.613 10.407 ( 0.480 3.134 -4.651) 5.629 10.478 ( 1.377 -3.997 -5.618) 7.031 10.709 ( -4.134 3.474 -2.297) 5.868 10.772 ( -5.507 -2.857 -2.706) 6.768 ======================= Grid point 32 (20/50) ======================= q-point: (-0.43 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( -21.822 -0.925 -6.217) 22.709 1.599 ( -16.078 -10.819 1.067) 19.409 1.939 ( -20.206 11.978 -3.070) 23.689 2.026 ( 2.322 2.413 1.308) 3.595 2.065 ( 7.225 1.279 -1.465) 7.482 2.103 ( -0.411 0.278 4.863) 4.888 2.200 ( -4.742 -3.997 0.911) 6.268 2.239 ( 6.419 -4.311 -1.482) 7.873 2.324 ( 2.766 3.973 -0.826) 4.911 2.350 ( 7.808 -0.278 -0.453) 7.826 2.387 ( 1.548 1.992 -3.939) 4.678 2.447 ( 5.711 -1.220 -2.324) 6.286 2.479 ( -0.051 3.935 -2.709) 4.778 2.511 ( 3.068 4.875 1.527) 5.959 2.560 ( 3.922 -2.049 -2.675) 5.171 2.602 ( 5.205 -3.247 -2.832) 6.757 2.657 ( -4.700 -0.632 0.144) 4.744 2.706 ( 4.154 -0.776 -0.350) 4.240 2.787 ( -0.787 1.115 -2.912) 3.216 2.811 ( 6.142 -0.661 -4.187) 7.463 2.823 ( -4.295 1.061 -3.203) 5.462 2.847 ( 0.311 -1.195 -1.534) 1.969 2.906 ( -2.383 1.821 -1.340) 3.285 2.964 ( -1.279 0.731 6.782) 6.940 3.024 ( 1.055 -4.210 -1.675) 4.652 3.038 ( -5.077 -2.909 -5.042) 7.724 3.060 ( 1.334 3.284 -1.108) 3.713 3.143 ( 3.595 -1.719 -5.656) 6.919 3.177 ( -7.664 -3.543 -2.715) 8.869 3.186 ( 0.624 1.143 -1.901) 2.304 3.207 ( -1.670 -1.369 -1.064) 2.407 3.228 ( 2.381 -2.843 -6.758) 7.709 3.258 ( -0.016 0.999 1.287) 1.629 3.275 ( -0.953 -0.771 -1.568) 1.991 3.377 ( -1.262 0.872 -1.575) 2.198 3.435 ( -3.341 -4.229 1.376) 5.562 3.524 ( -2.811 0.858 1.372) 3.244 3.540 ( -2.173 3.331 -1.219) 4.159 3.560 ( 0.949 -2.809 -3.026) 4.236 3.601 ( -1.760 -2.864 0.457) 3.393 3.698 ( -4.218 2.703 -0.764) 5.067 3.732 ( -4.118 -0.945 1.302) 4.421 3.844 ( -4.620 11.022 4.677) 12.834 3.962 ( 2.109 -2.229 2.000) 3.663 4.054 ( 2.723 5.269 2.426) 6.408 4.107 ( 1.593 1.643 5.922) 6.349 4.153 ( -0.133 0.480 -3.744) 3.777 4.176 ( -0.766 1.230 -0.530) 1.543 4.250 ( -3.119 -3.910 2.627) 5.649 4.271 ( -5.261 -5.887 3.281) 8.550 4.492 ( 3.976 2.041 -0.955) 4.570 4.531 ( 2.400 -1.374 -0.917) 2.914 4.664 ( -2.175 2.478 -0.425) 3.324 4.732 ( -2.717 -4.461 -0.437) 5.241 4.899 ( 1.778 3.882 -2.895) 5.159 4.962 ( 1.490 -2.409 -1.824) 3.369 5.776 ( 0.995 1.124 -3.069) 3.416 5.792 ( 0.123 -0.327 -3.764) 3.780 5.830 ( -0.489 1.510 -3.065) 3.451 5.870 ( -0.211 -2.367 -3.540) 4.264 6.074 ( -0.130 1.749 -0.299) 1.779 6.106 ( -0.308 -1.528 0.483) 1.632 6.200 ( -0.247 3.754 0.505) 3.796 6.258 ( 0.092 -1.630 1.819) 2.444 6.294 ( 0.126 0.462 2.609) 2.653 6.318 ( -0.202 -2.031 0.501) 2.101 6.367 ( 2.680 1.112 -1.475) 3.255 6.384 ( 1.126 -0.499 0.762) 1.448 6.425 ( -0.505 0.217 0.270) 0.613 6.435 ( 0.002 -0.792 0.795) 1.122 6.537 ( 1.676 1.127 1.256) 2.378 6.575 ( -0.603 -2.775 1.663) 3.291 6.687 ( -2.314 1.833 -1.181) 3.180 6.719 ( -1.418 -0.733 -0.978) 1.872 6.782 ( -0.975 2.820 -0.066) 2.984 6.856 ( 1.138 -4.418 0.762) 4.625 6.933 ( 4.821 2.458 3.838) 6.634 6.960 ( 3.917 0.011 3.372) 5.168 7.108 ( 3.020 0.888 3.408) 4.640 7.122 ( 4.210 -0.459 3.962) 5.799 7.462 ( -1.635 0.169 1.650) 2.329 7.478 ( -0.315 -1.449 3.620) 3.912 7.748 ( 1.717 2.506 -1.704) 3.483 7.789 ( 2.490 -1.639 -0.684) 3.059 8.458 ( 0.650 0.142 -1.323) 1.481 8.462 ( 0.539 -0.188 -1.822) 1.909 8.476 ( 1.122 0.800 -1.378) 1.949 8.494 ( 2.059 -0.884 0.047) 2.241 8.890 ( -0.122 0.318 1.661) 1.695 8.898 ( 0.105 -0.386 2.578) 2.609 8.977 ( -0.142 0.161 1.619) 1.633 8.982 ( 0.060 -0.250 1.700) 1.719 9.043 ( -0.696 0.372 -0.842) 1.154 9.046 ( -0.722 -0.019 -0.451) 0.851 9.085 ( -0.479 0.966 2.282) 2.524 9.104 ( 0.917 -0.791 2.001) 2.339 9.472 ( -1.561 1.211 0.273) 1.995 9.497 ( -0.300 -1.266 0.762) 1.507 9.882 ( -0.763 0.326 -1.768) 1.953 9.897 ( -0.263 -1.297 -1.011) 1.665 9.950 ( 0.571 0.515 -0.065) 0.772 9.951 ( 0.610 0.452 -0.289) 0.813 10.136 ( 2.320 1.662 -2.146) 3.570 10.170 ( 1.273 -1.643 -0.771) 2.216 10.336 ( -2.431 3.175 -8.201) 9.124 10.408 ( -2.201 -4.056 -9.977) 10.993 10.582 ( -5.273 2.579 -6.692) 8.902 10.629 ( -5.262 -2.137 -7.040) 9.045 ======================= Grid point 33 (21/50) ======================= q-point: (-0.29 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( -20.564 10.129 2.829) 23.097 1.382 ( -9.200 -22.155 9.509) 25.805 1.451 ( -24.009 20.407 -7.296) 32.343 1.783 ( -21.203 -14.422 4.460) 26.028 1.971 ( -30.520 10.322 10.873) 34.003 2.111 ( -1.282 -1.068 -2.633) 3.117 2.134 ( -6.248 10.296 6.875) 13.867 2.282 ( 4.420 -2.852 1.521) 5.476 2.337 ( -3.819 -1.734 -3.894) 5.723 2.377 ( 0.706 3.176 -0.647) 3.317 2.404 ( -7.585 -8.149 0.904) 11.169 2.417 ( -0.025 -1.910 -1.587) 2.484 2.486 ( -5.290 11.648 0.615) 12.808 2.501 ( 4.482 -1.354 -1.141) 4.819 2.595 ( 3.722 -7.496 -0.404) 8.379 2.629 ( 3.208 -1.855 -1.046) 3.851 2.650 ( 4.541 -1.164 2.009) 5.101 2.709 ( -1.063 -1.631 -1.249) 2.313 2.798 ( 3.339 0.680 -1.607) 3.768 2.823 ( 4.077 -0.536 -1.802) 4.489 2.843 ( 1.154 -4.708 -2.589) 5.495 2.857 ( -0.824 -5.363 -0.952) 5.509 2.944 ( 1.611 3.311 5.439) 6.569 2.986 ( 1.554 -1.320 0.726) 2.164 3.024 ( -0.632 3.995 3.742) 5.510 3.062 ( 3.235 -2.170 -1.746) 4.269 3.084 ( 4.078 -3.080 0.334) 5.121 3.130 ( 4.243 -3.221 -5.812) 7.884 3.208 ( 4.874 2.248 -4.754) 7.170 3.220 ( 4.606 3.653 -4.255) 7.257 3.231 ( 4.601 -0.223 -2.756) 5.368 3.263 ( 3.023 -0.041 -1.429) 3.344 3.283 ( 3.080 0.731 -1.395) 3.459 3.304 ( 7.910 0.354 -6.235) 10.078 3.347 ( 0.236 -0.974 -3.197) 3.350 3.377 ( -1.459 -2.827 -1.469) 3.504 3.474 ( -3.023 5.034 -1.951) 6.188 3.484 ( -2.180 2.684 -0.262) 3.468 3.554 ( -1.694 -0.682 -1.090) 2.126 3.559 ( -2.576 -4.052 0.722) 4.856 3.631 ( -0.659 3.460 -1.230) 3.731 3.660 ( -4.347 -0.266 2.344) 4.945 3.718 ( -8.893 15.551 3.830) 18.319 3.955 ( -1.623 -3.319 -0.324) 3.708 4.066 ( -0.371 -0.940 -4.343) 4.459 4.103 ( -1.573 0.148 -3.542) 3.879 4.148 ( -4.472 -3.563 6.213) 8.444 4.206 ( -1.271 -6.339 -0.257) 6.470 4.238 ( 2.991 2.225 -3.001) 4.786 4.282 ( 8.564 -1.500 1.091) 8.763 4.528 ( 2.039 2.091 -3.699) 4.713 4.564 ( 0.908 -2.375 -2.586) 3.627 4.625 ( -1.207 2.884 0.451) 3.159 4.691 ( -1.895 -2.826 1.218) 3.614 4.928 ( 3.994 2.656 -4.174) 6.358 4.973 ( 2.323 -1.557 -4.197) 5.043 5.769 ( 0.726 1.844 -2.691) 3.342 5.774 ( 0.742 1.453 -2.375) 2.882 5.818 ( 0.613 -0.072 -1.010) 1.183 5.849 ( 0.498 -3.014 -2.212) 3.772 6.049 ( -1.983 2.523 -0.060) 3.210 6.097 ( -1.108 -2.482 -0.400) 2.748 6.225 ( 1.925 3.896 1.449) 4.581 6.275 ( -0.293 -1.166 2.540) 2.811 6.298 ( -1.533 0.831 1.823) 2.523 6.323 ( 0.091 -1.532 0.334) 1.571 6.381 ( -0.602 2.604 0.390) 2.701 6.415 ( -0.199 0.193 0.219) 0.353 6.423 ( 1.987 -0.321 -0.982) 2.239 6.431 ( -0.581 -1.871 1.628) 2.548 6.569 ( -0.082 0.273 0.411) 0.500 6.602 ( 2.922 -2.759 -0.623) 4.067 6.633 ( -1.352 2.307 -1.437) 3.036 6.671 ( -1.737 -1.377 -1.509) 2.681 6.803 ( 2.629 4.500 -0.221) 5.217 6.896 ( 2.267 -5.213 0.136) 5.687 7.039 ( 2.313 1.316 2.693) 3.786 7.043 ( 2.708 0.694 2.209) 3.563 7.190 ( 2.100 2.582 2.526) 4.178 7.237 ( 4.245 -2.019 1.487) 4.930 7.453 ( -0.802 2.617 3.933) 4.792 7.526 ( 1.586 -4.802 6.806) 8.479 7.781 ( 2.826 4.023 -1.115) 5.041 7.841 ( 3.076 -2.136 -0.552) 3.786 8.453 ( 0.464 -0.002 -2.265) 2.312 8.453 ( 0.238 -0.069 -2.112) 2.127 8.507 ( 1.999 1.859 0.710) 2.821 8.547 ( 2.663 -2.172 1.187) 3.636 8.901 ( 0.135 0.804 0.859) 1.185 8.921 ( 0.291 -1.071 1.670) 2.006 8.977 ( -0.781 0.704 3.051) 3.227 8.991 ( -0.515 -0.723 2.768) 2.907 9.041 ( 0.686 0.279 1.609) 1.771 9.046 ( 0.670 -0.375 2.408) 2.528 9.117 ( 1.532 2.320 1.223) 3.038 9.150 ( 1.402 -1.091 0.694) 1.907 9.463 ( 0.373 3.313 2.198) 3.994 9.527 ( 2.667 -2.938 2.701) 4.800 9.848 ( -1.374 0.572 -1.509) 2.120 9.866 ( -1.081 -1.250 -1.824) 2.461 9.963 ( 0.451 1.574 0.166) 1.646 9.978 ( 0.626 0.129 2.799) 2.871 10.154 ( -1.340 -0.161 -3.145) 3.422 10.159 ( -2.428 -0.823 -2.764) 3.770 10.211 ( -1.076 1.922 -9.146) 9.408 10.256 ( -2.571 -2.611 -15.482) 15.910 10.420 ( -5.194 2.045 -5.866) 8.098 10.465 ( -5.121 -2.451 -6.476) 8.613 ======================= Grid point 34 (22/50) ======================= q-point: (-0.14 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( -9.210 26.519 11.622) 30.383 0.967 ( -17.750 26.759 5.795) 32.629 1.350 ( -12.877 -18.834 16.726) 28.290 1.418 ( -20.582 -14.730 6.962) 26.250 1.441 ( -25.728 4.876 18.873) 32.278 1.927 ( -12.227 -19.261 11.332) 25.474 2.042 ( -15.016 2.216 11.358) 18.957 2.223 ( 1.974 0.134 2.511) 3.196 2.312 ( -3.724 0.903 1.974) 4.310 2.316 ( -1.766 1.454 -0.316) 2.309 2.358 ( 2.132 1.720 -0.887) 2.879 2.449 ( -0.353 6.881 -1.969) 7.166 2.526 ( 4.292 -4.498 4.712) 7.801 2.599 ( 4.083 -2.904 -0.136) 5.013 2.626 ( 3.673 -3.860 -0.235) 5.334 2.682 ( 2.782 0.059 -3.352) 4.356 2.715 ( 0.628 -2.721 -3.836) 4.745 2.765 ( 0.296 -10.322 0.139) 10.327 2.792 ( 4.248 8.041 0.954) 9.144 2.827 ( 1.123 3.833 -3.783) 5.501 2.885 ( 0.853 -0.043 -2.365) 2.515 2.914 ( 1.639 -0.314 1.701) 2.383 2.994 ( -0.954 1.658 0.732) 2.048 2.996 ( 3.166 -0.767 4.577) 5.618 3.052 ( 1.554 -2.068 3.616) 4.446 3.080 ( -3.203 -4.215 0.768) 5.349 3.126 ( 0.977 1.125 -5.359) 5.562 3.149 ( 0.640 -0.587 -5.306) 5.376 3.191 ( 0.016 2.556 -1.658) 3.047 3.214 ( -0.524 -0.094 -1.420) 1.516 3.273 ( -2.102 -0.158 -0.381) 2.142 3.278 ( -1.431 -0.098 0.511) 1.522 3.356 ( -0.565 3.130 1.396) 3.474 3.371 ( 4.773 -0.347 -2.494) 5.397 3.392 ( 4.117 2.725 -4.650) 6.782 3.405 ( 3.332 2.807 -3.341) 5.490 3.444 ( 1.706 2.250 -0.916) 2.968 3.454 ( 3.462 4.376 -2.229) 6.008 3.519 ( 0.283 -4.339 -1.537) 4.612 3.535 ( -0.233 -2.716 0.824) 2.848 3.582 ( -5.725 8.507 2.497) 10.553 3.624 ( -1.818 1.705 -0.954) 2.669 3.628 ( -0.000 7.506 2.297) 7.849 3.928 ( 0.358 1.730 -0.792) 1.936 4.016 ( -3.955 -12.884 -1.248) 13.535 4.054 ( 2.193 -5.789 -2.671) 6.742 4.139 ( 0.209 2.325 1.656) 2.862 4.201 ( 1.668 -4.096 -0.734) 4.483 4.316 ( 6.736 5.542 -2.660) 9.119 4.432 ( 7.247 -5.619 -2.794) 9.586 4.528 ( 1.100 1.474 -3.487) 3.942 4.559 ( 1.520 -2.558 0.018) 2.975 4.616 ( -0.826 3.282 0.598) 3.436 4.673 ( -0.066 -0.550 0.008) 0.553 4.974 ( 4.512 1.233 -6.366) 7.899 4.992 ( 3.503 -0.274 -5.835) 6.811 5.765 ( 0.161 3.078 -0.287) 3.096 5.791 ( 2.266 2.823 -0.962) 3.745 5.822 ( 0.149 -1.911 -0.539) 1.991 5.859 ( 1.549 -3.367 -0.531) 3.744 6.013 ( -1.415 2.929 0.112) 3.255 6.064 ( -1.636 -2.671 0.635) 3.196 6.262 ( -1.801 0.741 1.751) 2.619 6.275 ( -1.632 -0.247 2.446) 2.951 6.285 ( 0.931 2.793 -0.063) 2.944 6.331 ( 0.924 -1.805 -0.698) 2.144 6.378 ( -0.034 3.578 2.077) 4.137 6.405 ( -1.058 1.016 1.186) 1.886 6.434 ( 0.427 -2.018 0.727) 2.187 6.449 ( 0.386 -2.620 -0.198) 2.656 6.575 ( -0.168 3.279 -0.005) 3.283 6.598 ( 1.445 3.351 -2.254) 4.289 6.622 ( -0.588 -0.188 -0.671) 0.911 6.684 ( 4.557 -4.117 -4.094) 7.380 6.860 ( 3.774 4.136 -1.889) 5.909 6.934 ( 1.770 -3.514 -1.000) 4.060 7.062 ( -1.248 0.478 -0.580) 1.456 7.067 ( -1.072 0.008 -0.640) 1.248 7.202 ( -1.385 4.047 -1.647) 4.584 7.273 ( 0.505 -2.963 -3.149) 4.353 7.483 ( -0.593 4.540 2.198) 5.079 7.606 ( 0.374 -8.173 2.597) 8.584 7.829 ( 2.625 3.544 -3.370) 5.550 7.883 ( 1.851 -1.768 -2.698) 3.719 8.446 ( 0.700 0.280 -1.662) 1.825 8.449 ( 0.952 0.027 -1.955) 2.175 8.545 ( 0.807 1.792 -0.273) 1.984 8.587 ( 0.124 -2.506 -0.726) 2.612 8.905 ( 0.089 0.655 -0.640) 0.920 8.926 ( -0.191 -1.390 -0.658) 1.550 8.991 ( -0.711 0.849 2.557) 2.786 9.004 ( -0.936 -0.487 3.037) 3.215 9.101 ( 0.770 0.730 3.214) 3.385 9.105 ( 1.828 0.506 5.430) 5.751 9.161 ( 0.291 0.263 0.547) 0.673 9.196 ( 3.672 -4.159 9.230) 10.769 9.548 ( 6.779 6.243 2.884) 9.656 9.628 ( 4.383 -2.779 1.004) 5.286 9.784 ( -4.607 1.251 -3.712) 6.047 9.818 ( -7.479 -2.424 -7.608) 10.941 9.919 ( -3.097 0.927 -7.968) 8.599 9.930 ( -3.186 -0.397 -7.420) 8.085 10.010 ( -1.146 1.807 1.943) 2.890 10.043 ( -2.481 -1.465 0.667) 2.957 10.165 ( 2.175 2.444 -2.180) 3.931 10.212 ( 3.243 -2.446 -2.306) 4.671 10.370 ( 1.452 3.337 4.787) 6.013 10.428 ( 2.266 -2.701 6.629) 7.509 ======================= Grid point 42 (23/50) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( -6.619 0.000 29.045) 29.789 1.376 ( 7.855 0.000 29.504) 30.532 1.643 ( -6.743 0.000 5.100) 8.454 1.684 ( -7.568 0.000 1.501) 7.715 1.815 ( -11.471 0.000 19.333) 22.480 1.903 ( -18.773 0.000 15.836) 24.560 1.949 ( -1.376 0.000 35.720) 35.746 2.340 ( 0.139 0.000 -10.452) 10.453 2.351 ( 5.014 0.000 3.262) 5.982 2.430 ( -0.941 0.000 -0.736) 1.195 2.531 ( -5.621 0.000 0.262) 5.627 2.552 ( 1.306 0.000 -7.508) 7.620 2.585 ( 3.542 0.000 0.733) 3.617 2.637 ( 0.181 0.000 -3.453) 3.458 2.667 ( -1.229 0.000 0.926) 1.538 2.677 ( 2.459 0.000 2.907) 3.807 2.719 ( 1.698 0.000 -5.527) 5.783 2.780 ( -0.297 0.000 1.615) 1.642 2.824 ( -0.413 0.000 -1.318) 1.382 2.834 ( 2.742 0.000 0.175) 2.747 2.877 ( -0.938 0.000 -3.658) 3.777 2.929 ( -2.661 0.000 -0.940) 2.823 2.952 ( -3.209 0.000 4.704) 5.694 2.978 ( 3.701 0.000 -4.856) 6.106 3.074 ( 0.181 0.000 -3.565) 3.570 3.079 ( -4.027 0.000 -1.489) 4.294 3.110 ( -3.837 0.000 1.623) 4.166 3.119 ( -0.199 0.000 1.173) 1.189 3.190 ( -2.172 0.000 2.905) 3.627 3.239 ( 1.251 0.000 -0.090) 1.254 3.307 ( 8.338 0.000 -2.551) 8.719 3.322 ( 1.458 0.000 5.678) 5.862 3.323 ( 1.563 0.000 4.978) 5.218 3.340 ( 5.456 0.000 6.682) 8.626 3.356 ( 3.353 0.000 -4.127) 5.318 3.394 ( -4.891 0.000 5.416) 7.298 3.418 ( 6.187 0.000 7.115) 9.429 3.513 ( -4.077 0.000 0.557) 4.115 3.517 ( 5.620 0.000 2.894) 6.321 3.556 ( -3.231 0.000 -0.246) 3.240 3.576 ( 4.135 0.000 0.345) 4.150 3.678 ( 2.856 0.000 2.237) 3.628 3.679 ( 3.357 0.000 2.741) 4.334 3.955 ( 5.860 0.000 0.989) 5.942 4.050 ( 1.423 0.000 -1.261) 1.902 4.069 ( 0.180 0.000 -5.722) 5.725 4.172 ( 2.589 0.000 -1.172) 2.842 4.308 ( 5.785 0.000 -9.635) 11.238 4.336 ( 2.303 0.000 3.821) 4.462 4.393 ( 2.701 0.000 -7.386) 7.864 4.427 ( -0.791 0.000 -5.163) 5.223 4.595 ( 4.399 0.000 0.458) 4.423 4.596 ( -1.309 0.000 -6.703) 6.830 4.714 ( 1.742 0.000 -0.712) 1.882 4.805 ( 3.872 0.000 -5.016) 6.336 4.878 ( 3.220 0.000 -6.619) 7.361 5.779 ( 2.749 0.000 0.186) 2.755 5.814 ( -1.748 0.000 0.742) 1.899 5.832 ( 2.322 0.000 -0.345) 2.348 5.875 ( 1.426 0.000 -0.230) 1.445 6.004 ( -1.402 0.000 2.773) 3.107 6.144 ( 0.980 0.000 -1.603) 1.879 6.229 ( -2.053 0.000 1.197) 2.377 6.266 ( 0.496 0.000 0.973) 1.092 6.295 ( -1.288 0.000 -1.108) 1.699 6.361 ( -0.393 0.000 0.547) 0.673 6.362 ( -0.368 0.000 0.622) 0.723 6.396 ( -0.344 0.000 0.444) 0.562 6.434 ( 1.555 0.000 -3.554) 3.880 6.504 ( -0.918 0.000 -0.542) 1.066 6.537 ( -1.466 0.000 3.487) 3.783 6.576 ( 0.942 0.000 -2.137) 2.335 6.608 ( -0.595 0.000 3.555) 3.604 6.703 ( 2.902 0.000 -3.511) 4.555 6.775 ( -1.422 0.000 0.121) 1.427 6.847 ( -4.441 0.000 -2.222) 4.966 6.943 ( 1.036 0.000 -1.138) 1.539 7.013 ( 0.329 0.000 -2.669) 2.690 7.070 ( -5.307 0.000 -0.562) 5.337 7.112 ( -4.695 0.000 -5.188) 6.997 7.461 ( -1.409 0.000 3.357) 3.641 7.604 ( -4.488 0.000 0.110) 4.489 7.651 ( 1.550 0.000 -3.243) 3.594 7.777 ( 0.110 0.000 -4.936) 4.937 8.424 ( 0.488 0.000 -0.622) 0.791 8.437 ( 1.015 0.000 -0.538) 1.149 8.468 ( -0.615 0.000 -1.439) 1.565 8.523 ( -1.151 0.000 -2.440) 2.698 8.863 ( 0.649 0.000 -0.718) 0.968 8.899 ( 0.513 0.000 -0.479) 0.702 8.942 ( -3.491 0.000 -1.598) 3.839 8.970 ( -3.090 0.000 -1.781) 3.567 9.196 ( 2.785 0.000 3.141) 4.198 9.226 ( 3.197 0.000 2.476) 4.044 9.257 ( -4.777 0.000 1.982) 5.172 9.287 ( -5.224 0.000 1.424) 5.415 9.487 ( -2.887 0.000 3.946) 4.889 9.576 ( -2.883 0.000 0.685) 2.963 9.721 ( 5.053 0.000 -1.608) 5.303 9.739 ( 5.505 0.000 -2.544) 6.064 9.893 ( 0.862 0.000 1.659) 1.870 9.964 ( -0.719 0.000 0.661) 0.977 10.013 ( 2.227 0.000 -0.704) 2.335 10.091 ( 1.315 0.000 -2.799) 3.092 10.265 ( 2.645 0.000 3.178) 4.135 10.325 ( 4.158 0.000 0.802) 4.235 10.700 ( 4.505 0.000 8.508) 9.627 10.879 ( 9.142 0.000 1.254) 9.228 ======================= Grid point 43 (24/50) ======================= q-point: ( 0.14 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( -4.954 0.000 25.642) 26.116 1.611 ( -2.386 0.000 7.174) 7.560 1.623 ( -5.055 0.000 12.227) 13.230 1.722 ( -2.574 0.000 13.116) 13.366 1.767 ( -5.950 0.000 16.424) 17.469 1.813 ( 10.024 0.000 24.219) 26.211 2.254 ( -2.371 0.000 -5.900) 6.359 2.314 ( 0.690 0.000 -3.905) 3.965 2.378 ( 5.676 0.000 13.833) 14.952 2.402 ( -0.841 0.000 -4.775) 4.848 2.446 ( -5.895 0.000 -0.005) 5.895 2.487 ( -8.777 0.000 -6.371) 10.845 2.532 ( -0.527 0.000 -1.058) 1.182 2.549 ( -2.063 0.000 -5.373) 5.756 2.610 ( -2.433 0.000 -0.444) 2.474 2.668 ( -0.811 0.000 -1.785) 1.961 2.721 ( 1.477 0.000 1.495) 2.101 2.787 ( -2.874 0.000 -6.874) 7.451 2.805 ( -3.607 0.000 2.464) 4.368 2.808 ( -2.797 0.000 -4.471) 5.274 2.836 ( 1.669 0.000 3.869) 4.214 2.913 ( 1.414 0.000 0.784) 1.617 2.942 ( -4.169 0.000 -0.897) 4.265 2.953 ( -0.822 0.000 -11.820) 11.849 2.986 ( 3.025 0.000 -1.465) 3.361 3.045 ( -4.144 0.000 3.536) 5.447 3.106 ( -8.723 0.000 1.612) 8.871 3.118 ( 0.579 0.000 6.412) 6.438 3.217 ( 3.873 0.000 0.121) 3.875 3.265 ( 3.270 0.000 4.132) 5.270 3.274 ( -3.610 0.000 0.270) 3.620 3.329 ( -1.659 0.000 1.097) 1.988 3.337 ( -2.378 0.000 -1.607) 2.870 3.407 ( 2.747 0.000 1.532) 3.145 3.436 ( 3.638 0.000 -0.504) 3.672 3.462 ( 1.548 0.000 -0.812) 1.748 3.488 ( -2.093 0.000 1.067) 2.349 3.577 ( 5.382 0.000 9.762) 11.147 3.614 ( 2.317 0.000 1.644) 2.841 3.644 ( 2.849 0.000 4.887) 5.657 3.677 ( 6.530 0.000 7.024) 9.591 3.755 ( 4.021 0.000 -0.256) 4.029 3.762 ( 4.272 0.000 2.924) 5.177 4.023 ( 2.785 0.000 -3.697) 4.629 4.057 ( 2.226 0.000 -4.090) 4.656 4.095 ( 3.484 0.000 -1.622) 3.843 4.209 ( 2.058 0.000 0.641) 2.155 4.308 ( -1.114 0.000 -5.165) 5.284 4.329 ( -4.965 0.000 -4.297) 6.567 4.361 ( 4.225 0.000 -14.276) 14.888 4.411 ( 0.557 0.000 5.354) 5.383 4.543 ( 1.102 0.000 -6.089) 6.187 4.675 ( 3.301 0.000 -5.200) 6.159 4.768 ( 4.751 0.000 1.733) 5.057 4.850 ( 0.492 0.000 -9.229) 9.242 4.853 ( 3.742 0.000 -2.842) 4.699 5.768 ( -2.107 0.000 -0.814) 2.259 5.828 ( -0.160 0.000 -3.149) 3.153 5.830 ( 1.276 0.000 0.339) 1.320 5.914 ( 1.073 0.000 -0.658) 1.259 6.010 ( -0.168 0.000 2.333) 2.339 6.137 ( -0.087 0.000 -0.523) 0.530 6.214 ( -0.795 0.000 1.559) 1.750 6.267 ( -1.434 0.000 -0.621) 1.563 6.277 ( 0.263 0.000 -0.872) 0.911 6.330 ( -1.598 0.000 -1.758) 2.376 6.357 ( -0.504 0.000 0.437) 0.667 6.397 ( -0.346 0.000 1.984) 2.014 6.440 ( 1.134 0.000 -1.347) 1.761 6.481 ( -0.020 0.000 0.314) 0.314 6.542 ( -1.083 0.000 -0.850) 1.377 6.576 ( 1.132 0.000 -0.800) 1.386 6.665 ( 2.427 0.000 4.668) 5.262 6.684 ( -2.648 0.000 -0.805) 2.767 6.745 ( -1.686 0.000 1.330) 2.147 6.787 ( 0.603 0.000 -1.885) 1.979 6.963 ( -0.641 0.000 -0.305) 0.710 6.964 ( -3.426 0.000 -2.219) 4.082 6.980 ( -1.339 0.000 -0.657) 1.492 7.032 ( -0.677 0.000 0.397) 0.785 7.470 ( -0.557 0.000 3.694) 3.736 7.546 ( -2.633 0.000 2.618) 3.713 7.663 ( 1.935 0.000 -2.708) 3.328 7.742 ( -0.040 0.000 -4.105) 4.106 8.427 ( 0.457 0.000 -0.922) 1.029 8.445 ( 0.353 0.000 -0.770) 0.847 8.446 ( -0.573 0.000 -1.058) 1.203 8.483 ( -1.117 0.000 -1.730) 2.060 8.879 ( -1.221 0.000 -1.665) 2.065 8.881 ( 0.951 0.000 0.945) 1.341 8.915 ( 0.754 0.000 0.996) 1.249 8.918 ( -0.991 0.000 -1.211) 1.564 9.178 ( -4.016 0.000 0.774) 4.090 9.202 ( -4.819 0.000 0.963) 4.915 9.250 ( -0.405 0.000 3.808) 3.829 9.286 ( -0.114 0.000 3.456) 3.458 9.475 ( -0.882 0.000 3.197) 3.317 9.537 ( -1.603 0.000 1.058) 1.921 9.805 ( 4.362 0.000 -2.288) 4.926 9.810 ( 4.274 0.000 -3.100) 5.280 9.905 ( -0.522 0.000 1.159) 1.271 9.961 ( -0.636 0.000 1.010) 1.194 10.036 ( 1.385 0.000 -2.193) 2.594 10.085 ( 1.099 0.000 -3.815) 3.970 10.321 ( 1.466 0.000 0.337) 1.505 10.396 ( 2.936 0.000 -0.859) 3.059 10.785 ( -0.650 0.000 3.379) 3.440 10.954 ( -0.068 0.000 -2.986) 2.987 ======================= Grid point 44 (25/50) ======================= q-point: ( 0.29 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( 7.156 0.000 16.148) 17.663 1.639 ( 2.547 0.000 5.510) 6.071 1.724 ( 6.316 0.000 11.648) 13.251 1.841 ( 1.941 0.000 11.772) 11.931 1.911 ( 9.437 0.000 12.934) 16.011 2.125 ( -1.641 0.000 0.871) 1.857 2.186 ( -1.727 0.000 -3.265) 3.693 2.202 ( -4.296 0.000 -7.595) 8.726 2.292 ( -4.209 0.000 -8.988) 9.924 2.292 ( -6.013 0.000 -4.056) 7.253 2.308 ( 2.812 0.000 6.795) 7.354 2.371 ( -4.418 0.000 -2.538) 5.095 2.425 ( -5.271 0.000 -5.160) 7.376 2.476 ( -1.179 0.000 -9.236) 9.311 2.535 ( -7.930 0.000 -2.910) 8.447 2.641 ( -1.270 0.000 -9.880) 9.961 2.683 ( -3.870 0.000 -3.831) 5.446 2.716 ( -3.176 0.000 -0.983) 3.325 2.754 ( -0.204 0.000 -3.481) 3.487 2.789 ( 0.806 0.000 0.335) 0.873 2.805 ( -4.248 0.000 -10.929) 11.725 2.861 ( -4.102 0.000 -4.167) 5.847 2.952 ( 2.705 0.000 4.596) 5.333 3.001 ( -0.223 0.000 5.302) 5.307 3.020 ( -1.218 0.000 9.352) 9.431 3.035 ( 4.515 0.000 -0.041) 4.516 3.091 ( 5.361 0.000 4.298) 6.871 3.121 ( -1.816 0.000 2.031) 2.724 3.190 ( -4.508 0.000 -3.175) 5.514 3.219 ( -1.576 0.000 1.767) 2.368 3.233 ( -4.385 0.000 -5.688) 7.182 3.311 ( 1.681 0.000 3.970) 4.312 3.352 ( 1.068 0.000 -0.438) 1.155 3.462 ( -1.393 0.000 5.489) 5.663 3.481 ( 2.388 0.000 2.960) 3.803 3.487 ( 1.854 0.000 -2.847) 3.398 3.527 ( 3.249 0.000 1.034) 3.409 3.613 ( -0.415 0.000 -1.735) 1.784 3.667 ( -3.624 0.000 5.319) 6.437 3.676 ( -2.306 0.000 3.786) 4.433 3.758 ( -0.010 0.000 -1.878) 1.878 3.820 ( 2.498 0.000 -0.720) 2.599 3.938 ( 6.825 0.000 7.245) 9.953 4.002 ( -1.303 0.000 -6.262) 6.396 4.067 ( -0.685 0.000 -1.609) 1.748 4.130 ( 0.490 0.000 -4.100) 4.130 4.194 ( -1.600 0.000 -8.618) 8.765 4.212 ( -3.647 0.000 1.615) 3.988 4.246 ( 1.607 0.000 -1.715) 2.350 4.404 ( 3.003 0.000 4.408) 5.334 4.428 ( -2.509 0.000 5.479) 6.026 4.523 ( 1.674 0.000 -6.038) 6.266 4.678 ( 1.727 0.000 -4.483) 4.804 4.762 ( -0.818 0.000 -9.548) 9.583 4.869 ( 2.545 0.000 3.019) 3.948 4.909 ( 3.025 0.000 -1.035) 3.197 5.725 ( -1.050 0.000 -1.860) 2.136 5.784 ( -0.884 0.000 -5.312) 5.385 5.834 ( -0.417 0.000 -1.025) 1.106 5.897 ( -0.964 0.000 -2.503) 2.683 6.021 ( 0.074 0.000 0.482) 0.487 6.142 ( 0.548 0.000 0.043) 0.550 6.211 ( -2.194 0.000 -0.705) 2.304 6.229 ( 1.424 0.000 0.541) 1.523 6.274 ( -0.025 0.000 -0.942) 0.942 6.298 ( -0.978 0.000 -1.140) 1.502 6.356 ( -0.260 0.000 1.520) 1.542 6.417 ( 0.226 0.000 2.443) 2.453 6.452 ( 0.084 0.000 1.374) 1.377 6.460 ( -3.702 0.000 -2.581) 4.513 6.514 ( 1.740 0.000 1.982) 2.637 6.608 ( 1.721 0.000 1.242) 2.122 6.682 ( 1.284 0.000 2.450) 2.767 6.726 ( -0.652 0.000 1.552) 1.684 6.764 ( 3.399 0.000 2.710) 4.347 6.802 ( 1.197 0.000 -0.544) 1.315 6.897 ( -3.125 0.000 -0.957) 3.268 6.901 ( -1.568 0.000 -0.570) 1.668 7.017 ( 2.311 0.000 1.137) 2.576 7.046 ( 0.589 0.000 2.798) 2.859 7.492 ( 0.052 0.000 2.910) 2.910 7.532 ( -1.313 0.000 3.125) 3.390 7.672 ( 1.058 0.000 -3.424) 3.584 7.721 ( 0.946 0.000 -2.397) 2.577 8.427 ( 0.452 0.000 -1.411) 1.482 8.434 ( 0.143 0.000 -0.879) 0.891 8.440 ( -0.022 0.000 -1.033) 1.033 8.455 ( -0.507 0.000 -1.262) 1.360 8.875 ( 1.793 0.000 -0.907) 2.009 8.907 ( 0.329 0.000 2.094) 2.120 8.919 ( 1.787 0.000 -0.120) 1.791 8.937 ( 0.070 0.000 2.466) 2.467 9.110 ( -3.239 0.000 -0.258) 3.250 9.119 ( -3.885 0.000 -0.133) 3.887 9.234 ( -3.998 0.000 3.738) 5.473 9.269 ( -4.347 0.000 3.902) 5.841 9.497 ( 0.603 0.000 1.866) 1.961 9.528 ( -0.359 0.000 0.845) 0.918 9.848 ( 2.598 0.000 -3.705) 4.525 9.854 ( 2.773 0.000 -3.551) 4.506 9.898 ( -0.612 0.000 0.460) 0.765 9.956 ( -0.552 0.000 1.445) 1.547 10.034 ( 0.833 0.000 -3.523) 3.620 10.089 ( 2.332 0.000 -3.342) 4.075 10.319 ( -0.414 0.000 -3.620) 3.643 10.413 ( 0.868 0.000 -4.891) 4.967 10.734 ( -4.920 0.000 -1.679) 5.199 10.863 ( -5.337 0.000 -5.245) 7.484 ======================= Grid point 45 (26/50) ======================= q-point: (-0.57 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( -0.778 0.000 -4.498) 4.564 1.862 ( 5.536 0.000 3.060) 6.325 1.921 ( -1.873 0.000 -2.661) 3.254 1.958 ( 1.458 0.000 4.049) 4.303 1.985 ( 2.580 0.000 3.686) 4.499 2.077 ( -1.210 0.000 -8.893) 8.975 2.086 ( 2.511 0.000 1.521) 2.936 2.141 ( -0.581 0.000 -3.582) 3.629 2.148 ( -0.765 0.000 -4.192) 4.262 2.254 ( 6.821 0.000 1.145) 6.917 2.256 ( -0.837 0.000 -4.177) 4.260 2.345 ( 1.430 0.000 -3.110) 3.423 2.391 ( -1.915 0.000 -2.612) 3.239 2.409 ( 6.313 0.000 0.782) 6.362 2.537 ( 3.310 0.000 -1.718) 3.729 2.559 ( -0.428 0.000 -4.923) 4.941 2.611 ( -3.830 0.000 -2.113) 4.374 2.620 ( 2.382 0.000 -4.880) 5.431 2.659 ( -0.888 0.000 -4.416) 4.504 2.737 ( -6.342 0.000 -1.592) 6.539 2.789 ( 3.452 0.000 3.123) 4.655 2.795 ( 3.394 0.000 -9.541) 10.126 2.958 ( -3.877 0.000 -2.245) 4.480 3.027 ( -1.518 0.000 -1.120) 1.887 3.044 ( -1.838 0.000 1.047) 2.115 3.046 ( -3.522 0.000 -3.542) 4.995 3.087 ( -3.581 0.000 -0.573) 3.627 3.090 ( 0.395 0.000 3.325) 3.348 3.130 ( -0.079 0.000 -1.866) 1.868 3.160 ( 2.348 0.000 0.643) 2.434 3.231 ( 0.391 0.000 1.417) 1.470 3.286 ( -4.723 0.000 -4.720) 6.677 3.364 ( -3.027 0.000 1.888) 3.568 3.485 ( 2.128 0.000 -2.092) 2.984 3.500 ( -1.972 0.000 -1.211) 2.314 3.517 ( -14.567 0.000 6.760) 16.059 3.563 ( -0.976 0.000 1.541) 1.824 3.584 ( -1.091 0.000 7.134) 7.216 3.618 ( 2.880 0.000 -1.274) 3.149 3.674 ( 0.527 0.000 4.702) 4.731 3.692 ( -3.260 0.000 -3.940) 5.114 3.827 ( -3.739 0.000 1.095) 3.896 3.919 ( 2.283 0.000 -0.837) 2.432 3.976 ( -10.381 0.000 -2.329) 10.639 4.016 ( -3.266 0.000 2.208) 3.942 4.062 ( 1.398 0.000 0.494) 1.483 4.168 ( -1.033 0.000 2.889) 3.068 4.208 ( -0.473 0.000 1.797) 1.858 4.277 ( 5.005 0.000 -8.038) 9.469 4.416 ( -2.777 0.000 4.139) 4.984 4.483 ( 1.903 0.000 2.220) 2.924 4.531 ( 1.230 0.000 0.107) 1.234 4.670 ( -0.395 0.000 -1.614) 1.662 4.706 ( 1.757 0.000 -5.516) 5.790 4.895 ( -2.040 0.000 2.669) 3.359 4.938 ( 0.646 0.000 -1.656) 1.778 5.702 ( 0.457 0.000 -2.561) 2.602 5.725 ( -0.641 0.000 -5.136) 5.176 5.812 ( -0.604 0.000 -1.138) 1.289 5.861 ( -0.479 0.000 -2.422) 2.469 6.033 ( 1.026 0.000 0.566) 1.172 6.147 ( 0.309 0.000 -0.698) 0.763 6.180 ( -1.696 0.000 1.172) 2.062 6.265 ( 0.264 0.000 -1.076) 1.108 6.271 ( 2.754 0.000 -0.910) 2.900 6.280 ( 0.667 0.000 -1.845) 1.962 6.366 ( -0.477 0.000 2.278) 2.328 6.420 ( 0.233 0.000 0.768) 0.802 6.429 ( -0.225 0.000 0.671) 0.708 6.459 ( -1.311 0.000 2.935) 3.215 6.548 ( -0.151 0.000 2.575) 2.579 6.639 ( 0.076 0.000 0.614) 0.619 6.703 ( -1.012 0.000 -1.242) 1.602 6.731 ( 0.058 0.000 2.623) 2.623 6.795 ( -1.892 0.000 -2.326) 2.998 6.843 ( 3.593 0.000 2.350) 4.294 6.881 ( 2.484 0.000 1.170) 2.746 6.911 ( 2.191 0.000 0.633) 2.281 7.082 ( 2.848 0.000 2.733) 3.948 7.099 ( 2.549 0.000 3.203) 4.093 7.504 ( -0.763 0.000 1.239) 1.455 7.547 ( 0.090 0.000 4.389) 4.390 7.657 ( 0.797 0.000 -3.761) 3.844 7.741 ( 2.373 0.000 -1.441) 2.776 8.423 ( 0.353 0.000 -1.803) 1.838 8.431 ( 0.129 0.000 -1.225) 1.232 8.435 ( 0.555 0.000 -0.721) 0.910 8.455 ( 1.594 0.000 -0.912) 1.836 8.921 ( -0.602 0.000 2.187) 2.269 8.926 ( 3.496 0.000 0.049) 3.497 8.955 ( -0.457 0.000 2.958) 2.993 8.978 ( 3.306 0.000 1.111) 3.487 9.053 ( -2.238 0.000 0.080) 2.240 9.063 ( -1.667 0.000 0.022) 1.667 9.172 ( -4.193 0.000 2.446) 4.854 9.196 ( -5.123 0.000 2.156) 5.558 9.509 ( -1.191 0.000 2.221) 2.520 9.532 ( -0.301 0.000 1.984) 2.007 9.842 ( 0.389 0.000 -3.929) 3.948 9.870 ( 1.919 0.000 -4.702) 5.078 9.900 ( 0.801 0.000 -0.053) 0.803 9.970 ( 0.419 0.000 2.855) 2.886 10.027 ( 1.780 0.000 -3.770) 4.170 10.119 ( 2.911 0.000 -2.952) 4.146 10.251 ( -2.360 0.000 -6.584) 6.994 10.349 ( -2.110 0.000 -8.574) 8.830 10.591 ( -6.513 0.000 -4.992) 8.206 10.690 ( -7.032 0.000 -6.870) 9.831 ======================= Grid point 46 (27/50) ======================= q-point: (-0.43 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( -18.425 0.000 0.096) 18.425 1.487 ( -23.165 0.000 -11.206) 25.733 1.944 ( 0.108 0.000 -0.783) 0.791 1.945 ( -1.780 0.000 -8.322) 8.510 2.048 ( 5.931 0.000 -5.165) 7.865 2.079 ( -0.636 0.000 4.945) 4.985 2.197 ( 9.127 0.000 -0.137) 9.129 2.255 ( 6.239 0.000 9.286) 11.187 2.284 ( 8.271 0.000 -2.698) 8.700 2.336 ( 1.970 0.000 -3.211) 3.767 2.352 ( -0.233 0.000 -2.617) 2.627 2.389 ( 8.060 0.000 -2.926) 8.574 2.445 ( 1.297 0.000 -5.062) 5.225 2.512 ( 14.138 0.000 3.994) 14.691 2.527 ( 1.174 0.000 -4.251) 4.411 2.556 ( -2.193 0.000 8.401) 8.683 2.641 ( 4.284 0.000 -7.949) 9.030 2.647 ( 5.536 0.000 -5.122) 7.542 2.658 ( 1.510 0.000 -0.370) 1.555 2.751 ( 13.123 0.000 3.892) 13.688 2.765 ( -4.763 0.000 -1.137) 4.897 2.883 ( 0.971 0.000 -8.598) 8.653 2.891 ( 3.538 0.000 -0.160) 3.542 2.928 ( -0.489 0.000 -11.066) 11.077 2.959 ( -6.170 0.000 4.459) 7.613 2.984 ( 0.101 0.000 1.247) 1.251 3.020 ( -2.396 0.000 -6.995) 7.394 3.089 ( -0.566 0.000 -1.897) 1.980 3.160 ( 0.504 0.000 0.835) 0.975 3.167 ( -2.691 0.000 -3.175) 4.163 3.179 ( -1.494 0.000 -0.285) 1.521 3.211 ( -1.996 0.000 -1.105) 2.281 3.305 ( -9.663 0.000 8.748) 13.035 3.329 ( -1.920 0.000 0.370) 1.955 3.416 ( -4.886 0.000 -1.681) 5.167 3.497 ( -7.348 0.000 4.858) 8.808 3.538 ( -2.449 0.000 2.071) 3.207 3.555 ( 1.233 0.000 0.910) 1.532 3.587 ( -8.203 0.000 -0.500) 8.219 3.592 ( -3.069 0.000 -2.400) 3.896 3.669 ( 0.162 0.000 1.823) 1.830 3.745 ( -13.577 0.000 5.294) 14.573 3.746 ( -2.520 0.000 -0.373) 2.547 3.980 ( -2.395 0.000 3.346) 4.115 4.023 ( -1.915 0.000 -3.535) 4.021 4.123 ( 8.199 0.000 5.249) 9.735 4.166 ( -1.324 0.000 0.024) 1.324 4.199 ( -0.690 0.000 2.628) 2.717 4.299 ( 3.023 0.000 -6.097) 6.805 4.377 ( -3.955 0.000 2.628) 4.749 4.502 ( -0.851 0.000 -2.001) 2.175 4.564 ( 2.033 0.000 2.583) 3.287 4.634 ( -2.427 0.000 -0.052) 2.427 4.737 ( 3.180 0.000 -1.521) 3.526 4.842 ( -5.136 0.000 2.350) 5.648 4.906 ( -0.697 0.000 -5.183) 5.230 5.690 ( 0.655 0.000 -3.340) 3.403 5.700 ( 1.181 0.000 -2.753) 2.996 5.804 ( 0.340 0.000 0.145) 0.369 5.846 ( 0.625 0.000 -1.786) 1.892 6.055 ( -0.020 0.000 0.936) 0.936 6.147 ( -0.048 0.000 -0.249) 0.253 6.167 ( -0.222 0.000 1.483) 1.499 6.267 ( 1.258 0.000 -1.827) 2.218 6.296 ( 2.605 0.000 -2.590) 3.673 6.319 ( 2.213 0.000 -0.241) 2.226 6.368 ( -1.349 0.000 2.673) 2.994 6.420 ( -0.845 0.000 -0.338) 0.910 6.449 ( -1.854 0.000 2.964) 3.496 6.451 ( 1.860 0.000 0.226) 1.874 6.563 ( 0.130 0.000 2.357) 2.361 6.620 ( -1.634 0.000 -0.499) 1.708 6.652 ( -2.642 0.000 -0.513) 2.692 6.728 ( -2.581 0.000 -2.215) 3.401 6.761 ( -0.067 0.000 3.684) 3.684 6.934 ( 2.258 0.000 -0.724) 2.371 6.945 ( 4.714 0.000 -0.266) 4.722 6.970 ( 3.022 0.000 0.689) 3.100 7.160 ( 2.831 0.000 2.086) 3.516 7.184 ( 3.891 0.000 1.103) 4.044 7.490 ( -1.445 0.000 1.499) 2.082 7.604 ( 2.347 0.000 4.163) 4.779 7.652 ( 1.593 0.000 -3.497) 3.842 7.783 ( 3.110 0.000 -1.892) 3.641 8.412 ( 0.161 0.000 -1.827) 1.834 8.427 ( 0.279 0.000 -1.155) 1.189 8.449 ( 1.461 0.000 -0.848) 1.690 8.497 ( 3.352 0.000 -1.279) 3.588 8.922 ( -0.921 0.000 1.925) 2.134 8.959 ( -0.739 0.000 0.932) 1.190 8.991 ( 2.503 0.000 0.259) 2.517 9.021 ( -0.224 0.000 0.843) 0.872 9.043 ( 0.617 0.000 2.236) 2.319 9.071 ( 1.589 0.000 3.675) 4.004 9.128 ( -2.391 0.000 0.694) 2.490 9.153 ( 0.578 0.000 2.032) 2.113 9.498 ( -2.032 0.000 3.838) 4.343 9.552 ( 0.710 0.000 3.011) 3.093 9.822 ( 0.665 0.000 -2.898) 2.974 9.850 ( -0.047 0.000 -4.812) 4.812 9.916 ( 0.600 0.000 -1.222) 1.361 10.016 ( 1.105 0.000 4.441) 4.576 10.049 ( 3.286 0.000 -4.873) 5.878 10.120 ( -0.779 0.000 -6.979) 7.023 10.147 ( -2.432 0.000 -5.453) 5.971 10.215 ( -4.082 0.000 -5.735) 7.039 10.430 ( -5.518 0.000 -4.641) 7.210 10.515 ( -5.070 0.000 -5.320) 7.349 ======================= Grid point 47 (28/50) ======================= q-point: (-0.29 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( -16.521 0.000 8.525) 18.590 1.158 ( -16.149 0.000 12.785) 20.598 1.919 ( 1.133 0.000 -1.186) 1.640 1.969 ( -0.229 0.000 1.825) 1.839 2.071 ( -3.784 0.000 4.250) 5.690 2.097 ( 3.293 0.000 -2.414) 4.083 2.173 ( -7.774 0.000 -1.106) 7.852 2.206 ( -10.639 0.000 8.472) 13.600 2.331 ( -19.184 0.000 17.923) 26.254 2.374 ( 7.736 0.000 -0.341) 7.743 2.437 ( 6.604 0.000 -3.471) 7.461 2.487 ( 3.575 0.000 -2.638) 4.443 2.510 ( 4.349 0.000 6.582) 7.889 2.552 ( 0.139 0.000 2.783) 2.787 2.630 ( -2.542 0.000 -8.176) 8.562 2.662 ( 12.478 0.000 -4.209) 13.169 2.663 ( 1.848 0.000 5.731) 6.021 2.708 ( 2.573 0.000 1.667) 3.066 2.756 ( 6.073 0.000 1.295) 6.209 2.808 ( -3.990 0.000 -5.810) 7.048 2.835 ( 17.848 0.000 -8.967) 19.974 2.920 ( 2.785 0.000 -1.511) 3.169 2.941 ( 11.950 0.000 -14.622) 18.884 2.950 ( 1.899 0.000 -1.210) 2.252 2.957 ( 4.812 0.000 -5.866) 7.587 2.983 ( 1.124 0.000 -3.203) 3.394 3.040 ( 1.288 0.000 -4.236) 4.428 3.087 ( 3.940 0.000 2.088) 4.459 3.128 ( 2.531 0.000 2.439) 3.515 3.144 ( -0.932 0.000 -1.782) 2.011 3.174 ( 1.298 0.000 -0.761) 1.504 3.199 ( 5.034 0.000 0.286) 5.042 3.202 ( -8.822 0.000 7.560) 11.618 3.290 ( -3.080 0.000 -0.052) 3.081 3.323 ( -4.013 0.000 2.747) 4.863 3.384 ( -5.166 0.000 2.768) 5.861 3.449 ( -4.506 0.000 0.340) 4.519 3.484 ( -6.084 0.000 2.178) 6.462 3.543 ( -3.474 0.000 6.196) 7.104 3.574 ( -4.467 0.000 -0.287) 4.476 3.596 ( 1.357 0.000 -0.799) 1.575 3.660 ( -3.244 0.000 2.965) 4.394 3.699 ( -3.005 0.000 0.835) 3.119 3.946 ( -4.592 0.000 2.329) 5.149 3.983 ( 1.658 0.000 -4.252) 4.564 4.139 ( -0.390 0.000 -0.768) 0.861 4.150 ( -2.584 0.000 4.223) 4.951 4.296 ( 0.362 0.000 -3.757) 3.774 4.313 ( -1.107 0.000 2.067) 2.344 4.329 ( 4.220 0.000 -0.683) 4.275 4.445 ( -3.325 0.000 -0.173) 3.330 4.600 ( -1.297 0.000 1.956) 2.347 4.631 ( 2.542 0.000 2.267) 3.406 4.747 ( -5.943 0.000 1.812) 6.213 4.767 ( 2.587 0.000 -6.126) 6.649 4.861 ( 1.557 0.000 -7.123) 7.292 5.702 ( 2.349 0.000 -1.278) 2.674 5.703 ( 1.229 0.000 -1.906) 2.268 5.821 ( 0.677 0.000 0.691) 0.967 5.855 ( 1.535 0.000 -1.340) 2.037 6.042 ( -1.881 0.000 1.498) 2.405 6.136 ( -0.898 0.000 -0.189) 0.918 6.198 ( 1.852 0.000 1.261) 2.241 6.283 ( 1.436 0.000 -1.577) 2.133 6.331 ( 2.704 0.000 -2.373) 3.598 6.334 ( -0.808 0.000 0.534) 0.969 6.366 ( -1.089 0.000 3.099) 3.285 6.399 ( -0.661 0.000 -0.432) 0.790 6.439 ( -0.990 0.000 1.491) 1.790 6.480 ( 0.863 0.000 0.410) 0.955 6.583 ( -1.749 0.000 0.052) 1.750 6.596 ( 1.326 0.000 0.606) 1.458 6.608 ( -1.103 0.000 0.158) 1.114 6.669 ( -1.985 0.000 -1.455) 2.461 6.778 ( -0.561 0.000 2.629) 2.688 6.955 ( 0.904 0.000 -1.597) 1.835 6.999 ( 2.128 0.000 -3.120) 3.777 7.015 ( 1.610 0.000 -1.917) 2.503 7.203 ( 0.392 0.000 0.018) 0.392 7.239 ( 1.826 0.000 -2.201) 2.860 7.480 ( -0.985 0.000 1.752) 2.010 7.657 ( 1.575 0.000 -3.660) 3.984 7.687 ( 3.316 0.000 0.258) 3.326 7.817 ( 2.246 0.000 -3.580) 4.226 8.406 ( 0.617 0.000 -1.298) 1.437 8.423 ( 0.121 0.000 -0.908) 0.916 8.474 ( 1.920 0.000 -1.700) 2.564 8.546 ( 2.893 0.000 -2.843) 4.056 8.909 ( -1.472 0.000 0.168) 1.481 8.942 ( -1.129 0.000 -0.813) 1.391 9.014 ( 0.087 0.000 0.462) 0.470 9.032 ( 1.374 0.000 0.975) 1.685 9.116 ( -0.144 0.000 1.164) 1.173 9.121 ( 4.072 0.000 5.837) 7.117 9.164 ( -1.150 0.000 -0.315) 1.192 9.212 ( 8.875 0.000 7.010) 11.309 9.498 ( -1.416 0.000 4.813) 5.017 9.609 ( 2.400 0.000 2.013) 3.132 9.784 ( -2.580 0.000 -4.735) 5.393 9.828 ( -0.921 0.000 -5.801) 5.873 9.878 ( -2.006 0.000 -3.364) 3.917 9.917 ( -4.812 0.000 -7.364) 8.797 10.044 ( -1.748 0.000 1.788) 2.501 10.092 ( -0.905 0.000 -1.429) 1.692 10.121 ( 1.422 0.000 0.840) 1.651 10.157 ( 1.653 0.000 -1.303) 2.105 10.363 ( 0.754 0.000 3.928) 4.000 10.466 ( 1.969 0.000 1.951) 2.772 ======================= Grid point 48 (29/50) ======================= q-point: (-0.14 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( 2.876 0.000 30.410) 30.546 1.105 ( -4.203 0.000 26.490) 26.822 1.801 ( -9.867 0.000 -1.054) 9.923 1.853 ( -10.397 0.000 1.418) 10.493 1.930 ( -22.302 0.000 24.507) 33.136 2.022 ( -15.185 0.000 13.805) 20.522 2.107 ( -12.949 0.000 15.271) 20.022 2.208 ( 3.749 0.000 5.531) 6.681 2.280 ( 12.517 0.000 7.687) 14.689 2.442 ( -1.651 0.000 -9.667) 9.807 2.495 ( 1.248 0.000 -1.235) 1.756 2.513 ( 3.774 0.000 -1.248) 3.975 2.555 ( 3.970 0.000 -3.644) 5.389 2.596 ( 4.851 0.000 -3.698) 6.099 2.665 ( 0.775 0.000 3.611) 3.693 2.718 ( -0.562 0.000 -5.442) 5.471 2.744 ( -0.548 0.000 -1.945) 2.021 2.752 ( 0.520 0.000 4.977) 5.004 2.798 ( 3.947 0.000 -3.380) 5.196 2.855 ( -1.327 0.000 -0.489) 1.415 2.857 ( 0.977 0.000 -0.323) 1.029 2.868 ( 3.720 0.000 0.588) 3.766 2.992 ( -1.259 0.000 1.416) 1.895 3.041 ( 2.192 0.000 -1.728) 2.791 3.057 ( -3.819 0.000 0.620) 3.869 3.095 ( 1.480 0.000 8.208) 8.340 3.111 ( 9.382 0.000 -6.983) 11.695 3.126 ( 4.338 0.000 1.887) 4.731 3.128 ( 9.327 0.000 -3.497) 9.961 3.180 ( 1.543 0.000 -5.918) 6.116 3.200 ( -2.335 0.000 2.805) 3.650 3.220 ( 9.525 0.000 -3.746) 10.235 3.235 ( 0.164 0.000 -1.770) 1.778 3.286 ( 0.306 0.000 0.347) 0.463 3.318 ( 1.814 0.000 0.256) 1.832 3.373 ( -4.655 0.000 1.894) 5.025 3.380 ( 0.944 0.000 4.180) 4.285 3.452 ( 1.971 0.000 3.979) 4.441 3.520 ( 1.074 0.000 -0.764) 1.318 3.587 ( 0.917 0.000 4.641) 4.731 3.601 ( -4.361 0.000 3.098) 5.349 3.612 ( 1.224 0.000 0.222) 1.244 3.635 ( -4.388 0.000 2.481) 5.041 3.869 ( -2.340 0.000 3.173) 3.943 4.027 ( 4.771 0.000 -4.015) 6.236 4.122 ( -1.730 0.000 -2.012) 2.653 4.138 ( -0.329 0.000 1.649) 1.682 4.273 ( 2.843 0.000 -6.352) 6.959 4.294 ( -0.849 0.000 3.198) 3.309 4.401 ( 0.315 0.000 -3.433) 3.448 4.412 ( 4.692 0.000 -3.380) 5.782 4.587 ( -2.165 0.000 0.100) 2.167 4.659 ( -1.369 0.000 -0.368) 1.417 4.686 ( -0.769 0.000 2.610) 2.721 4.774 ( 4.953 0.000 -8.711) 10.021 4.856 ( 3.164 0.000 -6.004) 6.787 5.727 ( 2.188 0.000 -0.157) 2.194 5.758 ( 3.710 0.000 0.431) 3.735 5.830 ( -0.332 0.000 0.565) 0.656 5.872 ( 1.002 0.000 -1.715) 1.987 6.018 ( -2.076 0.000 2.462) 3.221 6.127 ( 0.546 0.000 -0.102) 0.556 6.241 ( 1.636 0.000 0.497) 1.710 6.273 ( -1.930 0.000 -0.482) 1.989 6.321 ( -0.649 0.000 -0.000) 0.649 6.353 ( 0.386 0.000 0.595) 0.709 6.364 ( -1.078 0.000 2.136) 2.392 6.397 ( 0.732 0.000 -1.124) 1.342 6.432 ( 0.320 0.000 -1.269) 1.309 6.496 ( 0.320 0.000 1.225) 1.266 6.566 ( -0.224 0.000 0.733) 0.767 6.569 ( -2.824 0.000 2.225) 3.596 6.627 ( -1.626 0.000 -0.446) 1.686 6.655 ( 4.144 0.000 -2.739) 4.968 6.785 ( -0.231 0.000 0.939) 0.967 6.948 ( -0.018 0.000 -1.757) 1.757 6.955 ( -3.202 0.000 -4.280) 5.345 7.022 ( 1.105 0.000 -3.062) 3.255 7.168 ( -3.486 0.000 -1.077) 3.649 7.217 ( -1.388 0.000 -4.888) 5.081 7.471 ( -1.459 0.000 1.821) 2.334 7.654 ( 1.143 0.000 -3.764) 3.934 7.691 ( -1.836 0.000 -3.362) 3.831 7.810 ( 0.675 0.000 -5.045) 5.090 8.418 ( 1.189 0.000 -0.649) 1.354 8.421 ( 0.346 0.000 -0.617) 0.707 8.485 ( 0.631 0.000 -2.195) 2.284 8.555 ( 0.481 0.000 -3.254) 3.289 8.875 ( -0.926 0.000 -1.648) 1.891 8.910 ( -0.924 0.000 -1.301) 1.596 9.004 ( -1.752 0.000 -0.285) 1.775 9.053 ( -2.472 0.000 -0.756) 2.585 9.121 ( 1.413 0.000 1.765) 2.261 9.155 ( 2.053 0.000 0.873) 2.231 9.251 ( 2.503 0.000 6.467) 6.934 9.385 ( 0.072 0.000 -1.314) 1.316 9.505 ( -2.041 0.000 4.553) 4.990 9.625 ( -1.453 0.000 -0.907) 1.713 9.663 ( 0.053 0.000 -3.300) 3.301 9.701 ( -1.383 0.000 -3.996) 4.229 9.855 ( 1.044 0.000 1.029) 1.466 9.956 ( 3.943 0.000 0.680) 4.001 9.994 ( -2.628 0.000 -0.366) 2.653 10.075 ( 0.806 0.000 0.101) 0.812 10.183 ( 2.770 0.000 3.460) 4.432 10.230 ( 4.972 0.000 0.269) 4.979 10.508 ( 6.293 0.000 10.662) 12.381 10.624 ( 10.446 0.000 7.175) 12.673 ======================= Grid point 49 (30/50) ======================= q-point: ( 0.00 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( 4.773 -3.145 26.909) 27.509 1.325 ( -3.544 -12.874 14.590) 19.778 1.486 ( -13.327 5.903 28.078) 31.635 1.637 ( -16.309 -10.069 23.451) 30.287 1.983 ( -8.738 14.170 2.628) 16.854 2.134 ( -6.450 11.376 8.841) 15.785 2.215 ( 1.112 18.534 22.905) 29.485 2.248 ( -5.881 -1.795 2.021) 6.473 2.401 ( 1.252 0.665 2.366) 2.759 2.421 ( 1.351 1.074 -4.724) 5.030 2.522 ( 4.016 -3.033 2.249) 5.512 2.547 ( -1.558 -5.518 -2.470) 6.243 2.576 ( -0.402 1.945 -3.901) 4.377 2.582 ( 3.345 -4.012 -3.616) 6.353 2.621 ( -1.022 0.056 -0.922) 1.377 2.690 ( 2.001 -9.512 7.959) 12.563 2.717 ( 3.255 0.374 4.351) 5.447 2.759 ( -0.859 -1.556 -0.422) 1.827 2.792 ( 3.818 -2.788 0.676) 4.776 2.799 ( -1.167 -2.213 -6.039) 6.537 2.825 ( -0.685 -0.358 1.537) 1.720 2.888 ( -4.360 -4.418 -1.133) 6.309 2.967 ( 0.441 1.690 2.129) 2.754 2.999 ( -4.032 1.621 1.502) 4.598 3.021 ( 0.723 -4.638 4.560) 6.545 3.043 ( -4.031 -2.930 1.006) 5.084 3.068 ( -0.404 -2.657 -0.594) 2.752 3.082 ( 2.319 -2.257 1.156) 3.436 3.120 ( 0.049 1.979 -3.185) 3.750 3.181 ( 2.583 -2.435 -3.590) 5.049 3.288 ( 3.984 1.683 -1.279) 4.510 3.302 ( 2.848 0.150 0.976) 3.014 3.341 ( 3.500 0.758 -0.832) 3.676 3.358 ( 0.757 -0.320 2.451) 2.585 3.385 ( -0.694 2.699 -1.652) 3.240 3.416 ( -0.381 0.738 -0.999) 1.298 3.507 ( -2.534 1.540 0.468) 3.002 3.530 ( 6.308 1.982 2.241) 6.982 3.538 ( -2.870 -0.908 0.251) 3.021 3.577 ( 3.320 -1.173 2.206) 4.155 3.626 ( 4.001 1.887 3.181) 5.449 3.651 ( 3.809 -1.534 2.653) 4.889 3.809 ( 0.905 14.188 6.663) 15.701 3.947 ( 2.561 0.164 -0.509) 2.616 4.037 ( 1.705 -2.650 -4.087) 5.161 4.052 ( 1.835 -3.702 -1.684) 4.462 4.193 ( 2.145 3.061 0.649) 3.794 4.260 ( 3.067 -4.168 0.686) 5.220 4.323 ( 5.266 1.822 -8.359) 10.046 4.383 ( 1.593 -3.791 -5.902) 7.194 4.477 ( 1.215 5.322 -4.573) 7.121 4.563 ( -0.454 -3.501 -6.073) 7.024 4.615 ( 3.920 2.127 -0.106) 4.461 4.671 ( 2.763 -3.519 -0.326) 4.486 4.834 ( 3.361 2.385 -5.780) 7.099 4.870 ( 3.166 -1.171 -6.572) 7.388 5.790 ( 1.357 0.856 -0.169) 1.613 5.805 ( -0.794 -0.742 0.058) 1.088 5.846 ( 2.438 1.431 -0.315) 2.845 5.871 ( 1.824 -0.862 -0.229) 2.030 6.032 ( -0.664 3.047 2.207) 3.821 6.103 ( 0.921 -3.989 0.603) 4.138 6.215 ( -2.566 0.696 -0.273) 2.673 6.248 ( -1.577 -2.480 -0.684) 3.018 6.310 ( -0.840 1.893 1.391) 2.495 6.338 ( -0.629 -1.218 1.205) 1.825 6.405 ( 0.183 0.962 -0.833) 1.285 6.422 ( 0.858 -0.924 -2.077) 2.430 6.438 ( 0.674 4.392 -0.547) 4.477 6.497 ( 0.892 -1.701 -0.507) 1.987 6.545 ( -1.989 1.147 1.362) 2.670 6.568 ( -0.383 -1.061 -1.751) 2.083 6.621 ( 0.809 1.979 2.649) 3.404 6.671 ( 2.002 -2.715 -0.943) 3.503 6.814 ( -1.361 2.901 -2.531) 4.084 6.848 ( -3.514 -0.475 -3.172) 4.758 6.951 ( 0.483 1.231 -0.728) 1.509 6.989 ( -0.422 -2.242 -1.820) 2.918 7.073 ( -4.808 0.554 -1.588) 5.094 7.094 ( -4.609 -1.501 -3.931) 6.241 7.487 ( -1.957 2.774 2.927) 4.483 7.553 ( -3.018 -3.813 1.404) 5.062 7.699 ( 0.552 3.478 -4.042) 5.361 7.755 ( 0.242 -2.260 -4.818) 5.327 8.427 ( 0.598 0.266 -0.749) 0.995 8.432 ( 0.817 -0.329 -0.746) 1.154 8.485 ( -0.708 1.426 -1.619) 2.270 8.511 ( -1.010 -1.185 -2.161) 2.663 8.869 ( 0.333 0.663 -0.975) 1.225 8.886 ( 0.098 -1.042 -0.957) 1.418 8.954 ( -2.967 0.914 -1.267) 3.353 8.967 ( -2.924 -0.395 -1.442) 3.284 9.202 ( 2.706 0.616 3.001) 4.087 9.216 ( 2.786 -0.860 2.628) 3.925 9.267 ( -4.617 0.853 1.994) 5.101 9.282 ( -4.884 -0.569 1.633) 5.181 9.508 ( -2.874 2.061 3.063) 4.678 9.552 ( -2.845 -2.242 1.470) 3.909 9.728 ( 5.175 0.539 -1.860) 5.525 9.736 ( 5.415 -0.324 -2.306) 5.894 9.905 ( 0.714 1.256 1.359) 1.983 9.936 ( 0.196 -2.014 0.823) 2.184 10.040 ( 1.576 2.084 -1.022) 2.806 10.076 ( 1.388 -1.542 -2.087) 2.943 10.277 ( 3.010 1.275 2.667) 4.219 10.307 ( 3.765 -1.654 1.573) 4.403 10.741 ( 5.394 4.086 7.074) 9.789 10.829 ( 7.677 -4.627 3.655) 9.680 ======================= Grid point 50 (31/50) ======================= q-point: ( 0.14 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( -3.382 3.231 23.601) 24.060 1.526 ( 5.279 -0.579 19.813) 20.512 1.545 ( -7.030 -5.630 21.654) 23.452 1.651 ( 9.326 -10.787 26.251) 29.874 1.886 ( -3.862 12.021 4.682) 13.466 1.980 ( -8.330 13.497 4.465) 16.478 2.124 ( -5.620 -7.844 1.099) 9.712 2.287 ( -7.287 -11.626 -3.871) 14.257 2.378 ( -0.758 2.978 -12.767) 13.132 2.424 ( -3.115 -0.206 -7.214) 7.860 2.461 ( -3.431 0.095 -6.363) 7.230 2.508 ( -7.136 -3.257 -2.759) 8.316 2.580 ( -1.390 8.261 2.546) 8.755 2.596 ( 0.440 2.781 -1.877) 3.384 2.616 ( 1.551 -0.675 -2.881) 3.342 2.674 ( 0.689 1.066 0.381) 1.325 2.708 ( 2.607 4.109 5.897) 7.646 2.762 ( 0.438 0.247 -0.312) 0.592 2.805 ( 0.489 -1.641 0.469) 1.776 2.809 ( -0.535 1.114 -2.786) 3.048 2.842 ( 0.411 -0.835 3.758) 3.872 2.888 ( -5.145 1.387 0.594) 5.362 2.915 ( -5.230 -1.335 0.248) 5.404 2.973 ( 2.772 -1.588 -1.528) 3.541 3.003 ( -0.355 0.498 3.580) 3.631 3.075 ( -2.162 -0.297 1.944) 2.923 3.097 ( 3.773 -3.151 9.214) 10.443 3.127 ( -2.850 1.955 0.102) 3.458 3.174 ( 2.279 -2.816 3.864) 5.296 3.198 ( 2.093 -3.993 0.944) 4.606 3.294 ( -1.870 -0.777 1.983) 2.835 3.307 ( -1.031 -2.352 4.274) 4.986 3.362 ( 0.271 1.944 0.329) 1.990 3.384 ( 0.841 0.931 0.715) 1.444 3.419 ( 0.147 -0.570 -2.055) 2.138 3.441 ( 3.536 -1.013 -1.747) 4.071 3.483 ( 1.600 0.478 1.359) 2.153 3.502 ( 1.185 -1.635 1.254) 2.377 3.633 ( 1.072 0.969 1.005) 1.760 3.647 ( 1.865 -0.145 3.769) 4.208 3.722 ( 4.206 1.013 0.230) 4.332 3.746 ( 4.418 -1.115 0.502) 4.584 3.892 ( 2.569 8.659 4.167) 9.947 3.989 ( 2.071 -2.894 -1.352) 3.806 4.057 ( 2.960 0.654 -4.072) 5.076 4.088 ( 3.727 -1.653 -3.502) 5.375 4.236 ( 2.162 2.812 0.529) 3.587 4.293 ( 0.450 -2.234 -3.899) 4.516 4.318 ( -2.299 -0.345 -4.335) 4.919 4.331 ( -0.513 -1.746 -2.400) 3.012 4.453 ( 1.187 3.383 -6.698) 7.597 4.514 ( 1.447 -2.794 -8.030) 8.624 4.700 ( 3.882 2.317 -1.768) 4.854 4.745 ( 4.662 -2.162 1.042) 5.244 4.859 ( 1.467 0.509 -7.146) 7.313 4.859 ( 2.833 0.401 -4.385) 5.236 5.776 ( -1.461 0.869 -1.036) 1.990 5.798 ( -0.266 -1.458 -1.352) 2.006 5.866 ( 0.698 2.002 -1.574) 2.641 5.899 ( 0.703 -1.441 -1.224) 2.017 6.043 ( 0.077 3.323 1.673) 3.721 6.116 ( 0.131 -3.559 -0.037) 3.562 6.184 ( -0.681 0.579 1.072) 1.396 6.227 ( -0.278 -3.214 0.544) 3.272 6.304 ( -0.978 1.985 0.600) 2.293 6.333 ( -0.716 -1.165 0.416) 1.429 6.384 ( -1.767 1.877 -1.853) 3.175 6.398 ( -0.791 -0.102 0.311) 0.856 6.456 ( 1.181 2.204 -1.425) 2.878 6.495 ( 0.905 -0.058 -2.928) 3.065 6.525 ( -1.861 -0.322 1.295) 2.290 6.554 ( -0.129 -1.969 -0.116) 1.976 6.679 ( 2.364 1.067 3.972) 4.743 6.689 ( -0.037 0.128 0.802) 0.813 6.758 ( -1.930 1.178 -0.189) 2.269 6.779 ( -0.498 -0.879 -1.648) 1.933 6.964 ( -2.189 0.306 -1.404) 2.619 6.974 ( -2.816 -0.518 -0.988) 3.028 6.978 ( 0.093 1.240 -0.127) 1.250 7.011 ( -0.640 -1.933 0.368) 2.069 7.484 ( -1.014 1.552 3.551) 4.005 7.521 ( -1.942 -2.115 3.007) 4.157 7.689 ( 1.194 2.235 -3.226) 4.103 7.727 ( 0.313 -1.538 -3.912) 4.215 8.429 ( 0.400 0.231 -0.950) 1.057 8.435 ( 0.239 -0.411 -0.928) 1.043 8.461 ( -0.564 0.920 -1.154) 1.580 8.477 ( -0.950 -0.683 -1.544) 1.937 8.869 ( -0.222 -0.289 -0.837) 0.913 8.874 ( -0.158 -0.709 -0.797) 1.078 8.924 ( 0.058 0.733 0.551) 0.919 8.928 ( -0.230 0.331 0.182) 0.442 9.184 ( -4.160 0.589 0.863) 4.289 9.196 ( -4.549 -0.605 0.963) 4.690 9.259 ( -0.407 0.920 3.701) 3.836 9.278 ( -0.263 -0.877 3.532) 3.649 9.490 ( -1.039 1.502 2.656) 3.223 9.521 ( -1.402 -1.555 1.595) 2.632 9.808 ( 4.341 0.181 -2.565) 5.046 9.810 ( 4.306 -0.026 -2.950) 5.220 9.915 ( -0.525 1.030 1.135) 1.620 9.941 ( -0.539 -1.589 1.007) 1.957 10.054 ( 1.210 1.376 -2.566) 3.154 10.076 ( 1.113 -0.919 -3.410) 3.703 10.338 ( 1.828 1.732 0.142) 2.522 10.376 ( 2.548 -1.952 -0.430) 3.238 10.826 ( -0.395 3.981 1.992) 4.469 10.909 ( -0.111 -4.243 -1.129) 4.392 ======================= Grid point 51 (32/50) ======================= q-point: ( 0.29 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( 5.973 0.860 15.038) 16.204 1.627 ( 3.696 -0.918 10.488) 11.158 1.809 ( 6.492 8.332 11.175) 15.377 1.901 ( 0.620 6.307 5.988) 8.719 1.988 ( 5.865 5.606 8.909) 12.050 2.003 ( 1.040 -10.875 8.841) 14.054 2.072 ( 1.660 -5.536 0.959) 5.859 2.181 ( 0.545 -7.075 -3.425) 7.880 2.224 ( -3.482 -1.854 -3.653) 5.376 2.251 ( -3.913 -3.198 -6.611) 8.321 2.291 ( -5.810 0.309 -8.556) 10.347 2.331 ( -5.076 -4.522 -6.884) 9.675 2.511 ( -2.773 7.499 -5.384) 9.639 2.557 ( -1.060 3.011 -5.145) 6.055 2.570 ( -5.181 4.271 -1.408) 6.861 2.641 ( -7.148 1.250 -3.065) 7.877 2.652 ( -1.710 -2.761 -4.056) 5.196 2.717 ( -2.039 -1.452 -7.932) 8.318 2.757 ( -1.313 1.407 -0.374) 1.961 2.825 ( -1.870 3.362 0.686) 3.908 2.842 ( -0.664 0.873 -0.635) 1.268 2.862 ( -1.099 -7.404 4.066) 8.518 2.944 ( -0.722 5.219 -7.556) 9.211 2.980 ( -1.460 0.749 0.865) 1.855 3.023 ( -0.890 -2.493 0.927) 2.805 3.034 ( 1.878 -0.754 1.288) 2.399 3.056 ( -1.140 1.808 0.351) 2.166 3.143 ( -2.734 -4.609 -4.082) 6.737 3.199 ( -2.214 4.254 1.966) 5.184 3.236 ( -0.741 1.514 2.289) 2.843 3.293 ( -0.779 3.293 -1.950) 3.905 3.329 ( 1.221 -0.219 0.689) 1.419 3.343 ( 1.177 1.955 0.928) 2.463 3.412 ( -0.391 -2.949 5.017) 5.832 3.425 ( 0.780 -2.066 -0.179) 2.216 3.485 ( 1.960 -3.410 5.677) 6.906 3.546 ( 2.315 1.808 2.274) 3.715 3.603 ( 1.586 -4.570 2.483) 5.437 3.641 ( 0.363 2.086 1.147) 2.409 3.676 ( -0.541 -0.914 3.632) 3.784 3.780 ( 0.664 2.554 0.149) 2.643 3.818 ( 2.081 -0.776 0.174) 2.228 3.947 ( 0.608 0.439 1.425) 1.610 3.972 ( -2.119 -2.507 -4.735) 5.761 4.070 ( 1.776 1.766 -2.073) 3.251 4.113 ( 1.317 -1.925 -3.182) 3.945 4.203 ( -4.676 1.049 -2.520) 5.414 4.220 ( -4.106 -0.315 0.726) 4.181 4.293 ( 4.019 4.377 -4.137) 7.240 4.370 ( 3.023 -3.189 2.869) 5.248 4.446 ( 0.194 1.383 1.802) 2.279 4.484 ( 0.539 -2.896 -5.320) 6.081 4.726 ( -0.005 4.816 -1.769) 5.131 4.816 ( 0.030 1.139 -4.673) 4.810 4.824 ( 2.198 -1.237 -0.717) 2.622 4.888 ( 2.987 -2.488 -2.534) 4.641 5.740 ( -0.779 1.413 -2.146) 2.685 5.769 ( -0.538 -1.460 -3.436) 3.772 5.844 ( -0.981 1.178 -2.630) 3.044 5.875 ( -1.123 -1.835 -2.971) 3.668 6.056 ( 0.336 3.191 0.737) 3.292 6.118 ( 0.150 -2.949 0.287) 2.967 6.197 ( 0.782 1.191 0.718) 1.595 6.237 ( 0.537 -2.434 0.357) 2.518 6.277 ( -0.802 2.324 -1.194) 2.733 6.307 ( -1.047 -0.487 -1.634) 2.001 6.360 ( -0.808 1.187 1.866) 2.355 6.396 ( -0.898 -1.981 1.777) 2.809 6.453 ( -0.440 0.268 -0.136) 0.533 6.460 ( -1.438 -0.315 -1.191) 1.894 6.531 ( 1.172 1.865 2.228) 3.133 6.576 ( 1.206 -2.663 2.039) 3.564 6.699 ( 0.344 1.729 0.620) 1.868 6.730 ( -0.252 -1.157 -0.033) 1.185 6.779 ( 3.510 2.121 3.254) 5.234 6.805 ( 2.796 -0.292 0.785) 2.919 6.894 ( -3.381 0.083 -0.878) 3.494 6.900 ( -2.644 -0.314 -0.247) 2.674 7.020 ( 2.155 0.482 1.595) 2.724 7.035 ( 1.322 -0.953 2.482) 2.969 7.498 ( -0.349 0.736 2.987) 3.096 7.518 ( -1.009 -1.224 3.057) 3.444 7.687 ( 0.984 1.351 -3.235) 3.641 7.711 ( 0.948 -1.015 -2.736) 3.069 8.429 ( 0.467 0.184 -1.300) 1.394 8.432 ( 0.356 -0.155 -1.099) 1.165 8.444 ( -0.268 0.376 -1.023) 1.122 8.452 ( -0.469 -0.338 -1.168) 1.303 8.872 ( 1.569 -0.023 -0.469) 1.638 8.882 ( 1.231 -1.202 0.333) 1.752 8.941 ( 0.809 0.875 1.588) 1.986 8.945 ( 0.376 0.423 2.215) 2.286 9.113 ( -3.404 0.238 -0.267) 3.423 9.117 ( -3.725 -0.212 -0.204) 3.737 9.243 ( -4.075 0.847 3.769) 5.615 9.260 ( -4.247 -0.831 3.848) 5.791 9.504 ( 0.346 0.721 1.624) 1.810 9.520 ( -0.132 -0.800 1.110) 1.374 9.850 ( 2.560 0.192 -3.647) 4.460 9.853 ( 2.681 -0.088 -3.587) 4.480 9.909 ( -0.536 1.096 0.459) 1.303 9.936 ( -0.463 -1.657 0.772) 1.885 10.052 ( 1.147 1.490 -3.095) 3.622 10.078 ( 1.929 -1.103 -3.184) 3.883 10.341 ( -0.173 2.148 -3.870) 4.429 10.387 ( 0.426 -2.417 -4.476) 5.105 10.768 ( -4.860 3.229 -2.580) 6.380 10.832 ( -5.106 -3.049 -4.328) 7.355 ======================= Grid point 52 (33/50) ======================= q-point: (-0.57 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( -4.983 2.211 -2.375) 5.947 1.842 ( 4.515 -3.520 1.762) 5.990 1.869 ( -0.113 -1.464 -3.233) 3.551 1.903 ( -3.529 -5.362 -0.331) 6.428 2.002 ( 6.735 2.973 6.224) 9.640 2.065 ( 7.353 -2.393 0.397) 7.743 2.104 ( 4.064 1.007 -3.957) 5.761 2.142 ( -1.453 5.079 -9.811) 11.143 2.162 ( 4.219 -4.286 -4.108) 7.283 2.212 ( -2.681 -0.536 -3.146) 4.168 2.292 ( 2.819 3.276 0.076) 4.323 2.395 ( -2.310 -3.578 -0.973) 4.369 2.434 ( -2.521 4.754 -4.115) 6.774 2.463 ( 4.474 5.651 5.131) 8.848 2.518 ( 0.451 -0.972 -1.001) 1.467 2.559 ( 3.110 5.607 -3.153) 7.145 2.604 ( 2.058 -2.698 -2.693) 4.332 2.647 ( 0.814 0.626 -3.260) 3.418 2.696 ( -2.441 -3.282 -0.817) 4.171 2.728 ( -3.228 1.342 -2.710) 4.424 2.791 ( 1.153 4.028 -4.619) 6.236 2.887 ( -0.737 -2.075 0.627) 2.289 2.891 ( 0.031 5.515 -6.787) 8.745 2.953 ( -1.290 -6.015 -4.236) 7.470 2.981 ( -2.283 -3.851 -2.226) 5.000 3.032 ( -0.174 -4.351 -0.583) 4.394 3.076 ( -1.802 0.175 -1.015) 2.076 3.082 ( -0.364 0.046 -0.589) 0.694 3.151 ( -2.086 1.527 0.307) 2.603 3.192 ( -3.238 -1.641 -2.077) 4.182 3.227 ( -0.607 2.758 -1.687) 3.289 3.274 ( -3.216 -1.111 -1.675) 3.792 3.376 ( -1.101 0.815 1.037) 1.718 3.416 ( -0.857 -3.927 0.625) 4.068 3.479 ( -4.439 -0.845 4.975) 6.720 3.498 ( -6.053 -2.801 6.008) 8.977 3.561 ( -2.054 1.450 0.721) 2.616 3.592 ( -2.233 -1.338 0.282) 2.618 3.635 ( -4.179 2.666 1.750) 5.257 3.668 ( -2.050 -0.662 1.311) 2.522 3.740 ( -3.169 2.839 -2.685) 5.031 3.792 ( -4.386 -2.776 -0.635) 5.229 3.929 ( 4.016 3.490 4.716) 7.110 3.997 ( 0.859 -2.543 3.974) 4.795 4.077 ( -1.204 4.470 -5.046) 6.848 4.089 ( -0.605 2.966 0.401) 3.053 4.151 ( -0.832 -1.203 1.002) 1.773 4.184 ( -0.763 -2.463 2.107) 3.330 4.313 ( 1.754 4.555 -5.430) 7.302 4.432 ( 2.009 -5.847 -2.644) 6.725 4.451 ( -2.452 1.443 3.052) 4.173 4.484 ( 0.480 -0.656 4.937) 5.003 4.697 ( -0.969 2.897 -0.395) 3.080 4.763 ( -2.561 -0.164 -2.938) 3.901 4.846 ( 1.007 0.589 -1.168) 1.651 4.920 ( 1.123 -3.275 -1.444) 3.751 5.717 ( 0.337 1.414 -2.738) 3.100 5.733 ( 0.014 0.216 -3.777) 3.783 5.805 ( -0.726 0.025 -2.227) 2.343 5.832 ( -0.609 -2.300 -2.713) 3.608 6.071 ( 0.601 3.072 0.697) 3.207 6.122 ( -0.194 -2.203 0.409) 2.249 6.204 ( -0.190 2.030 -0.230) 2.052 6.244 ( 0.645 -1.938 -1.216) 2.377 6.284 ( 1.957 0.940 -0.321) 2.195 6.290 ( 0.801 0.396 -1.457) 1.709 6.366 ( -0.503 0.404 2.509) 2.591 6.390 ( -0.387 -1.934 1.720) 2.617 6.445 ( -0.245 0.898 0.670) 1.147 6.459 ( -0.659 -0.361 2.020) 2.155 6.564 ( -0.037 1.742 2.433) 2.993 6.610 ( 0.102 -2.801 1.881) 3.376 6.700 ( -0.267 0.615 -0.830) 1.067 6.721 ( -0.145 -1.125 -0.894) 1.445 6.806 ( -2.049 1.241 -1.911) 3.064 6.840 ( -0.422 -2.252 -1.125) 2.553 6.890 ( 4.110 2.888 3.574) 6.165 6.923 ( 3.522 -0.271 2.917) 4.582 7.087 ( 2.952 0.487 2.695) 4.027 7.096 ( 2.724 -0.387 2.974) 4.052 7.509 ( -0.725 0.638 2.003) 2.223 7.529 ( -0.358 -1.433 3.477) 3.778 7.682 ( 1.391 2.241 -3.074) 4.050 7.723 ( 2.120 -1.800 -2.016) 3.435 8.425 ( 0.258 0.219 -1.643) 1.678 8.429 ( 0.191 -0.198 -1.353) 1.380 8.441 ( 0.781 0.475 -0.779) 1.201 8.450 ( 1.327 -0.455 -0.865) 1.648 8.912 ( 1.221 -0.214 1.332) 1.819 8.918 ( 1.483 -0.759 1.578) 2.295 8.972 ( 1.072 1.209 2.086) 2.639 8.984 ( 2.179 0.070 1.694) 2.761 9.055 ( -2.111 0.186 -0.105) 2.122 9.059 ( -1.829 -0.293 -0.152) 1.859 9.178 ( -4.458 0.590 2.374) 5.085 9.190 ( -4.927 -0.587 2.218) 5.435 9.514 ( -0.961 0.521 2.163) 2.423 9.526 ( -0.508 -0.591 2.042) 2.186 9.847 ( 0.528 0.543 -3.891) 3.964 9.860 ( 1.104 -0.780 -4.031) 4.251 9.914 ( 1.201 1.255 -0.384) 1.779 9.944 ( 0.900 -1.871 0.631) 2.170 10.060 ( 1.931 2.495 -2.238) 3.868 10.101 ( 2.558 -1.755 -2.521) 3.998 10.272 ( -2.364 2.168 -7.058) 7.753 10.320 ( -2.274 -2.603 -7.992) 8.708 10.620 ( -6.571 2.601 -5.568) 8.997 10.668 ( -6.858 -2.195 -6.454) 9.670 ======================= Grid point 53 (34/50) ======================= q-point: (-0.43 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( -17.119 7.119 2.178) 18.667 1.683 ( -11.542 -7.938 2.509) 14.231 1.740 ( -15.128 7.820 -5.086) 17.773 1.915 ( 1.721 -2.189 -8.960) 9.383 2.079 ( 6.624 -1.986 -6.836) 9.723 2.129 ( -1.465 -6.383 -8.353) 10.614 2.174 ( 2.631 2.752 2.143) 4.369 2.235 ( 5.848 -2.242 2.967) 6.930 2.253 ( 6.522 2.630 1.185) 7.131 2.324 ( 6.924 0.153 0.457) 6.941 2.390 ( 4.120 -0.826 -0.099) 4.203 2.401 ( 14.427 -0.571 -1.823) 14.553 2.441 ( 8.262 -3.529 1.198) 9.064 2.464 ( 3.089 -1.662 -2.257) 4.172 2.519 ( 1.246 4.098 -2.508) 4.964 2.592 ( 0.917 3.895 -1.450) 4.256 2.611 ( 1.388 -1.034 -4.780) 5.084 2.664 ( 0.063 3.478 -4.627) 5.788 2.764 ( -2.529 -1.828 -3.154) 4.437 2.777 ( 6.039 7.002 -0.074) 9.246 2.821 ( 1.828 0.410 -6.503) 6.767 2.842 ( 7.978 1.088 -4.919) 9.436 2.886 ( 3.198 -0.283 -1.594) 3.584 2.917 ( 1.045 -4.654 -7.454) 8.849 2.946 ( -7.758 -2.499 1.914) 8.372 2.956 ( 0.618 0.502 4.710) 4.777 2.995 ( -3.876 1.311 -0.080) 4.093 3.081 ( 0.750 -5.332 2.251) 5.836 3.119 ( -0.360 0.662 -1.137) 1.364 3.136 ( -6.183 -2.266 2.645) 7.097 3.186 ( -0.975 0.745 -2.160) 2.484 3.222 ( -1.370 -0.878 -2.751) 3.196 3.302 ( -9.978 1.000 7.242) 12.370 3.347 ( -8.487 -1.102 3.900) 9.405 3.367 ( -1.714 0.327 2.026) 2.674 3.429 ( -3.311 -5.582 0.473) 6.507 3.519 ( -2.557 1.488 -0.537) 3.006 3.547 ( -1.558 -1.124 -0.995) 2.164 3.580 ( -3.341 1.484 2.189) 4.261 3.628 ( -2.570 -2.720 1.760) 4.135 3.669 ( -1.430 4.447 -1.389) 4.874 3.733 ( -1.800 -1.876 -0.396) 2.630 3.958 ( -7.013 12.199 3.523) 14.505 4.010 ( -2.888 3.707 2.267) 5.218 4.033 ( -1.048 -0.294 -0.747) 1.321 4.101 ( 0.566 -1.009 -0.749) 1.378 4.157 ( 3.681 -0.819 0.236) 3.778 4.197 ( 0.177 -2.488 0.957) 2.672 4.285 ( -1.837 2.328 -0.173) 2.971 4.394 ( -4.542 -6.604 2.294) 8.337 4.450 ( 0.699 2.922 -1.527) 3.370 4.525 ( 0.807 -3.653 1.847) 4.172 4.670 ( -3.242 1.903 0.982) 3.886 4.713 ( 0.385 -2.579 -0.629) 2.682 4.843 ( -0.049 2.545 -2.152) 3.333 4.900 ( -0.867 -1.980 -3.499) 4.113 5.706 ( 0.991 1.800 -2.709) 3.400 5.722 ( 1.226 1.116 -2.462) 2.968 5.792 ( 0.680 -0.743 -0.959) 1.390 5.812 ( 0.319 -2.512 -1.710) 3.056 6.080 ( -0.580 2.039 0.768) 2.255 6.118 ( -0.633 -1.962 0.565) 2.138 6.208 ( 0.926 2.815 0.138) 2.967 6.251 ( 1.319 -1.673 -1.292) 2.492 6.311 ( 2.439 1.423 -2.004) 3.462 6.326 ( 2.157 0.194 -0.335) 2.191 6.373 ( -0.914 0.758 2.512) 2.778 6.403 ( 0.216 -2.246 1.241) 2.575 6.439 ( -1.019 1.081 0.874) 1.724 6.460 ( -0.395 -0.559 1.288) 1.459 6.573 ( -0.358 1.172 2.021) 2.364 6.603 ( -1.435 -1.675 0.717) 2.319 6.666 ( -2.162 1.556 -0.569) 2.724 6.707 ( -1.838 -2.520 -0.378) 3.142 6.771 ( 0.437 2.595 -0.346) 2.655 6.847 ( 1.749 -5.194 -1.340) 5.642 6.991 ( 3.861 2.661 1.102) 4.816 7.009 ( 3.173 1.058 0.916) 3.468 7.165 ( 2.985 0.569 1.581) 3.425 7.178 ( 3.556 -0.627 1.095) 3.773 7.508 ( -0.834 1.964 2.212) 3.073 7.560 ( 0.797 -3.272 3.234) 4.668 7.698 ( 2.571 3.498 -2.731) 5.129 7.758 ( 3.083 -2.542 -2.234) 4.578 8.416 ( 0.170 0.342 -1.613) 1.658 8.423 ( 0.230 -0.381 -1.292) 1.367 8.461 ( 1.920 1.166 -0.957) 2.442 8.485 ( 2.845 -1.182 -1.150) 3.288 8.926 ( -0.603 0.597 1.689) 1.890 8.944 ( -0.258 -1.151 1.292) 1.749 9.011 ( 1.060 1.230 0.719) 1.776 9.023 ( 0.043 -0.069 0.915) 0.918 9.047 ( 0.894 0.606 1.998) 2.271 9.062 ( 1.369 -0.780 2.653) 3.085 9.133 ( -1.402 0.608 1.305) 2.010 9.147 ( 0.118 -0.643 1.855) 1.966 9.511 ( -1.325 1.309 3.603) 4.056 9.538 ( 0.059 -1.359 3.178) 3.457 9.827 ( 0.497 0.502 -3.054) 3.134 9.840 ( 0.142 -0.810 -3.826) 3.914 9.937 ( 1.045 1.888 -1.505) 2.630 9.979 ( 1.768 -2.501 -0.153) 3.067 10.086 ( 1.934 2.254 -1.762) 3.453 10.114 ( 0.360 -0.754 -4.660) 4.734 10.156 ( -3.382 1.130 -6.357) 7.288 10.190 ( -4.024 -2.175 -6.033) 7.571 10.454 ( -5.425 2.230 -4.780) 7.567 10.496 ( -5.197 -1.889 -5.111) 7.530 ======================= Grid point 54 (35/50) ======================= q-point: (-0.29 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( -12.810 17.166 7.681) 22.754 1.376 ( -13.528 20.211 9.515) 26.116 1.611 ( -7.627 -22.182 4.967) 23.977 1.775 ( -9.964 -18.953 6.226) 22.299 2.097 ( 8.087 4.977 -2.143) 9.735 2.180 ( 1.721 10.252 -2.949) 10.805 2.233 ( 7.290 -6.205 0.369) 9.580 2.307 ( -7.336 4.783 6.004) 10.618 2.352 ( -9.982 0.611 10.399) 14.427 2.374 ( 3.542 -1.252 -1.759) 4.148 2.453 ( 4.044 0.712 1.096) 4.250 2.471 ( -1.510 -0.914 1.704) 2.453 2.513 ( -4.303 -1.248 2.766) 5.266 2.552 ( 1.303 -1.028 -2.601) 3.086 2.583 ( 0.956 1.936 -1.139) 2.442 2.624 ( 2.314 -2.981 -5.996) 7.085 2.654 ( -5.606 -2.675 11.226) 12.830 2.696 ( 3.982 4.434 1.224) 6.084 2.771 ( 7.593 0.689 0.410) 7.635 2.782 ( 4.205 -0.457 -2.329) 4.829 2.829 ( 3.699 -6.612 -1.239) 7.677 2.838 ( 9.015 0.681 -6.747) 11.281 2.874 ( -3.960 -4.007 0.312) 5.642 2.954 ( 2.813 -2.446 -5.694) 6.806 2.980 ( 10.611 0.272 -8.628) 13.679 2.988 ( 11.809 -1.039 -10.540) 15.863 3.052 ( -0.164 2.116 2.352) 3.169 3.098 ( 1.831 -1.375 1.491) 2.733 3.111 ( 2.044 -0.134 1.193) 2.371 3.129 ( 2.036 2.896 -6.933) 7.784 3.140 ( -1.929 -2.325 2.012) 3.630 3.197 ( 0.829 -2.251 -2.853) 3.728 3.230 ( -0.915 4.430 2.769) 5.304 3.280 ( -0.735 0.104 -1.194) 1.405 3.353 ( -1.566 0.768 2.172) 2.785 3.383 ( -2.448 -2.842 1.901) 4.205 3.450 ( -2.966 3.583 -0.742) 4.710 3.504 ( -2.995 -0.504 1.439) 3.361 3.539 ( -1.454 -0.485 0.060) 1.533 3.582 ( -2.784 -2.298 1.051) 3.759 3.655 ( -1.226 3.062 1.865) 3.789 3.700 ( -2.870 -0.768 1.648) 3.398 3.835 ( -8.484 19.248 6.811) 22.110 3.959 ( -3.966 1.947 1.142) 4.564 4.007 ( 0.067 -0.996 -1.104) 1.488 4.075 ( -1.270 -2.703 1.098) 3.183 4.183 ( -0.438 -3.151 -0.301) 3.195 4.234 ( 0.588 1.562 -0.948) 1.919 4.264 ( -1.097 -6.902 0.705) 7.024 4.315 ( -3.331 -4.672 3.644) 6.797 4.458 ( 1.562 3.813 -2.174) 4.659 4.538 ( 0.055 -4.393 0.734) 4.454 4.643 ( -0.338 2.339 1.129) 2.619 4.708 ( -1.847 -3.628 0.165) 4.074 4.818 ( 0.763 3.280 -4.618) 5.715 4.857 ( 1.137 -0.825 -6.383) 6.536 5.722 ( 2.264 2.579 -1.268) 3.659 5.737 ( 1.919 2.119 -1.601) 3.277 5.806 ( 0.875 -1.516 -0.229) 1.765 5.816 ( 1.243 -3.072 -1.064) 3.481 6.062 ( -1.797 1.918 1.141) 2.865 6.104 ( -1.251 -2.357 0.564) 2.727 6.238 ( 1.877 2.635 -0.060) 3.235 6.273 ( 1.630 -1.142 -1.224) 2.337 6.334 ( 0.310 0.809 -0.547) 1.025 6.346 ( 0.203 -0.021 -0.193) 0.282 6.376 ( 0.049 1.596 1.242) 2.023 6.411 ( 0.039 -0.897 -0.069) 0.901 6.430 ( -0.689 0.959 1.356) 1.798 6.464 ( -0.031 -1.692 1.021) 1.976 6.581 ( -0.774 0.145 0.630) 1.008 6.591 ( 0.901 -0.823 -0.047) 1.222 6.624 ( -2.206 1.954 0.890) 3.079 6.660 ( -2.239 -1.458 0.041) 2.672 6.793 ( 1.553 2.557 -0.314) 3.008 6.874 ( 2.163 -5.521 -1.880) 6.220 7.037 ( 1.145 2.353 -2.372) 3.532 7.049 ( 1.044 1.246 -1.380) 2.132 7.206 ( 0.453 0.481 -0.659) 0.933 7.224 ( 1.247 -1.297 -1.881) 2.603 7.514 ( -0.338 3.580 1.687) 3.972 7.599 ( 1.147 -4.894 0.628) 5.065 7.730 ( 2.688 3.660 -3.460) 5.709 7.794 ( 2.558 -2.594 -3.755) 5.232 8.410 ( 0.500 0.378 -1.211) 1.363 8.418 ( 0.256 -0.415 -1.018) 1.129 8.492 ( 2.217 1.788 -1.902) 3.425 8.528 ( 2.678 -1.732 -2.441) 4.016 8.916 ( -1.345 0.749 0.274) 1.564 8.933 ( -1.202 -0.890 -0.242) 1.515 9.023 ( 0.214 0.703 0.562) 0.925 9.032 ( 0.897 -0.171 0.742) 1.177 9.113 ( 1.172 0.195 2.183) 2.485 9.121 ( 2.010 -0.382 2.692) 3.381 9.173 ( 1.426 1.016 2.413) 2.981 9.197 ( 6.012 -1.354 5.671) 8.374 9.529 ( 0.212 2.846 3.818) 4.767 9.583 ( 1.857 -2.517 2.438) 3.966 9.796 ( -2.243 1.082 -4.901) 5.498 9.817 ( -1.521 -0.997 -5.391) 5.689 9.887 ( -2.341 0.864 -4.191) 4.878 9.906 ( -3.737 -1.017 -5.993) 7.136 10.063 ( -2.212 1.646 0.427) 2.790 10.087 ( -1.828 -0.670 -1.343) 2.365 10.121 ( 1.948 0.149 0.902) 2.152 10.136 ( 1.999 -1.518 -0.273) 2.525 10.395 ( 1.275 2.827 3.219) 4.470 10.445 ( 1.806 -2.129 2.348) 3.648 ======================= Grid point 55 (36/50) ======================= q-point: (-0.14 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( -8.345 10.468 17.580) 22.097 1.409 ( -11.185 -18.736 5.497) 22.502 1.430 ( -1.731 15.608 23.547) 28.303 1.748 ( -9.870 -14.576 19.470) 26.248 2.069 ( -18.423 13.114 25.903) 34.385 2.169 ( -11.088 11.503 4.926) 16.719 2.240 ( 2.308 4.360 4.612) 6.753 2.311 ( -1.846 6.118 2.773) 6.966 2.359 ( -1.879 -6.851 -1.012) 7.176 2.374 ( 6.629 6.701 5.853) 11.095 2.405 ( 4.389 -5.745 -0.408) 7.242 2.481 ( -2.167 -14.864 14.761) 21.061 2.523 ( -1.144 2.650 -4.343) 5.214 2.560 ( 2.954 -0.797 -3.779) 4.863 2.606 ( 3.245 -4.811 -1.169) 5.919 2.667 ( 1.913 -8.906 5.437) 10.608 2.672 ( 0.829 0.121 3.282) 3.387 2.698 ( -1.604 1.444 -4.778) 5.243 2.799 ( 1.599 -3.109 1.203) 3.697 2.838 ( -0.997 -2.311 0.775) 2.634 2.893 ( 3.163 3.511 -1.851) 5.075 2.906 ( -2.200 4.609 -5.644) 7.612 2.925 ( 6.990 -0.042 -1.851) 7.231 3.017 ( 3.428 0.097 -1.112) 3.605 3.038 ( -3.581 -3.937 -3.082) 6.151 3.062 ( -0.697 -1.577 -2.467) 3.009 3.096 ( 2.108 -3.865 -2.184) 4.914 3.106 ( -0.162 -2.728 -1.128) 2.956 3.142 ( 2.840 -0.010 -1.045) 3.026 3.146 ( 1.306 0.184 -0.574) 1.438 3.190 ( 7.010 0.750 -7.673) 10.421 3.207 ( 7.590 0.213 -7.372) 10.583 3.264 ( 6.739 4.614 -3.570) 8.913 3.339 ( 2.951 -1.317 0.246) 3.241 3.359 ( 2.126 0.869 -0.728) 2.409 3.383 ( 4.380 -1.378 2.263) 5.119 3.412 ( -0.759 4.603 0.922) 4.755 3.493 ( 0.325 0.020 4.305) 4.317 3.528 ( -1.052 -1.129 3.116) 3.477 3.567 ( 0.279 -1.113 1.790) 2.126 3.619 ( -4.261 1.563 1.345) 4.734 3.640 ( -4.691 -0.137 2.935) 5.535 3.773 ( -3.657 18.218 8.368) 20.379 3.910 ( -0.548 4.621 1.503) 4.890 4.022 ( 1.861 -4.849 -1.279) 5.349 4.063 ( -1.367 -6.060 0.638) 6.245 4.177 ( -1.658 2.354 1.126) 3.092 4.206 ( 0.380 -4.374 1.485) 4.634 4.264 ( 4.737 0.839 -4.963) 6.912 4.356 ( 4.235 -5.713 -3.031) 7.731 4.469 ( 1.378 5.345 -1.779) 5.799 4.567 ( 2.375 -3.482 -0.480) 4.242 4.625 ( -2.993 -0.919 0.234) 3.140 4.658 ( -1.218 -1.668 -1.116) 2.348 4.817 ( 3.466 2.857 -6.740) 8.100 4.852 ( 3.257 -0.776 -6.323) 7.155 5.759 ( 1.838 2.888 -0.481) 3.457 5.781 ( 3.527 2.077 -0.243) 4.100 5.813 ( 0.002 -1.602 -0.092) 1.605 5.843 ( 1.937 -2.934 -0.779) 3.600 6.038 ( -1.672 2.194 1.952) 3.379 6.089 ( -0.535 -2.926 1.115) 3.177 6.258 ( -0.234 1.144 -1.033) 1.559 6.277 ( -0.370 -0.529 -1.300) 1.451 6.321 ( -1.366 0.900 1.293) 2.085 6.341 ( -0.824 -0.895 1.368) 1.831 6.396 ( 1.781 1.474 -1.519) 2.766 6.411 ( 0.338 0.435 -0.279) 0.618 6.432 ( 0.177 1.515 0.444) 1.589 6.478 ( 0.424 -1.975 1.442) 2.482 6.572 ( -0.784 0.834 0.024) 1.145 6.588 ( -1.005 0.621 -0.078) 1.184 6.610 ( -0.515 -0.231 0.492) 0.749 6.640 ( 0.780 -1.710 0.329) 1.908 6.820 ( 1.730 3.373 -1.460) 4.062 6.894 ( 1.330 -4.130 -2.682) 5.101 6.996 ( -2.497 3.009 -3.468) 5.226 7.029 ( -1.053 -0.180 -2.898) 3.088 7.169 ( -3.086 0.478 -1.883) 3.647 7.195 ( -1.935 -1.926 -4.063) 4.895 7.508 ( -1.482 3.872 1.269) 4.336 7.598 ( -1.188 -5.013 -0.909) 5.232 7.728 ( 0.500 3.441 -4.836) 5.956 7.789 ( 0.687 -2.424 -5.269) 5.840 8.418 ( 1.028 0.074 -0.738) 1.268 8.420 ( 0.613 -0.075 -0.723) 0.951 8.505 ( 0.616 1.808 -2.433) 3.093 8.539 ( 0.535 -1.581 -2.945) 3.385 8.884 ( -0.976 0.913 -1.460) 1.980 8.902 ( -0.978 -0.811 -1.270) 1.797 9.016 ( -1.823 1.140 -0.474) 2.202 9.040 ( -2.197 -1.247 -0.696) 2.621 9.129 ( 1.672 0.872 1.517) 2.420 9.147 ( 1.935 -0.831 1.055) 2.355 9.277 ( 1.904 2.590 5.732) 6.572 9.338 ( 0.805 -3.700 2.942) 4.795 9.548 ( -2.077 3.304 0.978) 4.023 9.603 ( -1.709 -2.269 -0.705) 2.927 9.672 ( -0.356 0.865 -3.412) 3.538 9.691 ( -1.009 -0.977 -3.692) 3.950 9.873 ( 1.151 1.822 0.807) 2.301 9.917 ( 1.755 -2.713 0.617) 3.290 10.025 ( -0.468 2.041 -0.104) 2.097 10.059 ( 0.367 -1.511 0.114) 1.559 10.193 ( 3.275 1.030 2.734) 4.388 10.216 ( 4.308 -1.250 1.329) 4.678 10.541 ( 7.058 2.967 9.489) 12.193 10.597 ( 9.050 -2.619 7.929) 12.313 ======================= Grid point 63 (37/50) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( -4.867 0.000 8.905) 10.149 1.845 ( -2.375 0.000 13.111) 13.324 1.930 ( 4.623 0.000 13.929) 14.677 1.938 ( -3.758 0.000 22.040) 22.358 2.037 ( 1.064 0.000 -0.579) 1.211 2.174 ( -5.640 0.000 -0.756) 5.690 2.212 ( -7.381 0.000 0.837) 7.429 2.287 ( -4.627 0.000 5.392) 7.105 2.386 ( -0.008 0.000 -5.099) 5.099 2.391 ( -2.011 0.000 -5.418) 5.779 2.470 ( -2.226 0.000 -4.235) 4.784 2.484 ( 3.101 0.000 -1.186) 3.320 2.576 ( 4.857 0.000 -0.018) 4.857 2.604 ( -1.513 0.000 4.015) 4.291 2.628 ( -0.494 0.000 -2.655) 2.700 2.685 ( -3.139 0.000 -0.401) 3.165 2.707 ( -0.311 0.000 -5.036) 5.046 2.735 ( 0.012 0.000 0.705) 0.705 2.809 ( 1.018 0.000 -1.595) 1.892 2.818 ( 0.814 0.000 -0.162) 0.830 2.860 ( 1.575 0.000 1.169) 1.961 2.864 ( -5.965 0.000 -4.231) 7.313 2.911 ( 7.085 0.000 6.761) 9.794 3.039 ( -6.864 0.000 3.463) 7.688 3.050 ( -5.946 0.000 -1.367) 6.101 3.092 ( 0.054 0.000 -1.665) 1.666 3.107 ( 6.729 0.000 2.397) 7.143 3.132 ( 6.244 0.000 -2.263) 6.641 3.224 ( 5.245 0.000 -0.543) 5.273 3.237 ( -1.339 0.000 0.203) 1.354 3.263 ( 3.755 0.000 3.548) 5.166 3.269 ( 2.124 0.000 0.032) 2.124 3.356 ( -1.174 0.000 2.212) 2.504 3.445 ( 2.489 0.000 -3.377) 4.195 3.454 ( -3.142 0.000 4.821) 5.754 3.472 ( 0.411 0.000 5.608) 5.623 3.542 ( -1.882 0.000 0.647) 1.990 3.543 ( -1.186 0.000 -0.343) 1.235 3.646 ( 3.861 0.000 4.650) 6.044 3.664 ( 0.529 0.000 3.927) 3.963 3.671 ( -0.289 0.000 10.303) 10.307 3.729 ( -2.108 0.000 2.992) 3.660 3.744 ( 2.518 0.000 1.697) 3.037 3.894 ( 1.887 0.000 -13.965) 14.092 3.962 ( -0.903 0.000 -0.292) 0.949 3.985 ( -0.884 0.000 2.267) 2.433 4.053 ( 8.336 0.000 -7.303) 11.082 4.148 ( 1.511 0.000 -11.571) 11.670 4.195 ( 3.823 0.000 1.227) 4.015 4.283 ( -0.535 0.000 -6.015) 6.039 4.417 ( 1.899 0.000 1.206) 2.249 4.468 ( -2.698 0.000 -5.011) 5.691 4.621 ( 0.307 0.000 2.858) 2.875 4.712 ( 3.212 0.000 -4.639) 5.643 4.719 ( 0.697 0.000 1.580) 1.726 4.771 ( -0.757 0.000 -3.302) 3.388 5.782 ( 1.255 0.000 0.608) 1.394 5.807 ( -0.011 0.000 -1.504) 1.504 5.842 ( -1.269 0.000 1.452) 1.929 5.868 ( 2.191 0.000 -0.799) 2.332 6.066 ( -1.657 0.000 2.797) 3.251 6.112 ( 1.589 0.000 -1.524) 2.202 6.237 ( -0.104 0.000 0.544) 0.554 6.270 ( -0.378 0.000 -1.509) 1.555 6.306 ( -1.889 0.000 1.647) 2.507 6.344 ( 0.339 0.000 -1.355) 1.397 6.368 ( -0.478 0.000 -0.175) 0.509 6.368 ( 0.332 0.000 -1.449) 1.486 6.420 ( 1.776 0.000 1.697) 2.457 6.469 ( -1.513 0.000 -2.582) 2.993 6.554 ( 0.307 0.000 0.170) 0.351 6.565 ( -0.950 0.000 -0.664) 1.159 6.694 ( 1.633 0.000 4.053) 4.370 6.707 ( 0.775 0.000 3.592) 3.675 6.775 ( -1.067 0.000 -1.584) 1.909 6.779 ( -2.921 0.000 -3.871) 4.850 6.940 ( 1.768 0.000 1.559) 2.357 6.985 ( -0.735 0.000 -0.897) 1.159 7.029 ( 0.053 0.000 -2.054) 2.054 7.043 ( -4.030 0.000 -1.693) 4.371 7.533 ( -1.037 0.000 3.226) 3.388 7.592 ( 1.587 0.000 -2.446) 2.915 7.622 ( -2.046 0.000 1.569) 2.579 7.679 ( 0.793 0.000 -3.876) 3.956 8.421 ( 0.086 0.000 0.377) 0.387 8.438 ( 0.395 0.000 0.775) 0.870 8.439 ( -0.110 0.000 -1.226) 1.231 8.470 ( -0.320 0.000 -2.162) 2.186 8.863 ( 1.898 0.000 0.806) 2.062 8.896 ( -2.968 0.000 -2.177) 3.681 8.905 ( 1.391 0.000 0.967) 1.694 8.933 ( -2.283 0.000 -1.546) 2.757 9.248 ( 3.886 0.000 1.746) 4.261 9.270 ( -4.714 0.000 -0.296) 4.723 9.273 ( 4.082 0.000 1.795) 4.459 9.299 ( -4.455 0.000 -0.474) 4.480 9.581 ( -3.822 0.000 4.521) 5.921 9.619 ( -3.774 0.000 2.795) 4.696 9.671 ( 4.752 0.000 -3.790) 6.078 9.678 ( 5.097 0.000 -2.483) 5.670 9.936 ( -0.103 0.000 2.303) 2.305 9.984 ( 1.200 0.000 -1.964) 2.302 9.989 ( -0.333 0.000 1.633) 1.666 10.032 ( 0.237 0.000 -2.474) 2.485 10.319 ( 0.279 0.000 1.760) 1.783 10.337 ( 2.653 0.000 0.046) 2.653 10.835 ( 0.834 0.000 4.242) 4.323 10.887 ( 3.559 0.000 -0.815) 3.651 ======================= Grid point 64 (38/50) ======================= q-point: ( 0.14 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( -0.457 0.000 13.129) 13.137 1.886 ( -4.928 0.000 0.709) 4.979 1.978 ( 3.596 0.000 15.645) 16.053 1.983 ( -8.500 0.000 22.433) 23.989 2.075 ( 1.560 0.000 -11.692) 11.796 2.123 ( -6.836 0.000 7.397) 10.072 2.186 ( -7.580 0.000 -2.072) 7.859 2.194 ( -4.532 0.000 -9.806) 10.802 2.280 ( 2.645 0.000 12.010) 12.298 2.300 ( -3.262 0.000 -0.965) 3.402 2.410 ( -5.490 0.000 3.798) 6.676 2.443 ( -6.424 0.000 -2.402) 6.858 2.487 ( -10.133 0.000 1.254) 10.211 2.549 ( -1.215 0.000 1.466) 1.904 2.579 ( -3.061 0.000 -8.903) 9.415 2.620 ( -5.340 0.000 -2.398) 5.854 2.628 ( -3.018 0.000 -8.199) 8.737 2.722 ( 2.796 0.000 2.067) 3.477 2.794 ( -2.657 0.000 1.588) 3.096 2.797 ( -3.512 0.000 -2.750) 4.461 2.841 ( -7.917 0.000 0.816) 7.959 2.923 ( -0.167 0.000 -0.250) 0.301 2.954 ( 3.871 0.000 0.146) 3.874 2.960 ( 0.380 0.000 1.920) 1.957 3.000 ( -2.207 0.000 -0.366) 2.238 3.079 ( -5.292 0.000 0.071) 5.292 3.137 ( -1.533 0.000 -2.481) 2.917 3.170 ( -1.139 0.000 -7.120) 7.211 3.196 ( 4.228 0.000 -2.608) 4.968 3.222 ( 4.532 0.000 -0.425) 4.552 3.310 ( -0.401 0.000 3.885) 3.905 3.338 ( -2.728 0.000 -4.699) 5.434 3.340 ( -1.819 0.000 9.211) 9.389 3.435 ( 0.149 0.000 2.143) 2.148 3.452 ( 0.430 0.000 -2.587) 2.622 3.504 ( 3.747 0.000 5.961) 7.040 3.543 ( -1.219 0.000 3.013) 3.250 3.594 ( 0.530 0.000 -1.961) 2.031 3.696 ( 0.645 0.000 1.142) 1.312 3.716 ( 5.548 0.000 0.420) 5.564 3.736 ( 2.126 0.000 0.560) 2.199 3.764 ( 4.334 0.000 -18.650) 19.147 3.829 ( 4.174 0.000 8.567) 9.529 3.912 ( 6.620 0.000 -0.877) 6.678 3.914 ( -0.828 0.000 -5.766) 5.825 4.011 ( 1.085 0.000 2.328) 2.569 4.075 ( 0.124 0.000 -9.270) 9.271 4.142 ( 5.258 0.000 -7.781) 9.391 4.243 ( 0.929 0.000 -4.010) 4.116 4.322 ( 7.182 0.000 -0.563) 7.204 4.426 ( 1.572 0.000 -0.404) 1.623 4.495 ( 3.548 0.000 1.783) 3.971 4.606 ( -2.259 0.000 1.645) 2.794 4.675 ( -1.026 0.000 -6.574) 6.654 4.795 ( 4.807 0.000 -2.559) 5.445 4.803 ( 5.053 0.000 0.897) 5.132 5.762 ( -3.076 0.000 0.177) 3.081 5.764 ( -2.266 0.000 -2.506) 3.378 5.835 ( -0.533 0.000 0.048) 0.535 5.880 ( 0.021 0.000 -1.833) 1.833 6.053 ( -1.586 0.000 1.837) 2.427 6.127 ( 0.957 0.000 -1.546) 1.818 6.233 ( -1.228 0.000 -0.699) 1.413 6.236 ( -1.044 0.000 1.438) 1.778 6.291 ( -1.368 0.000 1.232) 1.841 6.326 ( -1.459 0.000 0.374) 1.506 6.364 ( 0.043 0.000 0.332) 0.335 6.396 ( 2.350 0.000 -0.802) 2.483 6.440 ( 0.890 0.000 -2.300) 2.466 6.468 ( 1.168 0.000 2.267) 2.550 6.541 ( -1.058 0.000 0.962) 1.430 6.579 ( 1.881 0.000 0.668) 1.996 6.707 ( -1.480 0.000 -1.357) 2.008 6.744 ( -0.397 0.000 -1.842) 1.884 6.763 ( 1.979 0.000 2.030) 2.835 6.769 ( 2.025 0.000 4.530) 4.962 6.928 ( -2.217 0.000 -1.642) 2.759 6.955 ( -3.883 0.000 -0.866) 3.978 7.002 ( 2.319 0.000 3.673) 4.343 7.068 ( 1.649 0.000 2.743) 3.201 7.536 ( -0.836 0.000 2.427) 2.567 7.600 ( 1.345 0.000 -3.376) 3.635 7.607 ( -1.503 0.000 3.472) 3.783 7.672 ( 0.999 0.000 -1.980) 2.218 8.422 ( -0.370 0.000 0.438) 0.574 8.426 ( -0.294 0.000 -0.771) 0.825 8.445 ( -0.393 0.000 0.967) 1.044 8.446 ( -0.601 0.000 -1.612) 1.720 8.848 ( -0.500 0.000 -0.976) 1.097 8.898 ( -0.151 0.000 -0.549) 0.569 8.917 ( 2.031 0.000 2.420) 3.159 8.950 ( 1.681 0.000 2.030) 2.636 9.179 ( -4.289 0.000 -0.533) 4.322 9.202 ( -4.801 0.000 -0.734) 4.857 9.318 ( 0.888 0.000 2.495) 2.648 9.345 ( 1.142 0.000 1.685) 2.035 9.544 ( -2.679 0.000 3.238) 4.203 9.566 ( -2.792 0.000 1.599) 3.217 9.721 ( 3.925 0.000 -4.534) 5.997 9.742 ( 3.797 0.000 -4.029) 5.536 9.934 ( -1.570 0.000 1.357) 2.075 9.975 ( 0.152 0.000 -3.406) 3.410 9.994 ( -0.622 0.000 2.136) 2.225 10.021 ( 0.748 0.000 -2.062) 2.193 10.304 ( -1.842 0.000 -1.798) 2.574 10.352 ( 0.082 0.000 -3.176) 3.177 10.808 ( -4.685 0.000 -1.038) 4.799 10.866 ( -2.814 0.000 -5.404) 6.093 ======================= Grid point 65 (39/50) ======================= q-point: ( 0.29 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( -5.325 0.000 6.164) 8.146 1.876 ( -1.757 0.000 -5.139) 5.431 1.948 ( -6.543 0.000 -19.644) 20.705 1.991 ( 0.896 0.000 -0.962) 1.315 2.031 ( 2.159 0.000 14.569) 14.728 2.093 ( -12.328 0.000 3.310) 12.765 2.117 ( -5.987 0.000 -0.141) 5.988 2.129 ( -1.058 0.000 10.702) 10.754 2.141 ( -0.628 0.000 3.756) 3.808 2.265 ( -6.732 0.000 -1.794) 6.967 2.289 ( -6.528 0.000 2.922) 7.153 2.338 ( 6.236 0.000 6.939) 9.330 2.435 ( -8.556 0.000 1.242) 8.646 2.454 ( -1.996 0.000 -6.047) 6.367 2.527 ( -7.407 0.000 2.754) 7.902 2.534 ( -0.975 0.000 4.540) 4.644 2.602 ( 1.571 0.000 -1.740) 2.344 2.625 ( -6.310 0.000 -6.542) 9.089 2.666 ( -4.103 0.000 -3.431) 5.348 2.719 ( -6.214 0.000 -2.916) 6.864 2.767 ( 1.447 0.000 4.651) 4.871 2.803 ( -1.969 0.000 -2.994) 3.584 2.935 ( 0.111 0.000 -6.592) 6.593 3.014 ( -1.728 0.000 -4.862) 5.160 3.056 ( -2.105 0.000 -1.167) 2.407 3.073 ( 1.283 0.000 0.964) 1.605 3.099 ( -0.011 0.000 -0.822) 0.822 3.115 ( -0.375 0.000 -1.981) 2.016 3.161 ( 1.033 0.000 3.249) 3.409 3.183 ( -4.065 0.000 -0.057) 4.065 3.264 ( -2.820 0.000 -0.235) 2.829 3.328 ( -1.770 0.000 -1.886) 2.586 3.408 ( -1.900 0.000 -1.156) 2.224 3.438 ( 4.256 0.000 -5.891) 7.268 3.459 ( 0.454 0.000 2.023) 2.073 3.519 ( -1.589 0.000 -4.186) 4.478 3.599 ( 1.739 0.000 -0.157) 1.746 3.619 ( 4.409 0.000 4.350) 6.193 3.657 ( 0.354 0.000 -10.941) 10.947 3.695 ( -1.387 0.000 -0.231) 1.406 3.809 ( 3.712 0.000 5.392) 6.546 3.837 ( -3.259 0.000 4.100) 5.237 3.859 ( 8.629 0.000 -11.273) 14.197 3.973 ( 2.082 0.000 6.160) 6.502 4.004 ( 2.763 0.000 -7.130) 7.647 4.024 ( -0.598 0.000 -1.046) 1.205 4.045 ( 3.122 0.000 2.133) 3.782 4.153 ( 4.687 0.000 -11.510) 12.428 4.248 ( 0.617 0.000 0.678) 0.917 4.404 ( 2.343 0.000 -1.735) 2.916 4.483 ( 1.884 0.000 -1.237) 2.254 4.540 ( -2.883 0.000 5.115) 5.872 4.594 ( 2.146 0.000 -1.766) 2.780 4.653 ( 2.722 0.000 -0.134) 2.725 4.868 ( 4.200 0.000 -2.929) 5.121 4.891 ( 3.824 0.000 -1.322) 4.046 5.698 ( -2.168 0.000 -2.468) 3.285 5.699 ( -2.601 0.000 -0.644) 2.680 5.816 ( -0.995 0.000 -0.391) 1.069 5.854 ( -1.074 0.000 -1.254) 1.651 6.045 ( -0.501 0.000 2.231) 2.286 6.126 ( 0.537 0.000 -1.718) 1.799 6.220 ( -0.816 0.000 1.112) 1.380 6.227 ( -0.261 0.000 -0.093) 0.277 6.266 ( -1.234 0.000 -0.080) 1.237 6.293 ( -2.196 0.000 0.736) 2.316 6.376 ( 0.912 0.000 0.505) 1.042 6.428 ( 1.204 0.000 -0.205) 1.221 6.445 ( -0.172 0.000 0.860) 0.877 6.494 ( 0.237 0.000 0.986) 1.014 6.564 ( 1.587 0.000 2.166) 2.685 6.622 ( 1.699 0.000 -0.139) 1.705 6.683 ( 0.186 0.000 -2.214) 2.221 6.727 ( 0.619 0.000 -2.284) 2.366 6.826 ( 2.561 0.000 2.423) 3.526 6.832 ( -0.140 0.000 4.572) 4.574 6.888 ( -0.847 0.000 -0.603) 1.040 6.889 ( -1.909 0.000 0.586) 1.997 7.079 ( 2.175 0.000 4.253) 4.777 7.117 ( 0.873 0.000 3.368) 3.480 7.538 ( -0.765 0.000 1.832) 1.986 7.590 ( 0.745 0.000 -3.820) 3.892 7.616 ( -0.846 0.000 4.528) 4.606 7.686 ( 1.419 0.000 -0.969) 1.719 8.415 ( -0.575 0.000 0.285) 0.642 8.420 ( 0.186 0.000 -0.459) 0.495 8.425 ( -0.148 0.000 -1.417) 1.425 8.438 ( -1.054 0.000 0.955) 1.422 8.866 ( 2.512 0.000 0.189) 2.519 8.925 ( 2.776 0.000 0.541) 2.828 8.963 ( 0.182 0.000 2.895) 2.900 8.991 ( 0.414 0.000 2.293) 2.330 9.106 ( -2.547 0.000 0.114) 2.550 9.115 ( -3.535 0.000 0.078) 3.535 9.288 ( -5.048 0.000 0.597) 5.083 9.315 ( -4.887 0.000 0.258) 4.894 9.550 ( 0.820 0.000 3.272) 3.373 9.568 ( 0.572 0.000 3.514) 3.561 9.753 ( 3.061 0.000 -4.950) 5.820 9.758 ( 1.790 0.000 -5.296) 5.590 9.906 ( -1.551 0.000 0.194) 1.563 9.946 ( 0.339 0.000 -4.453) 4.466 10.006 ( 0.039 0.000 2.974) 2.974 10.040 ( 2.326 0.000 -1.006) 2.535 10.228 ( -3.139 0.000 -4.332) 5.349 10.295 ( -2.098 0.000 -5.723) 6.096 10.659 ( -7.454 0.000 -4.903) 8.922 10.718 ( -6.368 0.000 -8.162) 10.352 ======================= Grid point 66 (40/50) ======================= q-point: (-0.57 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( -2.891 0.000 -14.534) 14.819 1.703 ( -12.555 0.000 -9.706) 15.869 1.764 ( -6.965 0.000 -1.918) 7.225 1.846 ( -2.906 0.000 -9.371) 9.812 1.965 ( -1.045 0.000 5.897) 5.989 2.048 ( 3.930 0.000 -0.523) 3.965 2.154 ( 2.341 0.000 1.613) 2.843 2.192 ( 1.949 0.000 5.376) 5.718 2.229 ( -0.901 0.000 1.841) 2.050 2.269 ( 0.547 0.000 6.207) 6.231 2.314 ( -1.763 0.000 4.154) 4.513 2.376 ( 10.255 0.000 15.287) 18.408 2.390 ( -4.945 0.000 -1.625) 5.205 2.391 ( -1.020 0.000 -4.782) 4.890 2.441 ( -1.107 0.000 -5.031) 5.151 2.528 ( 0.169 0.000 -1.995) 2.002 2.572 ( -1.986 0.000 -2.626) 3.293 2.579 ( -3.595 0.000 -5.708) 6.746 2.619 ( 9.596 0.000 10.686) 14.362 2.672 ( 2.308 0.000 1.888) 2.982 2.777 ( -2.202 0.000 0.845) 2.359 2.821 ( -3.057 0.000 -4.729) 5.632 2.843 ( -1.058 0.000 -6.953) 7.033 2.861 ( -1.713 0.000 -5.109) 5.389 2.994 ( -5.035 0.000 -5.632) 7.555 3.060 ( -1.820 0.000 -0.808) 1.991 3.069 ( -3.401 0.000 2.442) 4.186 3.109 ( 0.072 0.000 -1.276) 1.278 3.171 ( -0.198 0.000 0.269) 0.334 3.178 ( -3.274 0.000 -2.366) 4.039 3.201 ( 0.126 0.000 -0.042) 0.133 3.230 ( -3.006 0.000 -0.437) 3.038 3.372 ( -0.535 0.000 0.885) 1.034 3.433 ( -1.101 0.000 -3.898) 4.051 3.509 ( 3.893 0.000 -4.784) 6.168 3.517 ( 2.601 0.000 2.950) 3.933 3.597 ( -1.045 0.000 0.530) 1.172 3.631 ( -4.145 0.000 -1.148) 4.301 3.662 ( 3.064 0.000 -1.588) 3.451 3.664 ( -0.195 0.000 -1.113) 1.129 3.741 ( -10.536 0.000 10.236) 14.689 3.874 ( 1.920 0.000 -7.738) 7.972 3.913 ( -7.943 0.000 6.002) 9.955 4.004 ( 4.579 0.000 -9.493) 10.540 4.009 ( 5.471 0.000 2.070) 5.849 4.064 ( 1.927 0.000 5.566) 5.890 4.103 ( 0.310 0.000 -0.282) 0.420 4.177 ( 4.245 0.000 -5.934) 7.296 4.270 ( -0.201 0.000 3.723) 3.729 4.393 ( -0.119 0.000 -4.230) 4.231 4.492 ( -4.375 0.000 2.873) 5.234 4.493 ( 2.206 0.000 -2.884) 3.630 4.636 ( 2.175 0.000 0.254) 2.190 4.722 ( 2.332 0.000 0.668) 2.426 4.894 ( 0.263 0.000 -1.475) 1.498 4.921 ( -0.035 0.000 -0.606) 0.607 5.653 ( -0.637 0.000 -1.543) 1.670 5.662 ( -0.605 0.000 -1.213) 1.355 5.803 ( -0.110 0.000 0.280) 0.301 5.828 ( -0.694 0.000 -0.814) 1.070 6.068 ( 0.604 0.000 2.491) 2.564 6.127 ( 0.733 0.000 -1.449) 1.624 6.205 ( -1.585 0.000 1.125) 1.943 6.224 ( 0.582 0.000 -1.611) 1.713 6.259 ( 1.076 0.000 -0.703) 1.285 6.262 ( -1.151 0.000 0.271) 1.182 6.403 ( 0.941 0.000 1.033) 1.397 6.435 ( -0.437 0.000 0.055) 0.440 6.452 ( -0.089 0.000 1.998) 2.000 6.496 ( -0.347 0.000 0.020) 0.347 6.600 ( 0.289 0.000 1.897) 1.918 6.629 ( -0.291 0.000 -0.876) 0.923 6.672 ( -0.125 0.000 -1.215) 1.222 6.720 ( 0.149 0.000 -3.274) 3.277 6.829 ( -1.786 0.000 4.525) 4.864 6.880 ( 1.258 0.000 0.649) 1.416 6.903 ( 0.674 0.000 1.351) 1.510 6.904 ( 3.289 0.000 -0.924) 3.416 7.143 ( 1.596 0.000 2.563) 3.019 7.155 ( 0.985 0.000 1.864) 2.109 7.533 ( -1.111 0.000 1.716) 2.044 7.580 ( 1.119 0.000 -3.240) 3.427 7.641 ( -0.225 0.000 4.225) 4.231 7.707 ( 1.785 0.000 -1.697) 2.462 8.406 ( -0.549 0.000 0.205) 0.586 8.417 ( 0.530 0.000 -1.106) 1.227 8.425 ( -0.803 0.000 0.689) 1.058 8.432 ( 1.397 0.000 -0.965) 1.698 8.933 ( 3.552 0.000 0.576) 3.598 8.970 ( -0.978 0.000 2.056) 2.277 8.988 ( -1.367 0.000 0.558) 1.476 8.993 ( 3.006 0.000 -0.028) 3.006 9.076 ( -1.136 0.000 1.859) 2.179 9.102 ( 0.210 0.000 3.189) 3.196 9.180 ( -4.460 0.000 -1.941) 4.865 9.205 ( -4.556 0.000 -0.930) 4.650 9.597 ( -0.421 0.000 5.554) 5.569 9.607 ( -0.447 0.000 5.345) 5.364 9.744 ( 1.547 0.000 -5.396) 5.613 9.757 ( 1.611 0.000 -5.686) 5.910 9.893 ( 0.342 0.000 -0.602) 0.692 9.932 ( 1.689 0.000 -4.454) 4.763 10.048 ( 1.472 0.000 3.934) 4.200 10.077 ( 1.179 0.000 -0.302) 1.217 10.135 ( -2.635 0.000 -3.579) 4.444 10.200 ( -2.486 0.000 -5.347) 5.897 10.482 ( -6.185 0.000 -4.463) 7.626 10.530 ( -5.593 0.000 -7.639) 9.468 ======================= Grid point 67 (41/50) ======================= q-point: (-0.43 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( -11.013 0.000 5.185) 12.172 1.553 ( -8.120 0.000 6.732) 10.548 1.723 ( 9.161 0.000 -3.280) 9.731 1.838 ( 5.413 0.000 -5.668) 7.838 2.043 ( 2.397 0.000 -0.058) 2.398 2.117 ( 5.847 0.000 -6.575) 8.799 2.250 ( 1.512 0.000 -3.967) 4.246 2.255 ( 6.268 0.000 0.979) 6.344 2.270 ( -1.814 0.000 2.317) 2.942 2.307 ( 7.154 0.000 1.982) 7.423 2.350 ( 6.138 0.000 -2.896) 6.787 2.360 ( 2.255 0.000 -1.837) 2.908 2.365 ( 2.710 0.000 -0.032) 2.710 2.442 ( 4.142 0.000 -5.822) 7.145 2.518 ( 0.332 0.000 -4.454) 4.467 2.544 ( 4.680 0.000 -0.991) 4.784 2.583 ( 3.791 0.000 6.318) 7.368 2.639 ( -3.423 0.000 -7.805) 8.522 2.692 ( 0.475 0.000 3.780) 3.810 2.707 ( -1.687 0.000 3.247) 3.659 2.736 ( -5.793 0.000 -14.302) 15.431 2.783 ( 7.824 0.000 7.302) 10.702 2.815 ( 2.209 0.000 -2.586) 3.401 2.842 ( 4.764 0.000 -0.721) 4.818 2.920 ( -6.408 0.000 -9.185) 11.199 2.964 ( 8.469 0.000 5.398) 10.043 3.057 ( -1.146 0.000 3.312) 3.505 3.106 ( 0.445 0.000 1.283) 1.358 3.151 ( -2.403 0.000 5.903) 6.373 3.181 ( 0.191 0.000 0.715) 0.740 3.189 ( -1.195 0.000 -0.412) 1.264 3.190 ( -1.401 0.000 -1.780) 2.266 3.370 ( -1.297 0.000 2.791) 3.077 3.390 ( -1.669 0.000 -0.690) 1.806 3.495 ( -5.645 0.000 -3.319) 6.549 3.533 ( -15.028 0.000 10.542) 18.357 3.541 ( 0.119 0.000 -0.362) 0.381 3.590 ( 0.122 0.000 2.081) 2.084 3.594 ( 0.196 0.000 1.826) 1.837 3.679 ( -3.541 0.000 7.669) 8.447 3.679 ( -0.229 0.000 -1.122) 1.145 3.803 ( -7.984 0.000 7.580) 11.009 3.842 ( -2.705 0.000 1.513) 3.100 3.987 ( -3.305 0.000 -0.306) 3.320 4.037 ( -1.744 0.000 2.462) 3.017 4.107 ( 3.585 0.000 -8.586) 9.305 4.169 ( 3.718 0.000 -1.282) 3.933 4.169 ( 0.146 0.000 -2.492) 2.496 4.295 ( -0.538 0.000 5.632) 5.657 4.372 ( 1.954 0.000 -7.342) 7.598 4.435 ( -3.503 0.000 2.708) 4.428 4.537 ( 4.219 0.000 -1.949) 4.648 4.671 ( -0.440 0.000 3.460) 3.488 4.729 ( 0.886 0.000 -6.244) 6.306 4.864 ( -4.218 0.000 4.033) 5.836 4.879 ( -4.196 0.000 0.925) 4.297 5.652 ( 1.237 0.000 -0.440) 1.313 5.654 ( 0.833 0.000 -1.338) 1.576 5.815 ( 0.834 0.000 0.590) 1.022 5.818 ( 0.385 0.000 -0.987) 1.059 6.088 ( -0.630 0.000 1.935) 2.035 6.123 ( 0.153 0.000 -2.170) 2.175 6.195 ( 0.054 0.000 1.250) 1.251 6.231 ( 1.444 0.000 -1.428) 2.031 6.258 ( 0.884 0.000 -0.817) 1.204 6.288 ( 2.666 0.000 -1.888) 3.267 6.414 ( -1.448 0.000 -0.252) 1.470 6.421 ( -0.311 0.000 1.763) 1.790 6.470 ( 0.400 0.000 1.562) 1.613 6.483 ( -0.832 0.000 -0.197) 0.855 6.611 ( -0.330 0.000 1.418) 1.456 6.612 ( -0.926 0.000 0.092) 0.930 6.659 ( -1.198 0.000 1.707) 2.085 6.682 ( -1.678 0.000 -1.878) 2.518 6.840 ( -0.937 0.000 3.382) 3.509 6.909 ( 2.470 0.000 -2.734) 3.685 6.912 ( 0.335 0.000 -1.047) 1.100 6.948 ( 1.979 0.000 -2.357) 3.077 7.178 ( 1.105 0.000 -0.263) 1.136 7.182 ( 1.224 0.000 -1.064) 1.622 7.525 ( -1.162 0.000 1.924) 2.248 7.582 ( 1.455 0.000 -2.875) 3.223 7.667 ( 0.291 0.000 2.147) 2.166 7.724 ( 1.869 0.000 -3.493) 3.962 8.397 ( -0.413 0.000 0.350) 0.541 8.419 ( -0.348 0.000 0.249) 0.428 8.424 ( 1.045 0.000 -1.245) 1.626 8.457 ( 2.224 0.000 -2.052) 3.026 8.947 ( -2.406 0.000 -0.439) 2.446 8.973 ( -1.429 0.000 1.497) 2.069 8.989 ( 1.925 0.000 -0.305) 1.949 9.014 ( 0.503 0.000 -1.276) 1.371 9.113 ( 3.032 0.000 3.745) 4.819 9.115 ( -0.483 0.000 -1.434) 1.513 9.158 ( 3.752 0.000 3.463) 5.106 9.162 ( -0.082 0.000 -1.652) 1.654 9.613 ( -2.154 0.000 6.367) 6.722 9.639 ( -0.356 0.000 5.095) 5.107 9.729 ( 0.227 0.000 -6.327) 6.331 9.739 ( 1.644 0.000 -5.877) 6.103 9.885 ( -1.193 0.000 -0.362) 1.247 9.906 ( -1.488 0.000 -3.497) 3.800 10.079 ( 0.535 0.000 0.798) 0.960 10.087 ( -0.210 0.000 0.176) 0.274 10.113 ( 0.868 0.000 2.548) 2.691 10.137 ( -1.391 0.000 -3.183) 3.473 10.402 ( 0.076 0.000 2.985) 2.986 10.440 ( 1.079 0.000 -1.080) 1.527 ======================= Grid point 68 (42/50) ======================= q-point: (-0.29 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( 1.060 0.000 24.029) 24.053 1.516 ( -5.019 0.000 18.987) 19.639 1.895 ( 1.586 0.000 -3.434) 3.783 1.943 ( -0.106 0.000 3.575) 3.576 2.075 ( 12.827 0.000 2.264) 13.025 2.131 ( 1.902 0.000 -1.556) 2.458 2.268 ( -2.446 0.000 7.919) 8.288 2.305 ( -1.919 0.000 -9.215) 9.412 2.325 ( 12.301 0.000 -7.699) 14.512 2.401 ( 2.116 0.000 -8.338) 8.602 2.406 ( 4.392 0.000 -3.205) 5.437 2.434 ( 0.480 0.000 -5.122) 5.145 2.454 ( 0.740 0.000 8.450) 8.482 2.512 ( 7.160 0.000 -13.710) 15.467 2.565 ( 13.310 0.000 -2.988) 13.642 2.602 ( -2.940 0.000 -2.689) 3.984 2.623 ( 12.593 0.000 -5.491) 13.738 2.643 ( 4.949 0.000 -2.852) 5.712 2.663 ( -2.574 0.000 -15.951) 16.157 2.695 ( 8.774 0.000 -0.733) 8.804 2.758 ( 5.295 0.000 1.732) 5.571 2.829 ( -1.083 0.000 5.636) 5.739 2.844 ( 2.193 0.000 -3.064) 3.768 2.852 ( 7.389 0.000 4.730) 8.773 3.034 ( -3.059 0.000 4.087) 5.105 3.057 ( 3.275 0.000 1.597) 3.644 3.069 ( -9.839 0.000 10.763) 14.583 3.099 ( 1.064 0.000 -0.361) 1.123 3.172 ( -0.976 0.000 5.663) 5.746 3.175 ( 3.651 0.000 1.582) 3.979 3.189 ( -0.509 0.000 1.055) 1.171 3.237 ( 5.477 0.000 2.242) 5.918 3.314 ( -10.993 0.000 3.618) 11.573 3.346 ( -2.588 0.000 1.012) 2.778 3.398 ( 2.305 0.000 6.002) 6.429 3.412 ( -2.586 0.000 3.451) 4.313 3.509 ( -1.605 0.000 -1.209) 2.010 3.585 ( -2.525 0.000 3.958) 4.695 3.603 ( -3.325 0.000 2.806) 4.351 3.660 ( -0.711 0.000 2.623) 2.718 3.684 ( -5.534 0.000 15.899) 16.835 3.737 ( -3.289 0.000 3.726) 4.970 3.770 ( -8.238 0.000 7.458) 11.113 3.936 ( -0.172 0.000 -0.710) 0.730 4.007 ( -3.543 0.000 3.169) 4.754 4.067 ( 0.767 0.000 -8.310) 8.345 4.139 ( -3.074 0.000 -5.093) 5.949 4.192 ( 2.588 0.000 -3.841) 4.631 4.309 ( -1.843 0.000 -9.877) 10.047 4.352 ( 1.038 0.000 3.937) 4.072 4.400 ( -2.809 0.000 4.622) 5.409 4.610 ( 4.284 0.000 -2.318) 4.870 4.656 ( -3.478 0.000 1.473) 3.777 4.677 ( -0.359 0.000 -7.711) 7.719 4.796 ( -5.141 0.000 3.152) 6.031 4.813 ( -3.880 0.000 5.166) 6.461 5.677 ( 2.237 0.000 -0.314) 2.259 5.692 ( 3.063 0.000 0.095) 3.064 5.826 ( 1.227 0.000 -1.225) 1.734 5.837 ( 0.757 0.000 0.675) 1.014 6.082 ( -1.280 0.000 2.132) 2.486 6.104 ( 0.136 0.000 -2.650) 2.653 6.220 ( 1.356 0.000 0.748) 1.549 6.249 ( 1.200 0.000 -1.524) 1.939 6.282 ( 2.549 0.000 -1.768) 3.102 6.321 ( 1.788 0.000 -1.455) 2.305 6.387 ( -0.718 0.000 -0.569) 0.916 6.414 ( -1.586 0.000 1.272) 2.033 6.460 ( -1.617 0.000 0.007) 1.617 6.491 ( 0.713 0.000 0.816) 1.084 6.593 ( -1.368 0.000 0.125) 1.374 6.611 ( -0.654 0.000 0.690) 0.951 6.642 ( -1.084 0.000 0.066) 1.086 6.655 ( -1.288 0.000 3.568) 3.793 6.833 ( -1.812 0.000 1.966) 2.674 6.909 ( 0.832 0.000 -2.441) 2.578 6.926 ( 0.992 0.000 -2.896) 3.061 6.941 ( 1.000 0.000 -4.835) 4.937 7.172 ( -0.454 0.000 -4.020) 4.046 7.177 ( -0.386 0.000 -2.151) 2.185 7.521 ( -0.958 0.000 2.511) 2.687 7.586 ( 1.161 0.000 -2.810) 3.040 7.678 ( -0.195 0.000 -0.211) 0.287 7.720 ( 1.176 0.000 -5.079) 5.213 8.401 ( 0.418 0.000 0.643) 0.766 8.415 ( -0.132 0.000 0.037) 0.137 8.436 ( 1.257 0.000 -1.561) 2.004 8.480 ( 2.043 0.000 -2.850) 3.506 8.886 ( -2.600 0.000 -1.572) 3.038 8.935 ( -2.593 0.000 -0.214) 2.602 9.005 ( 0.432 0.000 -1.023) 1.110 9.032 ( 1.758 0.000 -1.147) 2.099 9.122 ( 1.276 0.000 -0.572) 1.398 9.131 ( -0.673 0.000 -1.978) 2.090 9.239 ( 5.764 0.000 4.560) 7.350 9.299 ( 6.977 0.000 1.908) 7.233 9.623 ( -2.139 0.000 6.444) 6.790 9.648 ( -3.249 0.000 -6.246) 7.040 9.664 ( -1.004 0.000 3.595) 3.733 9.676 ( -2.256 0.000 -6.068) 6.473 9.869 ( -0.324 0.000 2.207) 2.231 9.901 ( 2.353 0.000 0.690) 2.452 10.042 ( -2.991 0.000 -0.960) 3.141 10.066 ( -0.975 0.000 -2.203) 2.409 10.157 ( 3.804 0.000 1.929) 4.265 10.182 ( 2.851 0.000 4.573) 5.388 10.526 ( 5.996 0.000 9.378) 11.131 10.545 ( 7.125 0.000 5.155) 8.794 ======================= Grid point 69 (43/50) ======================= q-point: (-0.14 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( 2.160 0.000 24.665) 24.759 1.720 ( 4.258 0.000 26.958) 27.292 1.836 ( -4.342 0.000 1.664) 4.650 1.862 ( -6.690 0.000 6.596) 9.395 2.142 ( -1.863 0.000 -14.987) 15.102 2.252 ( 5.775 0.000 3.492) 6.749 2.261 ( -4.940 0.000 12.088) 13.058 2.338 ( -2.680 0.000 -1.283) 2.972 2.389 ( 6.220 0.000 -4.572) 7.719 2.395 ( -4.367 0.000 -13.316) 14.014 2.456 ( -1.566 0.000 3.001) 3.385 2.470 ( 9.817 0.000 1.405) 9.917 2.516 ( 1.571 0.000 -0.326) 1.604 2.527 ( 7.623 0.000 1.174) 7.713 2.607 ( 7.454 0.000 -1.441) 7.592 2.618 ( 6.422 0.000 -8.251) 10.456 2.662 ( 1.056 0.000 -7.503) 7.577 2.738 ( 6.308 0.000 -2.557) 6.806 2.786 ( 2.511 0.000 3.956) 4.686 2.829 ( 1.522 0.000 -4.287) 4.549 2.849 ( -0.820 0.000 -1.883) 2.054 2.887 ( 11.002 0.000 -5.057) 12.108 2.926 ( -5.054 0.000 7.338) 8.910 2.949 ( -2.972 0.000 2.183) 3.688 2.987 ( 10.868 0.000 -2.387) 11.127 3.062 ( 1.655 0.000 -0.851) 1.860 3.085 ( 5.145 0.000 1.820) 5.457 3.119 ( -1.493 0.000 -1.192) 1.910 3.171 ( -0.967 0.000 1.078) 1.448 3.171 ( -2.495 0.000 1.802) 3.078 3.218 ( 0.341 0.000 6.834) 6.842 3.266 ( 2.623 0.000 6.672) 7.169 3.269 ( -1.251 0.000 -0.492) 1.344 3.382 ( 1.472 0.000 7.195) 7.344 3.434 ( 0.332 0.000 6.431) 6.440 3.469 ( -3.405 0.000 -1.427) 3.692 3.532 ( 3.980 0.000 3.495) 5.297 3.559 ( 0.240 0.000 4.930) 4.936 3.586 ( -1.244 0.000 5.787) 5.919 3.657 ( -7.111 0.000 10.304) 12.520 3.668 ( -6.075 0.000 4.990) 7.862 3.701 ( -0.350 0.000 5.465) 5.476 3.750 ( -1.981 0.000 7.263) 7.529 3.961 ( 3.625 0.000 -3.616) 5.120 3.974 ( -2.474 0.000 6.013) 6.502 4.004 ( 1.948 0.000 -16.100) 16.218 4.023 ( -3.841 0.000 -4.551) 5.955 4.175 ( -2.813 0.000 1.817) 3.349 4.205 ( 2.132 0.000 -12.992) 13.166 4.333 ( -2.299 0.000 -0.863) 2.456 4.418 ( -0.929 0.000 2.787) 2.938 4.573 ( -3.269 0.000 -5.610) 6.493 4.590 ( -1.770 0.000 1.022) 2.044 4.677 ( 3.442 0.000 -3.379) 4.823 4.743 ( -3.149 0.000 2.503) 4.023 4.799 ( -0.697 0.000 0.546) 0.885 5.730 ( 2.859 0.000 0.696) 2.943 5.766 ( 4.041 0.000 0.049) 4.042 5.841 ( 1.155 0.000 -0.866) 1.444 5.849 ( -0.273 0.000 1.084) 1.118 6.075 ( -1.486 0.000 2.797) 3.167 6.097 ( 1.212 0.000 -2.177) 2.492 6.245 ( -0.177 0.000 -1.423) 1.434 6.254 ( 1.639 0.000 0.381) 1.683 6.321 ( 2.825 0.000 -2.158) 3.555 6.328 ( -0.638 0.000 0.237) 0.681 6.383 ( 0.754 0.000 -0.970) 1.229 6.387 ( -1.547 0.000 0.296) 1.575 6.418 ( -2.541 0.000 -0.019) 2.541 6.502 ( 0.035 0.000 -0.827) 0.828 6.564 ( -0.918 0.000 -0.969) 1.335 6.591 ( -1.392 0.000 -0.349) 1.435 6.648 ( 0.346 0.000 2.677) 2.699 6.670 ( -0.078 0.000 3.806) 3.807 6.807 ( -1.505 0.000 -0.174) 1.515 6.870 ( -2.583 0.000 -4.362) 5.070 6.911 ( 0.957 0.000 -0.854) 1.283 6.958 ( 2.439 0.000 -1.773) 3.015 7.105 ( -2.387 0.000 -5.352) 5.860 7.128 ( -2.722 0.000 -2.510) 3.703 7.526 ( -0.923 0.000 3.262) 3.390 7.585 ( 1.081 0.000 -2.563) 2.782 7.656 ( -1.683 0.000 -0.285) 1.707 7.698 ( 0.838 0.000 -5.000) 5.070 8.416 ( 0.170 0.000 0.175) 0.244 8.420 ( 0.805 0.000 0.736) 1.091 8.444 ( 0.752 0.000 -1.578) 1.748 8.487 ( 0.800 0.000 -2.796) 2.908 8.844 ( -0.306 0.000 -0.753) 0.813 8.895 ( -0.817 0.000 -0.243) 0.852 8.976 ( -2.420 0.000 -2.442) 3.438 8.998 ( -2.618 0.000 -2.795) 3.830 9.157 ( 3.706 0.000 1.478) 3.990 9.181 ( 3.836 0.000 1.134) 4.000 9.344 ( 0.180 0.000 2.086) 2.094 9.358 ( -1.746 0.000 -1.374) 2.222 9.605 ( 3.440 0.000 -2.367) 4.176 9.615 ( -3.511 0.000 5.370) 6.416 9.618 ( 1.702 0.000 -3.555) 3.941 9.656 ( -2.454 0.000 3.339) 4.144 9.904 ( 1.098 0.000 3.076) 3.266 9.957 ( 2.651 0.000 -0.610) 2.720 9.993 ( -1.506 0.000 0.562) 1.608 10.045 ( 0.325 0.000 -2.347) 2.370 10.257 ( 4.334 0.000 2.099) 4.816 10.270 ( 2.194 0.000 4.273) 4.803 10.718 ( 5.506 0.000 8.536) 10.157 10.748 ( 8.483 0.000 4.428) 9.569 ======================= Grid point 70 (44/50) ======================= q-point: ( 0.00 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( 0.661 -0.385 19.128) 19.143 1.779 ( 4.495 -7.724 23.280) 24.936 1.988 ( -4.475 7.166 6.620) 10.733 2.031 ( -3.712 2.929 4.097) 6.257 2.075 ( -6.842 4.412 13.490) 15.756 2.153 ( -5.594 -0.657 6.525) 8.619 2.190 ( -5.904 -1.947 -7.523) 9.759 2.258 ( -2.825 -7.022 -15.474) 17.226 2.374 ( -2.476 3.526 0.397) 4.327 2.416 ( -2.822 1.370 -1.763) 3.598 2.478 ( 4.691 0.861 -0.332) 4.781 2.507 ( -1.393 0.582 -1.009) 1.816 2.533 ( 2.797 -3.132 -5.616) 7.012 2.565 ( 3.184 -2.421 -5.223) 6.579 2.637 ( -2.894 0.540 3.965) 4.939 2.704 ( -3.280 -2.404 -0.594) 4.110 2.737 ( 0.384 5.850 1.994) 6.193 2.753 ( -0.616 0.542 -0.291) 0.871 2.782 ( -2.119 -2.879 -1.373) 3.829 2.812 ( -4.029 -0.417 -2.713) 4.875 2.874 ( 3.386 3.208 -2.505) 5.295 2.907 ( 2.006 0.580 -2.474) 3.237 2.957 ( 5.278 4.557 5.998) 9.198 3.018 ( -2.149 -1.498 2.084) 3.347 3.036 ( -1.509 0.120 1.205) 1.935 3.060 ( 0.606 -2.191 -0.780) 2.403 3.086 ( 3.646 -0.211 1.938) 4.134 3.119 ( 4.046 -1.669 0.012) 4.377 3.206 ( 1.269 0.721 5.365) 5.560 3.259 ( 4.427 1.122 2.465) 5.190 3.277 ( -0.931 -0.994 3.586) 3.836 3.320 ( 5.124 -4.020 2.955) 7.152 3.351 ( -0.096 3.451 -0.320) 3.467 3.375 ( 3.830 -1.935 1.143) 4.441 3.452 ( -4.699 -0.160 6.570) 8.079 3.493 ( -1.332 -1.368 6.928) 7.186 3.514 ( -3.957 -0.133 2.248) 4.553 3.528 ( -0.586 -4.050 5.048) 6.498 3.603 ( 1.667 3.882 0.352) 4.239 3.653 ( 2.694 -0.298 3.657) 4.553 3.682 ( 0.446 0.464 1.672) 1.792 3.709 ( 0.245 -1.413 1.296) 1.933 3.840 ( 2.014 3.343 -7.317) 8.293 3.876 ( 2.243 -1.368 -13.286) 13.543 3.952 ( -1.723 -0.505 0.119) 1.799 3.963 ( -0.421 -1.628 3.052) 3.485 4.094 ( 5.671 3.144 -7.766) 10.117 4.136 ( 2.578 -1.385 -11.990) 12.342 4.227 ( 1.934 2.974 0.469) 3.579 4.273 ( 0.219 -1.450 -3.426) 3.727 4.423 ( 0.325 1.052 0.699) 1.304 4.453 ( -2.134 -1.577 -2.338) 3.537 4.638 ( 1.065 1.636 1.605) 2.527 4.676 ( 1.303 -2.283 -0.538) 2.683 4.747 ( 2.376 1.625 -1.781) 3.385 4.769 ( 0.234 -0.520 -2.800) 2.857 5.788 ( 0.526 0.638 0.336) 0.892 5.801 ( -0.198 -0.609 -0.577) 0.862 5.844 ( 0.305 0.494 0.356) 0.681 5.860 ( 1.526 -0.891 -0.876) 1.973 6.077 ( -0.959 1.134 1.691) 2.250 6.101 ( 0.717 -1.164 -0.676) 1.525 6.230 ( -1.107 0.411 1.865) 2.207 6.256 ( -0.378 -1.858 1.043) 2.164 6.318 ( -0.867 1.416 -1.366) 2.150 6.339 ( 0.214 -0.757 -2.203) 2.340 6.370 ( 0.463 0.175 -0.448) 0.667 6.371 ( 0.438 0.128 -0.983) 1.083 6.441 ( 0.487 1.926 0.840) 2.157 6.468 ( -0.852 -0.571 -1.512) 1.827 6.554 ( -0.106 0.072 0.073) 0.147 6.559 ( -0.972 -0.487 -0.262) 1.118 6.700 ( 1.301 0.544 3.447) 3.724 6.707 ( 0.961 -0.115 3.653) 3.779 6.773 ( -1.240 -0.104 -2.603) 2.885 6.775 ( -2.029 -0.285 -2.892) 3.544 6.955 ( 1.388 1.380 1.340) 2.372 6.978 ( 0.512 -0.822 0.413) 1.052 7.024 ( -1.736 -0.131 -2.492) 3.040 7.033 ( -3.522 -0.850 -2.059) 4.168 7.550 ( -1.158 1.713 2.833) 3.507 7.584 ( -0.623 -1.405 0.909) 1.786 7.631 ( 0.228 1.472 -1.762) 2.307 7.663 ( 0.848 -1.575 -3.561) 3.985 8.422 ( 0.132 0.142 0.283) 0.343 8.427 ( 0.192 -0.447 0.113) 0.499 8.453 ( -0.045 0.780 -0.934) 1.218 8.466 ( -0.243 -0.508 -1.772) 1.860 8.858 ( 0.895 -0.120 0.034) 0.903 8.868 ( -0.319 -1.258 -0.767) 1.507 8.933 ( -0.964 1.192 -0.314) 1.565 8.941 ( -1.588 0.308 -0.890) 1.846 9.254 ( 3.637 0.494 1.761) 4.071 9.263 ( 2.306 -0.488 1.473) 2.780 9.282 ( -2.930 0.674 -0.014) 3.007 9.294 ( -4.238 -0.535 -0.420) 4.293 9.589 ( -3.792 0.887 4.120) 5.669 9.609 ( -3.755 -1.003 3.260) 5.073 9.673 ( 4.822 0.175 -3.546) 5.988 9.676 ( 4.999 -0.156 -2.891) 5.777 9.943 ( 0.093 0.724 2.012) 2.141 9.962 ( 0.369 -1.251 1.017) 1.654 10.010 ( 0.322 1.101 -1.282) 1.720 10.026 ( 0.251 -0.624 -2.193) 2.294 10.324 ( 0.871 0.432 1.420) 1.721 10.333 ( 2.057 -0.432 0.562) 2.176 10.846 ( 1.499 1.193 2.973) 3.537 10.872 ( 2.860 -1.353 0.450) 3.196 ======================= Grid point 71 (45/50) ======================= q-point: ( 0.14 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( -1.682 4.423 10.197) 11.242 1.894 ( -3.842 0.381 1.666) 4.205 1.985 ( -6.733 1.032 9.195) 11.443 2.005 ( 0.934 1.619 3.548) 4.010 2.060 ( -0.028 -1.232 -1.458) 1.909 2.073 ( -1.986 -3.009 1.208) 3.802 2.134 ( -5.314 -1.328 10.990) 12.280 2.192 ( 2.628 -6.833 20.307) 21.586 2.265 ( -8.849 3.845 3.510) 10.267 2.333 ( -4.556 0.197 -0.982) 4.665 2.361 ( -11.786 -1.052 1.948) 11.992 2.450 ( -6.454 -4.714 -4.484) 9.164 2.508 ( -4.105 2.536 -6.325) 7.955 2.530 ( -7.694 1.358 -2.254) 8.131 2.554 ( 2.856 0.951 -4.075) 5.066 2.634 ( -0.460 -1.368 -2.159) 2.597 2.687 ( -2.417 0.973 -2.744) 3.784 2.717 ( -3.686 1.923 -2.759) 4.990 2.750 ( -1.142 1.010 -1.046) 1.849 2.826 ( 2.106 -2.935 0.268) 3.623 2.885 ( -1.614 4.327 -0.103) 4.619 2.906 ( -2.569 0.739 -0.234) 2.684 2.956 ( 1.221 -2.060 -0.181) 2.401 2.960 ( -3.177 -2.967 2.260) 4.899 3.022 ( -2.464 3.331 -2.856) 5.032 3.063 ( -4.672 -0.940 -1.677) 5.052 3.134 ( -0.451 2.061 -2.201) 3.049 3.199 ( 0.070 -1.083 -2.323) 2.564 3.221 ( -2.531 0.739 -0.694) 2.727 3.231 ( -0.327 2.403 -4.161) 4.816 3.278 ( 1.467 0.603 -1.738) 2.353 3.321 ( -3.315 -1.378 -3.141) 4.770 3.367 ( 0.028 -2.220 0.341) 2.246 3.408 ( 4.154 -2.997 -1.837) 5.442 3.446 ( -1.149 5.103 10.492) 11.723 3.522 ( 0.733 0.729 6.106) 6.193 3.554 ( 1.424 0.688 3.547) 3.883 3.605 ( 1.751 -3.984 2.660) 5.100 3.652 ( 0.666 0.098 2.568) 2.655 3.694 ( 0.795 -2.485 0.758) 2.717 3.727 ( 6.814 0.810 -3.230) 7.585 3.751 ( 5.012 -1.199 -4.998) 7.179 3.854 ( 5.665 0.697 -7.277) 9.249 3.862 ( 2.899 -1.465 -9.497) 10.037 3.954 ( 1.169 2.714 3.830) 4.838 4.007 ( 1.803 -1.547 -0.103) 2.378 4.091 ( 1.545 1.691 -7.678) 8.013 4.125 ( 3.818 -1.683 -8.255) 9.249 4.261 ( 1.362 1.637 -2.280) 3.120 4.296 ( 4.616 -2.040 0.327) 5.057 4.448 ( 1.988 1.915 1.540) 3.160 4.482 ( 2.524 -1.459 2.790) 4.036 4.652 ( 1.469 4.606 -2.023) 5.241 4.716 ( 1.803 2.312 -4.032) 4.986 4.752 ( 2.889 -2.815 -2.482) 4.736 4.787 ( 2.491 -2.260 -1.674) 3.757 5.764 ( -2.641 0.231 -0.006) 2.651 5.766 ( -2.238 0.110 -1.320) 2.600 5.837 ( -0.775 0.541 -0.999) 1.375 5.860 ( -0.508 -1.641 -1.898) 2.560 6.074 ( -0.593 1.906 1.246) 2.353 6.110 ( 0.668 -1.692 -0.544) 1.899 6.226 ( -1.222 0.961 2.201) 2.695 6.257 ( -0.496 -1.469 0.530) 1.639 6.280 ( -1.553 1.444 -0.094) 2.123 6.313 ( -1.070 -1.452 -1.162) 2.145 6.380 ( 0.325 1.309 0.414) 1.411 6.396 ( 1.857 -0.238 -0.370) 1.909 6.442 ( 0.261 0.494 -1.057) 1.196 6.459 ( -0.033 -1.046 1.136) 1.545 6.552 ( 0.100 1.180 1.418) 1.847 6.574 ( 1.449 -0.772 1.123) 1.990 6.711 ( -1.314 0.657 -1.250) 1.929 6.729 ( -0.688 -1.081 -1.776) 2.190 6.767 ( 1.810 0.402 1.383) 2.313 6.773 ( 2.295 -0.029 3.362) 4.071 6.938 ( -2.185 0.838 -0.935) 2.520 6.951 ( -3.071 -0.480 -0.749) 3.197 7.015 ( 1.991 1.463 3.466) 4.256 7.049 ( 1.731 -1.824 3.015) 3.926 7.550 ( -0.987 1.401 2.562) 3.083 7.580 ( -0.871 -1.569 2.032) 2.712 7.628 ( 0.680 1.609 -1.876) 2.564 7.658 ( 0.955 -1.422 -2.217) 2.802 8.422 ( -0.303 0.054 0.073) 0.316 8.424 ( -0.255 -0.158 -0.384) 0.488 8.446 ( -0.526 0.105 -0.239) 0.587 8.447 ( -0.504 -0.009 -0.422) 0.658 8.848 ( -0.142 0.297 -0.554) 0.644 8.866 ( 0.337 -1.663 0.070) 1.698 8.946 ( 1.373 1.314 1.607) 2.489 8.955 ( 1.505 0.184 1.838) 2.383 9.185 ( -4.429 0.544 -0.603) 4.503 9.196 ( -4.681 -0.547 -0.710) 4.766 9.325 ( 0.915 0.715 2.342) 2.614 9.339 ( 1.042 -0.611 1.940) 2.285 9.549 ( -2.694 0.510 2.836) 3.945 9.560 ( -2.752 -0.573 2.017) 3.460 9.726 ( 3.919 0.479 -4.454) 5.951 9.736 ( 3.864 -0.513 -4.194) 5.725 9.940 ( -1.461 0.650 0.715) 1.752 9.958 ( -0.910 -1.165 -0.713) 1.641 10.008 ( 0.310 0.794 -0.406) 0.944 10.018 ( 0.688 -0.353 -1.602) 1.779 10.316 ( -1.410 1.171 -2.120) 2.803 10.340 ( -0.456 -1.179 -2.810) 3.081 10.822 ( -4.134 1.396 -2.122) 4.852 10.851 ( -3.206 -1.459 -4.303) 5.561 ======================= Grid point 72 (46/50) ======================= q-point: ( 0.29 0.33 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( -3.273 -1.839 -7.457) 8.349 1.798 ( -1.623 -3.025 -6.939) 7.741 1.986 ( -0.017 2.052 5.162) 5.555 2.008 ( -2.270 0.030 5.484) 5.935 2.045 ( -6.744 -0.683 3.122) 7.463 2.073 ( -9.813 -1.480 2.815) 10.315 2.095 ( -3.864 1.547 6.342) 7.586 2.119 ( -3.592 -1.270 11.852) 12.449 2.217 ( -7.259 -0.325 1.710) 7.465 2.241 ( -5.867 0.800 -3.963) 7.125 2.319 ( -2.147 4.530 1.842) 5.341 2.346 ( -0.030 2.601 0.382) 2.629 2.415 ( -0.235 -2.257 -7.613) 7.944 2.459 ( 1.750 -3.065 6.962) 7.805 2.526 ( -1.896 4.908 1.194) 5.396 2.555 ( -3.255 3.073 -0.602) 4.517 2.618 ( -5.201 -3.301 -1.355) 6.307 2.642 ( -0.015 0.529 1.623) 1.707 2.726 ( -8.387 -0.822 -6.974) 10.939 2.753 ( -3.436 1.893 -1.498) 4.199 2.789 ( -1.158 6.902 -2.483) 7.426 2.832 ( -2.162 -0.003 -4.114) 4.648 2.860 ( -0.671 0.103 -1.778) 1.903 2.990 ( -0.173 -6.270 0.812) 6.325 3.003 ( -2.161 -1.842 -0.838) 2.960 3.053 ( -1.722 -3.734 -1.530) 4.387 3.081 ( -1.189 1.251 0.361) 1.763 3.087 ( -2.209 -1.135 -1.529) 2.916 3.169 ( -0.649 -0.597 -0.417) 0.976 3.187 ( -1.886 -2.111 -4.402) 5.234 3.248 ( -2.286 1.573 -2.542) 3.763 3.295 ( -0.260 -2.275 -1.379) 2.673 3.387 ( 2.336 -0.556 -0.734) 2.511 3.409 ( -0.557 -1.935 -0.644) 2.114 3.513 ( 1.622 2.767 -2.273) 3.931 3.544 ( -0.001 1.309 0.412) 1.373 3.598 ( 0.449 0.876 -0.041) 0.985 3.628 ( -0.653 -1.548 -0.689) 1.816 3.667 ( 1.869 2.772 -1.191) 3.549 3.699 ( 0.063 -0.536 -3.375) 3.418 3.804 ( 1.965 -0.978 -3.755) 4.350 3.816 ( 4.347 -1.948 -5.158) 7.021 3.887 ( 6.385 3.688 1.185) 7.468 3.951 ( 5.626 -2.558 -0.980) 6.257 4.006 ( -0.535 0.744 2.567) 2.726 4.020 ( 1.702 -0.141 0.033) 1.708 4.077 ( 0.765 2.390 -2.495) 3.538 4.127 ( 2.567 -2.513 -7.037) 7.901 4.285 ( 0.954 3.773 1.295) 4.102 4.366 ( 1.396 -4.041 0.411) 4.295 4.504 ( 1.553 2.084 0.750) 2.705 4.533 ( -0.079 -0.875 3.666) 3.770 4.678 ( 3.505 7.601 -3.821) 9.201 4.702 ( 0.692 4.879 -1.246) 5.083 4.813 ( 2.746 -5.279 -2.824) 6.587 4.827 ( 4.442 -6.382 -2.562) 8.187 5.710 ( -2.181 1.035 -1.017) 2.619 5.714 ( -1.879 0.914 -1.026) 2.328 5.803 ( -1.438 -0.508 -1.150) 1.910 5.824 ( -1.365 -2.349 -1.463) 3.085 6.077 ( 0.048 2.632 1.326) 2.948 6.117 ( 0.512 -1.307 -0.611) 1.531 6.216 ( -0.919 0.734 0.959) 1.518 6.239 ( -1.175 -0.950 -0.387) 1.560 6.265 ( -0.323 1.273 0.610) 1.448 6.289 ( -1.017 -0.787 0.326) 1.327 6.389 ( 0.232 1.441 0.999) 1.769 6.419 ( 0.248 -1.327 0.999) 1.680 6.449 ( 0.611 0.970 0.147) 1.155 6.476 ( 0.695 -1.570 0.614) 1.824 6.581 ( 1.125 1.673 2.028) 2.860 6.614 ( 1.407 -1.276 0.809) 2.064 6.685 ( -0.120 0.549 -1.773) 1.860 6.707 ( -0.037 -1.710 -1.257) 2.123 6.798 ( 0.020 0.246 -0.562) 0.614 6.823 ( 0.807 -1.981 -0.652) 2.236 6.911 ( -0.744 2.207 3.221) 3.974 6.923 ( 0.417 1.033 2.263) 2.522 7.085 ( 1.921 0.788 3.978) 4.487 7.106 ( 1.252 -1.150 3.568) 3.952 7.552 ( -0.786 1.438 2.284) 2.811 7.582 ( -0.374 -1.336 1.486) 2.033 7.627 ( 0.390 1.648 -0.725) 1.842 7.665 ( 1.176 -2.012 -1.445) 2.742 8.415 ( -0.210 0.111 -0.194) 0.307 8.418 ( 0.131 -0.170 -0.420) 0.472 8.429 ( -0.562 0.381 -0.533) 0.863 8.436 ( -0.922 -0.248 0.518) 1.086 8.872 ( 2.518 0.826 0.664) 2.732 8.898 ( 2.516 -1.853 1.190) 3.344 8.983 ( 0.451 1.188 1.982) 2.354 8.994 ( 0.482 0.031 2.076) 2.132 9.108 ( -2.834 0.181 0.083) 2.841 9.112 ( -3.328 -0.269 0.060) 3.339 9.295 ( -5.030 0.691 0.541) 5.106 9.309 ( -4.956 -0.635 0.370) 5.010 9.554 ( 0.745 0.408 3.356) 3.462 9.563 ( 0.618 -0.446 3.478) 3.560 9.755 ( 2.809 0.155 -5.042) 5.774 9.757 ( 2.160 -0.062 -5.251) 5.679 9.909 ( -1.278 0.485 -0.574) 1.482 9.927 ( -0.484 -1.345 -2.413) 2.804 10.022 ( 0.958 1.101 1.107) 1.832 10.036 ( 1.945 -0.443 -0.379) 2.031 10.244 ( -2.972 1.535 -4.676) 5.750 10.277 ( -2.463 -1.725 -5.358) 6.144 10.675 ( -7.089 1.499 -5.736) 9.241 10.704 ( -6.563 -1.335 -7.355) 9.947 ======================= Grid point 73 (47/50) ======================= q-point: (-0.57 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( 1.303 4.148 -10.243) 11.127 1.755 ( -12.099 4.819 -3.178) 13.406 1.784 ( 1.484 -3.183 -1.845) 3.967 1.903 ( -7.326 -7.860 2.360) 11.001 1.981 ( -3.417 9.458 -9.119) 13.575 2.003 ( -4.459 3.570 -5.032) 7.612 2.141 ( 2.914 1.089 6.883) 7.554 2.169 ( 2.982 -2.268 6.604) 7.593 2.188 ( 1.632 -1.448 4.101) 4.645 2.255 ( 2.021 -5.146 6.223) 8.324 2.286 ( 1.405 -0.598 1.776) 2.342 2.320 ( 2.290 -3.114 3.037) 4.915 2.369 ( 1.575 -3.085 -5.208) 6.254 2.426 ( -1.471 -6.823 -1.838) 7.218 2.470 ( -2.962 1.691 -0.014) 3.411 2.486 ( -3.650 1.251 -5.378) 6.618 2.554 ( -2.422 1.637 -3.628) 4.659 2.590 ( -3.953 5.546 -7.828) 10.376 2.671 ( -4.081 -4.571 -9.724) 11.494 2.737 ( 7.427 6.220 8.502) 12.889 2.772 ( 4.177 4.863 1.637) 6.616 2.803 ( -5.951 -0.945 -1.289) 6.162 2.872 ( -2.382 0.770 1.971) 3.186 2.913 ( 2.123 0.004 -1.221) 2.449 2.950 ( -1.736 1.512 -0.490) 2.354 3.023 ( -0.780 -4.407 1.834) 4.837 3.061 ( -0.004 -2.095 -1.252) 2.441 3.079 ( 1.268 -4.462 -0.087) 4.639 3.165 ( -2.333 2.115 -0.822) 3.254 3.172 ( -1.244 0.527 0.206) 1.367 3.194 ( 0.825 0.104 -0.802) 1.155 3.230 ( -3.915 -1.337 -2.468) 4.817 3.397 ( -0.423 1.453 0.564) 1.615 3.416 ( 0.161 -1.081 -0.851) 1.385 3.500 ( 0.246 1.263 -2.216) 2.563 3.551 ( -1.919 -3.413 -1.410) 4.161 3.581 ( 0.316 3.038 1.263) 3.306 3.622 ( -0.537 -2.020 1.725) 2.710 3.661 ( -1.465 1.321 -2.339) 3.060 3.675 ( -0.170 -0.027 -1.068) 1.082 3.754 ( -6.987 2.400 5.747) 9.360 3.816 ( -3.379 -3.304 0.471) 4.750 3.997 ( -0.877 4.134 -1.789) 4.589 4.008 ( 5.522 1.527 -5.510) 7.949 4.039 ( 5.483 1.458 -1.188) 5.797 4.056 ( 0.804 -0.876 2.410) 2.687 4.085 ( -0.237 -1.136 0.953) 1.502 4.123 ( 3.600 -3.980 -6.253) 8.240 4.306 ( -0.411 2.861 2.689) 3.948 4.359 ( -1.081 -2.641 -0.966) 3.013 4.515 ( 0.566 2.010 -1.348) 2.485 4.527 ( -2.284 1.526 1.435) 3.099 4.712 ( 0.830 5.199 -0.723) 5.315 4.726 ( 1.637 2.270 0.810) 2.913 4.827 ( -0.146 -4.600 0.145) 4.605 4.875 ( 2.012 -5.284 -2.904) 6.356 5.675 ( -0.583 1.883 -0.834) 2.141 5.684 ( -0.327 1.494 -1.183) 1.933 5.779 ( -0.388 -1.486 -0.232) 1.553 5.795 ( -0.571 -2.629 -0.942) 2.850 6.095 ( 0.409 2.049 1.394) 2.512 6.122 ( 0.410 -0.746 -0.500) 0.987 6.207 ( -0.662 0.472 0.495) 0.952 6.219 ( -0.075 -0.640 -0.812) 1.037 6.275 ( 0.993 1.220 -0.186) 1.584 6.278 ( -0.286 0.937 0.195) 0.999 6.407 ( 0.574 0.598 1.328) 1.565 6.427 ( -0.340 -1.186 1.512) 1.952 6.456 ( -0.187 1.025 0.385) 1.111 6.483 ( -0.176 -1.371 -0.181) 1.394 6.608 ( 0.057 0.844 1.295) 1.547 6.625 ( -0.314 -0.604 -0.338) 0.760 6.679 ( 0.235 0.954 -0.685) 1.197 6.711 ( 0.529 -1.749 -1.021) 2.093 6.775 ( -1.023 -0.959 0.166) 1.412 6.810 ( -0.164 -3.799 -1.494) 4.085 6.956 ( 1.772 3.060 2.515) 4.339 6.968 ( 1.867 1.877 1.486) 3.036 7.143 ( 1.487 0.134 2.270) 2.717 7.150 ( 1.131 -0.482 1.905) 2.268 7.554 ( -0.922 2.042 2.301) 3.212 7.589 ( 0.348 -0.511 0.273) 0.676 7.635 ( 0.530 0.884 0.544) 1.165 7.680 ( 1.675 -2.658 -1.951) 3.698 8.410 ( -0.507 0.450 0.266) 0.728 8.419 ( -0.049 -0.171 -0.090) 0.199 8.423 ( 0.075 0.102 -0.442) 0.460 8.429 ( 1.015 -0.330 -0.923) 1.411 8.939 ( 2.734 0.790 1.325) 3.139 8.960 ( 1.419 -1.238 2.004) 2.749 8.991 ( -0.173 0.858 -0.019) 0.876 9.000 ( 0.612 0.086 -0.020) 0.618 9.079 ( -0.964 0.392 2.010) 2.264 9.092 ( -0.353 -0.831 2.578) 2.731 9.187 ( -4.443 0.644 -1.542) 4.747 9.199 ( -4.545 -0.587 -1.124) 4.718 9.599 ( -0.440 0.223 5.497) 5.519 9.604 ( -0.444 -0.295 5.381) 5.407 9.748 ( 1.528 0.374 -5.452) 5.675 9.754 ( 1.554 -0.300 -5.607) 5.826 9.898 ( 0.742 0.681 -1.057) 1.460 9.917 ( 1.378 -1.232 -2.688) 3.262 10.061 ( 1.598 0.997 1.979) 2.732 10.074 ( 1.366 -0.343 0.211) 1.425 10.147 ( -2.801 1.373 -3.825) 4.936 10.180 ( -2.645 -1.814 -4.674) 5.669 10.496 ( -6.008 1.299 -5.351) 8.149 10.520 ( -5.720 -1.044 -6.909) 9.030 ======================= Grid point 74 (48/50) ======================= q-point: (-0.43 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( -9.727 11.122 3.389) 15.159 1.682 ( -2.169 7.931 3.214) 8.828 1.767 ( -3.303 1.922 4.082) 5.591 1.859 ( 4.145 -3.379 -3.453) 6.365 1.924 ( 2.229 0.409 0.653) 2.358 1.995 ( 8.974 -9.008 -4.608) 13.524 2.172 ( -3.140 -5.370 1.812) 6.480 2.261 ( 4.739 -4.049 -2.499) 6.715 2.290 ( 8.264 0.943 -0.432) 8.329 2.337 ( 10.300 -2.958 -0.357) 10.723 2.372 ( -2.694 6.160 -5.941) 8.972 2.399 ( 5.920 0.487 -4.853) 7.670 2.402 ( 3.107 0.753 -2.968) 4.362 2.432 ( 6.917 2.553 -0.183) 7.376 2.483 ( 1.126 0.147 -0.750) 1.361 2.500 ( 3.914 -1.285 0.728) 4.183 2.525 ( 1.145 -2.291 -1.593) 3.016 2.553 ( -1.280 -4.330 -9.982) 10.956 2.586 ( -2.038 -7.794 -9.903) 12.766 2.624 ( 11.489 -8.799 5.882) 15.621 2.776 ( -2.646 7.376 3.017) 8.397 2.834 ( -0.397 4.950 0.550) 4.996 2.884 ( -1.416 2.476 2.856) 4.036 2.923 ( -0.774 5.283 -2.960) 6.105 3.004 ( 1.452 -2.085 3.844) 4.608 3.022 ( -2.729 3.416 -4.528) 6.295 3.072 ( 3.338 2.709 3.787) 5.729 3.082 ( -0.376 -1.996 -2.333) 3.094 3.142 ( -0.709 -0.748 2.529) 2.730 3.159 ( 0.987 0.648 2.472) 2.740 3.167 ( -1.724 -1.991 -1.646) 3.106 3.180 ( -0.567 -0.913 0.870) 1.383 3.381 ( -2.673 1.518 1.834) 3.579 3.404 ( -0.733 0.608 0.404) 1.034 3.475 ( -5.006 -1.135 0.653) 5.175 3.506 ( -2.913 -2.861 4.726) 6.246 3.532 ( -7.242 0.225 4.780) 8.681 3.574 ( -7.590 -3.939 7.115) 11.124 3.607 ( -3.064 2.807 0.376) 4.172 3.653 ( -2.259 -1.860 0.797) 3.033 3.699 ( -2.055 3.375 5.355) 6.655 3.753 ( -2.732 -1.547 2.469) 3.994 3.959 ( -0.763 5.294 -0.939) 5.431 4.025 ( -2.584 -0.293 0.492) 2.646 4.064 ( -1.672 5.063 -0.006) 5.332 4.082 ( 5.263 -1.828 -5.990) 8.181 4.104 ( 0.270 -2.407 -1.284) 2.742 4.170 ( 3.986 -2.937 -4.198) 6.491 4.307 ( -1.665 1.492 2.972) 3.719 4.344 ( 0.607 -2.156 -1.375) 2.628 4.484 ( -2.471 4.051 1.774) 5.066 4.540 ( 2.527 -1.006 -0.500) 2.766 4.692 ( -2.812 2.548 1.189) 3.977 4.750 ( 0.384 0.784 -0.444) 0.980 4.801 ( -3.467 -2.852 1.791) 4.833 4.852 ( -2.549 -3.606 -1.282) 4.598 5.675 ( 1.051 2.186 -0.389) 2.457 5.682 ( 1.138 1.957 -1.267) 2.594 5.783 ( 0.724 -2.287 0.002) 2.399 5.788 ( 0.547 -2.370 -0.698) 2.531 6.102 ( -0.785 1.164 1.148) 1.814 6.120 ( -0.328 -0.574 -0.581) 0.880 6.209 ( 0.804 1.103 0.132) 1.371 6.225 ( 1.339 -0.580 -1.089) 1.821 6.278 ( 0.738 1.860 -0.811) 2.159 6.299 ( 1.830 0.196 -1.486) 2.365 6.422 ( -0.790 0.717 0.692) 1.272 6.426 ( -0.124 0.520 0.990) 1.125 6.458 ( -0.317 -0.605 1.387) 1.547 6.473 ( -0.361 -1.287 -0.443) 1.408 6.610 ( -0.591 -0.022 1.022) 1.180 6.611 ( -0.814 -0.091 0.460) 0.940 6.674 ( -1.075 1.420 1.443) 2.292 6.689 ( -1.369 0.402 -1.142) 1.827 6.781 ( 0.508 -2.566 1.071) 2.827 6.809 ( 1.385 -4.828 -2.063) 5.430 6.989 ( 0.716 3.184 -0.828) 3.367 7.002 ( 1.282 1.950 -1.341) 2.691 7.175 ( 1.097 -0.167 -0.482) 1.210 7.177 ( 1.115 -0.354 -0.918) 1.488 7.552 ( -1.027 2.691 2.068) 3.545 7.596 ( 0.374 -0.338 -0.530) 0.731 7.652 ( 1.098 0.279 -0.415) 1.207 7.697 ( 2.036 -2.734 -3.380) 4.801 8.403 ( -0.407 0.513 0.319) 0.728 8.413 ( -0.378 -0.518 0.272) 0.697 8.432 ( 1.358 0.825 -1.434) 2.140 8.449 ( 1.947 -0.793 -1.833) 2.789 8.955 ( -2.006 0.711 0.360) 2.158 8.967 ( -1.495 -0.549 1.144) 1.961 9.001 ( 1.293 0.894 -0.827) 1.776 9.012 ( 0.669 -0.259 -1.343) 1.522 9.110 ( 1.654 -0.116 1.916) 2.534 9.112 ( 0.908 -0.285 0.524) 1.087 9.156 ( 2.532 -0.036 1.785) 3.098 9.159 ( 1.300 -0.278 -0.113) 1.334 9.618 ( -1.746 0.575 6.000) 6.276 9.632 ( -0.852 -0.734 5.355) 5.472 9.732 ( 0.624 0.296 -6.187) 6.225 9.737 ( 1.322 -0.178 -5.965) 6.112 9.891 ( -1.257 0.535 -0.899) 1.635 9.901 ( -1.406 -0.477 -2.445) 2.860 10.079 ( 0.351 0.166 0.185) 0.430 10.085 ( 0.258 -0.343 -0.391) 0.581 10.118 ( 0.063 0.606 1.671) 1.779 10.131 ( -0.912 -0.640 -1.291) 1.705 10.413 ( 0.357 1.035 1.833) 2.135 10.432 ( 0.857 -0.826 -0.166) 1.201 ======================= Grid point 75 (49/50) ======================= q-point: (-0.29 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( -5.682 6.556 14.974) 17.305 1.661 ( -6.854 -14.796 5.210) 17.119 1.751 ( -0.546 16.969 19.514) 25.866 1.996 ( 5.384 -1.218 4.837) 7.339 2.106 ( 10.366 -1.857 5.983) 12.112 2.194 ( 12.508 -6.891 -2.494) 14.497 2.218 ( 5.955 5.120 4.739) 9.173 2.235 ( -0.594 2.524 -6.770) 7.249 2.301 ( -3.464 -2.808 -11.067) 11.931 2.359 ( 1.726 -3.463 -3.638) 5.311 2.390 ( 1.701 -1.183 -5.964) 6.313 2.435 ( 8.801 1.432 -12.853) 15.644 2.491 ( 4.678 -4.252 1.063) 6.411 2.498 ( 9.564 -1.782 -15.067) 17.935 2.538 ( 3.986 0.555 2.323) 4.647 2.604 ( 7.622 -2.433 -0.218) 8.004 2.612 ( 11.301 2.124 -1.142) 11.555 2.665 ( 5.120 -2.771 0.885) 5.888 2.680 ( -3.264 4.760 -0.977) 5.854 2.703 ( 9.606 3.276 -3.284) 10.667 2.798 ( 4.326 7.544 -3.782) 9.483 2.842 ( -2.651 1.205 -2.394) 3.770 2.872 ( -0.813 -0.768 1.420) 1.807 2.924 ( 0.992 3.879 3.316) 5.198 2.968 ( 3.951 -4.832 3.005) 6.927 3.035 ( -2.654 -4.980 -2.834) 6.315 3.039 ( 1.842 0.577 1.973) 2.760 3.100 ( -0.264 -2.757 1.529) 3.164 3.149 ( -2.733 0.084 5.892) 6.496 3.171 ( -1.204 -1.235 1.229) 2.118 3.180 ( -0.946 1.306 5.962) 6.177 3.211 ( 2.112 -0.928 1.378) 2.687 3.296 ( -9.457 -1.050 5.444) 10.962 3.330 ( -7.733 -3.667 7.563) 11.421 3.409 ( -2.176 2.397 3.284) 4.612 3.461 ( -1.734 3.868 3.239) 5.335 3.480 ( -5.989 -4.969 9.434) 12.230 3.553 ( 0.174 -4.539 4.056) 6.089 3.577 ( -0.145 4.103 2.019) 4.575 3.616 ( -2.165 -0.343 2.379) 3.235 3.690 ( -2.168 1.655 1.863) 3.303 3.739 ( -1.562 -1.322 1.952) 2.828 3.956 ( -0.902 6.307 2.199) 6.740 3.976 ( -2.222 3.107 -0.590) 3.866 4.017 ( -2.979 3.233 2.361) 4.990 4.069 ( -1.703 0.363 -1.802) 2.506 4.106 ( 1.219 -1.316 -6.951) 7.178 4.176 ( 1.024 -3.668 -5.114) 6.376 4.285 ( -3.168 0.835 0.234) 3.285 4.341 ( -0.910 -2.632 1.741) 3.284 4.466 ( -1.482 5.874 2.684) 6.626 4.574 ( -0.339 -5.000 0.684) 5.058 4.652 ( -0.755 3.184 -0.915) 3.398 4.723 ( -3.527 1.603 -1.193) 4.053 4.743 ( -1.888 -3.716 0.470) 4.194 4.782 ( -2.941 -2.809 1.045) 4.199 5.705 ( 2.279 2.362 -0.630) 3.342 5.711 ( 2.769 1.591 -0.456) 3.226 5.798 ( 1.201 -1.937 -0.507) 2.335 5.807 ( 1.233 -2.580 0.324) 2.878 6.090 ( -1.142 0.946 1.216) 1.918 6.105 ( -0.521 -0.356 -0.439) 0.769 6.232 ( 1.396 0.901 -0.321) 1.693 6.245 ( 1.265 -0.458 -1.248) 1.836 6.293 ( 1.877 1.296 -1.941) 2.995 6.317 ( 1.474 -0.791 -1.857) 2.499 6.403 ( -1.183 1.524 0.130) 1.933 6.424 ( -1.046 0.313 0.669) 1.281 6.450 ( -1.006 -0.119 0.448) 1.108 6.475 ( 0.468 -1.567 0.247) 1.654 6.597 ( -1.162 0.403 0.696) 1.413 6.606 ( -0.885 -0.439 1.019) 1.419 6.657 ( -1.084 1.259 0.413) 1.712 6.666 ( -1.240 0.623 2.239) 2.634 6.797 ( 0.485 -1.516 0.652) 1.720 6.825 ( 1.823 -4.341 -2.266) 5.225 6.975 ( -0.410 2.958 -2.908) 4.168 6.993 ( -0.059 1.409 -3.514) 3.787 7.167 ( -0.583 -0.208 -3.423) 3.479 7.171 ( -0.529 -0.493 -2.431) 2.536 7.549 ( -0.852 2.718 1.971) 3.464 7.594 ( 0.148 -0.701 -1.048) 1.269 7.662 ( 0.675 0.148 -1.954) 2.072 7.698 ( 1.316 -2.254 -4.687) 5.364 8.403 ( 0.232 0.292 0.436) 0.574 8.410 ( -0.030 -0.381 0.158) 0.413 8.448 ( 1.525 1.173 -1.837) 2.660 8.471 ( 1.894 -1.005 -2.493) 3.288 8.898 ( -2.643 1.239 -1.521) 3.292 8.923 ( -2.638 -1.179 -0.839) 3.009 9.014 ( 0.618 0.803 -0.936) 1.379 9.028 ( 1.276 -0.522 -1.042) 1.728 9.120 ( 0.950 0.002 -0.623) 1.136 9.125 ( 0.285 -0.457 -1.145) 1.266 9.256 ( 5.874 1.525 3.713) 7.114 9.285 ( 6.555 -1.370 2.517) 7.154 9.632 ( -1.611 0.931 5.303) 5.620 9.652 ( -1.149 -1.000 3.462) 3.782 9.657 ( -3.069 0.683 -5.482) 6.320 9.671 ( -2.735 -0.609 -5.548) 6.215 9.875 ( 0.146 0.678 1.613) 1.755 9.891 ( 1.413 -0.915 0.873) 1.896 10.048 ( -2.195 0.580 -1.008) 2.484 10.060 ( -1.272 -0.600 -1.589) 2.122 10.164 ( 3.479 0.649 2.433) 4.295 10.176 ( 3.046 -0.571 3.769) 4.880 10.532 ( 6.293 0.577 8.251) 10.393 10.542 ( 6.857 -0.391 6.155) 9.223 ======================= Grid point 76 (50/50) ======================= q-point: (-0.14 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( 0.043 -2.434 23.481) 23.607 1.611 ( -4.754 -9.617 13.883) 17.545 1.940 ( 0.563 12.017 20.319) 23.613 2.050 ( -1.717 4.355 0.947) 4.776 2.156 ( -2.184 0.940 -8.213) 8.550 2.194 ( -5.208 -3.853 8.765) 10.899 2.298 ( 7.736 3.461 2.371) 8.800 2.339 ( 0.187 -0.577 -6.030) 6.060 2.360 ( 2.446 -4.080 -7.466) 8.852 2.391 ( 6.730 -3.630 -0.652) 7.674 2.462 ( 4.299 3.669 -4.842) 7.442 2.472 ( -1.214 6.917 -2.784) 7.555 2.539 ( 1.515 0.299 0.153) 1.551 2.557 ( 1.163 0.023 -5.203) 5.332 2.607 ( 2.891 -0.249 -0.592) 2.962 2.637 ( 11.940 -1.140 -6.534) 13.659 2.692 ( 1.660 -3.383 0.345) 3.784 2.704 ( 8.432 3.601 -7.626) 11.925 2.744 ( 3.947 0.145 -2.748) 4.812 2.817 ( 0.887 -4.517 -0.796) 4.672 2.844 ( 3.395 1.865 2.404) 4.558 2.916 ( 1.226 3.126 2.322) 4.083 2.932 ( 6.370 -4.484 -1.006) 7.855 2.950 ( -2.990 -0.181 5.403) 6.178 2.977 ( -4.292 1.679 0.674) 4.658 3.029 ( 5.075 -2.640 -1.052) 5.817 3.100 ( 0.769 1.740 1.943) 2.719 3.135 ( -2.092 -0.058 4.290) 4.773 3.143 ( 2.639 1.361 1.673) 3.408 3.177 ( -0.072 -1.658 3.470) 3.846 3.188 ( -0.339 -1.623 4.721) 5.004 3.234 ( 3.939 3.156 2.481) 5.625 3.268 ( -5.581 -10.050 12.208) 16.769 3.307 ( 3.568 -1.688 1.497) 4.221 3.417 ( 1.675 -0.955 3.586) 4.072 3.448 ( -1.674 -1.971 7.708) 8.130 3.515 ( -0.024 3.850 6.375) 7.448 3.589 ( -1.735 -1.010 2.965) 3.581 3.600 ( -0.055 1.304 2.061) 2.439 3.605 ( -0.937 -0.867 2.650) 2.941 3.659 ( -1.435 0.847 2.561) 3.055 3.706 ( -2.771 -1.907 2.283) 4.065 3.898 ( -3.566 7.052 -0.905) 7.954 3.962 ( -1.500 -0.628 -3.032) 3.441 3.989 ( -2.394 0.424 0.973) 2.618 4.009 ( -3.540 -1.249 -1.657) 4.103 4.054 ( 3.517 6.162 -8.853) 11.345 4.158 ( 2.405 -4.200 -7.762) 9.147 4.217 ( -2.479 4.456 1.534) 5.325 4.312 ( -2.218 -3.985 -1.315) 4.747 4.452 ( -2.017 4.291 0.713) 4.794 4.537 ( -2.832 -3.682 -2.704) 5.375 4.611 ( -1.417 2.603 1.074) 3.152 4.680 ( -1.642 -3.324 1.796) 4.119 4.723 ( 1.393 1.805 -2.137) 3.125 4.774 ( 0.573 -2.535 -0.676) 2.685 5.751 ( 2.533 1.883 0.039) 3.156 5.772 ( 3.363 0.200 -0.548) 3.413 5.821 ( 1.033 -0.880 0.666) 1.512 5.836 ( 1.314 -1.640 0.246) 2.116 6.082 ( -0.908 0.885 1.764) 2.173 6.097 ( 0.018 -0.390 -0.345) 0.521 6.244 ( -0.554 0.121 -0.395) 0.691 6.252 ( 0.673 -0.513 -0.211) 0.872 6.316 ( 1.823 0.532 -1.932) 2.709 6.332 ( 1.618 -0.608 -1.889) 2.561 6.380 ( -1.239 0.742 0.216) 1.460 6.397 ( -1.634 -0.573 -0.455) 1.791 6.437 ( -0.336 2.429 -0.127) 2.456 6.483 ( 0.291 -2.005 -0.749) 2.160 6.573 ( -1.361 0.791 -0.281) 1.599 6.586 ( -1.537 -0.511 0.033) 1.620 6.660 ( 0.213 1.056 2.506) 2.728 6.672 ( -0.107 -0.041 3.087) 3.089 6.803 ( -0.263 0.057 -0.663) 0.716 6.828 ( -0.056 -2.543 -2.967) 3.908 6.944 ( -0.405 2.018 -1.432) 2.508 6.965 ( 0.409 0.019 -2.401) 2.435 7.104 ( -2.500 0.206 -4.411) 5.074 7.117 ( -2.720 -0.965 -2.961) 4.135 7.550 ( -0.906 2.286 2.498) 3.505 7.589 ( -0.020 -0.863 -0.594) 1.048 7.648 ( -0.304 0.517 -2.016) 2.104 7.680 ( 0.760 -1.858 -4.570) 4.992 8.415 ( 0.306 -0.026 0.213) 0.374 8.416 ( 0.603 -0.194 0.411) 0.755 8.458 ( 0.793 1.155 -1.743) 2.236 8.478 ( 0.792 -0.877 -2.435) 2.707 8.853 ( -0.576 0.963 -1.036) 1.528 8.878 ( -0.895 -1.488 -0.951) 1.980 8.987 ( -2.250 0.852 -1.951) 3.098 8.998 ( -2.413 -0.203 -2.238) 3.298 9.163 ( 3.730 0.532 1.398) 4.018 9.174 ( 3.786 -0.604 1.228) 4.026 9.349 ( -0.247 0.475 1.224) 1.336 9.356 ( -1.227 -0.206 -0.518) 1.348 9.605 ( 2.089 0.190 -1.415) 2.530 9.612 ( 1.708 -0.487 -2.529) 3.091 9.628 ( -2.319 1.065 3.491) 4.324 9.648 ( -2.364 -0.896 3.211) 4.087 9.910 ( 1.270 0.742 2.432) 2.842 9.933 ( 1.641 -1.631 0.967) 2.507 10.016 ( -0.385 1.505 -0.741) 1.721 10.038 ( 0.113 -0.813 -1.851) 2.024 10.260 ( 3.769 0.260 2.727) 4.660 10.266 ( 2.722 -0.343 3.749) 4.645 10.726 ( 6.174 0.748 7.437) 9.695 10.741 ( 7.656 -0.723 5.391) 9.391 =================== 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 10.0 834.989 1164.888 677.942 0.000 -191.951 0.000 3/15876 20.0 205.314 201.390 222.063 0.000 -6.635 0.000 3/15876 30.0 78.807 69.813 87.769 0.000 -0.627 0.000 3/15876 40.0 43.774 37.105 49.070 0.000 -0.379 0.000 3/15876 50.0 29.161 24.201 32.781 0.000 -0.351 0.000 3/15876 60.0 21.479 17.637 24.188 0.000 -0.316 0.000 3/15876 70.0 16.853 13.760 19.000 0.000 -0.277 0.000 3/15876 80.0 13.808 11.237 15.581 0.000 -0.240 0.000 3/15876 90.0 11.673 9.480 13.181 0.000 -0.208 0.000 3/15876 100.0 10.105 8.195 11.416 0.000 -0.181 0.000 3/15876 110.0 8.908 7.217 10.068 0.000 -0.159 0.000 3/15876 120.0 7.967 6.449 9.009 0.000 -0.141 0.000 3/15876 130.0 7.210 5.832 8.155 0.000 -0.126 0.000 3/15876 140.0 6.587 5.325 7.452 0.000 -0.113 0.000 3/15876 150.0 6.065 4.901 6.865 0.000 -0.102 0.000 3/15876 160.0 5.623 4.541 6.366 0.000 -0.093 0.000 3/15876 170.0 5.242 4.232 5.936 0.000 -0.086 0.000 3/15876 180.0 4.912 3.964 5.563 0.000 -0.079 0.000 3/15876 190.0 4.622 3.728 5.236 0.000 -0.073 0.000 3/15876 200.0 4.365 3.520 4.946 0.000 -0.068 0.000 3/15876 210.0 4.136 3.334 4.687 0.000 -0.064 0.000 3/15876 220.0 3.931 3.168 4.455 0.000 -0.060 0.000 3/15876 230.0 3.745 3.018 4.246 0.000 -0.056 0.000 3/15876 240.0 3.577 2.882 4.056 0.000 -0.053 0.000 3/15876 250.0 3.424 2.758 3.882 0.000 -0.050 0.000 3/15876 260.0 3.284 2.644 3.724 0.000 -0.048 0.000 3/15876 270.0 3.155 2.540 3.578 0.000 -0.046 0.000 3/15876 280.0 3.035 2.444 3.443 0.000 -0.044 0.000 3/15876 290.0 2.925 2.354 3.318 0.000 -0.042 0.000 3/15876 300.0 2.823 2.272 3.203 0.000 -0.040 0.000 3/15876 310.0 2.728 2.195 3.095 0.000 -0.038 0.000 3/15876 320.0 2.639 2.123 2.994 0.000 -0.037 0.000 3/15876 330.0 2.556 2.056 2.900 0.000 -0.036 0.000 3/15876 340.0 2.478 1.993 2.812 0.000 -0.034 0.000 3/15876 350.0 2.404 1.934 2.729 0.000 -0.033 0.000 3/15876 360.0 2.335 1.878 2.651 0.000 -0.032 0.000 3/15876 370.0 2.270 1.826 2.577 0.000 -0.031 0.000 3/15876 380.0 2.209 1.776 2.507 0.000 -0.030 0.000 3/15876 390.0 2.151 1.729 2.441 0.000 -0.029 0.000 3/15876 400.0 2.095 1.685 2.379 0.000 -0.028 0.000 3/15876 410.0 2.043 1.642 2.319 0.000 -0.028 0.000 3/15876 420.0 1.993 1.602 2.263 0.000 -0.027 0.000 3/15876 430.0 1.946 1.564 2.209 0.000 -0.026 0.000 3/15876 440.0 1.901 1.528 2.158 0.000 -0.025 0.000 3/15876 450.0 1.858 1.493 2.109 0.000 -0.025 0.000 3/15876 460.0 1.816 1.460 2.062 0.000 -0.024 0.000 3/15876 470.0 1.777 1.428 2.018 0.000 -0.024 0.000 3/15876 480.0 1.739 1.398 1.975 0.000 -0.023 0.000 3/15876 490.0 1.703 1.369 1.934 0.000 -0.022 0.000 3/15876 500.0 1.669 1.341 1.895 0.000 -0.022 0.000 3/15876 510.0 1.635 1.314 1.857 0.000 -0.022 0.000 3/15876 520.0 1.604 1.288 1.821 0.000 -0.021 0.000 3/15876 530.0 1.573 1.264 1.786 0.000 -0.021 0.000 3/15876 540.0 1.543 1.240 1.753 0.000 -0.020 0.000 3/15876 550.0 1.515 1.217 1.720 0.000 -0.020 0.000 3/15876 560.0 1.488 1.195 1.689 0.000 -0.019 0.000 3/15876 570.0 1.461 1.174 1.659 0.000 -0.019 0.000 3/15876 580.0 1.436 1.153 1.631 0.000 -0.019 0.000 3/15876 590.0 1.411 1.133 1.603 0.000 -0.018 0.000 3/15876 600.0 1.387 1.114 1.576 0.000 -0.018 0.000 3/15876 610.0 1.364 1.096 1.550 0.000 -0.018 0.000 3/15876 620.0 1.342 1.078 1.524 0.000 -0.017 0.000 3/15876 630.0 1.321 1.061 1.500 0.000 -0.017 0.000 3/15876 640.0 1.300 1.044 1.476 0.000 -0.017 0.000 3/15876 650.0 1.280 1.028 1.454 0.000 -0.017 0.000 3/15876 660.0 1.260 1.012 1.431 0.000 -0.016 0.000 3/15876 670.0 1.241 0.997 1.410 0.000 -0.016 0.000 3/15876 680.0 1.223 0.982 1.389 0.000 -0.016 0.000 3/15876 690.0 1.205 0.968 1.369 0.000 -0.016 0.000 3/15876 700.0 1.188 0.954 1.349 0.000 -0.015 0.000 3/15876 710.0 1.171 0.940 1.330 0.000 -0.015 0.000 3/15876 720.0 1.154 0.927 1.311 0.000 -0.015 0.000 3/15876 730.0 1.138 0.914 1.293 0.000 -0.015 0.000 3/15876 740.0 1.123 0.902 1.276 0.000 -0.014 0.000 3/15876 750.0 1.108 0.890 1.259 0.000 -0.014 0.000 3/15876 760.0 1.093 0.878 1.242 0.000 -0.014 0.000 3/15876 770.0 1.079 0.866 1.226 0.000 -0.014 0.000 3/15876 780.0 1.065 0.855 1.210 0.000 -0.014 0.000 3/15876 790.0 1.051 0.844 1.195 0.000 -0.013 0.000 3/15876 800.0 1.038 0.834 1.180 0.000 -0.013 0.000 3/15876 810.0 1.025 0.823 1.165 0.000 -0.013 0.000 3/15876 820.0 1.013 0.813 1.151 0.000 -0.013 0.000 3/15876 830.0 1.001 0.803 1.137 0.000 -0.013 0.000 3/15876 840.0 0.989 0.794 1.123 0.000 -0.013 0.000 3/15876 850.0 0.977 0.784 1.110 0.000 -0.012 0.000 3/15876 860.0 0.966 0.775 1.097 0.000 -0.012 0.000 3/15876 870.0 0.954 0.766 1.084 0.000 -0.012 0.000 3/15876 880.0 0.943 0.757 1.072 0.000 -0.012 0.000 3/15876 890.0 0.933 0.749 1.060 0.000 -0.012 0.000 3/15876 900.0 0.922 0.741 1.048 0.000 -0.012 0.000 3/15876 910.0 0.912 0.732 1.036 0.000 -0.012 0.000 3/15876 920.0 0.902 0.724 1.025 0.000 -0.012 0.000 3/15876 930.0 0.893 0.717 1.014 0.000 -0.011 0.000 3/15876 940.0 0.883 0.709 1.003 0.000 -0.011 0.000 3/15876 950.0 0.874 0.701 0.993 0.000 -0.011 0.000 3/15876 960.0 0.865 0.694 0.982 0.000 -0.011 0.000 3/15876 970.0 0.856 0.687 0.972 0.000 -0.011 0.000 3/15876 980.0 0.847 0.680 0.962 0.000 -0.011 0.000 3/15876 990.0 0.838 0.673 0.953 0.000 -0.011 0.000 3/15876 1000.0 0.830 0.666 0.943 0.000 -0.011 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 04:40:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|