----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 06:24:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.782062120000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.192900539999998 0.000000000000000 c 0.000000000000000 0.000000000000000 5.236509140000000 Atomic positions (fractional): *1 O 0.79771890573238 0.17490037185434 0.61156955236804 15.999 2 O 0.70228109426762 0.32509962814566 0.11156955236804 15.999 3 O 0.29771890573238 0.32509962814566 0.38843044763196 15.999 4 O 0.20228109426762 0.17490037185434 0.88843044763196 15.999 5 O 0.20228109426762 0.82509962814566 0.38843044763196 15.999 6 O 0.29771890573238 0.67490037185434 0.88843044763196 15.999 7 O 0.70228109426762 0.67490037185434 0.61156955236804 15.999 8 O 0.79771890573238 0.82509962814566 0.11156955236804 15.999 *9 O 0.82031339747956 0.94940570868142 0.57195840056774 15.999 10 O 0.67968660252044 0.55059429131858 0.07195840056774 15.999 11 O 0.32031339747956 0.55059429131858 0.42804159943226 15.999 12 O 0.17968660252044 0.94940570868142 0.92804159943226 15.999 13 O 0.82031339747956 0.05059429131858 0.07195840056774 15.999 14 O 0.67968660252044 0.44940570868142 0.57195840056774 15.999 15 O 0.32031339747956 0.44940570868142 0.92804159943226 15.999 16 O 0.17968660252044 0.05059429131858 0.42804159943226 15.999 *17 Na 0.50000000000000 0.14076979485893 0.25000000000000 22.990 18 Na 0.00000000000000 0.35923020514107 0.75000000000000 22.990 19 Na 0.50000000000000 0.85923020514107 0.75000000000000 22.990 20 Na 0.00000000000000 0.64076979485893 0.25000000000000 22.990 *21 Na 0.50000000000000 0.72512804435969 0.25000000000000 22.990 22 Na 0.00000000000000 0.77487195564031 0.75000000000000 22.990 23 Na 0.50000000000000 0.27487195564031 0.75000000000000 22.990 24 Na 0.00000000000000 0.22512804435969 0.25000000000000 22.990 *25 Te 0.50000000000000 0.42823296194189 0.25000000000000 127.600 26 Te 0.00000000000000 0.07176703805811 0.75000000000000 127.600 27 Te 0.50000000000000 0.57176703805811 0.75000000000000 127.600 28 Te 0.00000000000000 0.92823296194189 0.25000000000000 127.600 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.782062120000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.192900539999998 0.000000000000000 c 0.000000000000000 0.000000000000000 5.236509140000000 Atomic positions (fractional): *1 O 0.79771890573238 0.17490037185434 0.61156955236804 15.999 > 1 2 O 0.70228109426762 0.32509962814566 0.11156955236804 15.999 > 2 3 O 0.29771890573238 0.32509962814566 0.38843044763196 15.999 > 3 4 O 0.20228109426762 0.17490037185434 0.88843044763196 15.999 > 4 5 O 0.20228109426762 0.82509962814566 0.38843044763196 15.999 > 5 6 O 0.29771890573238 0.67490037185434 0.88843044763196 15.999 > 6 7 O 0.70228109426762 0.67490037185434 0.61156955236804 15.999 > 7 8 O 0.79771890573238 0.82509962814566 0.11156955236804 15.999 > 8 *9 O 0.82031339747956 0.94940570868142 0.57195840056774 15.999 > 9 10 O 0.67968660252044 0.55059429131858 0.07195840056774 15.999 > 10 11 O 0.32031339747956 0.55059429131858 0.42804159943226 15.999 > 11 12 O 0.17968660252044 0.94940570868142 0.92804159943226 15.999 > 12 13 O 0.82031339747956 0.05059429131858 0.07195840056774 15.999 > 13 14 O 0.67968660252044 0.44940570868142 0.57195840056774 15.999 > 14 15 O 0.32031339747956 0.44940570868142 0.92804159943226 15.999 > 15 16 O 0.17968660252044 0.05059429131858 0.42804159943226 15.999 > 16 *17 Na 0.50000000000000 0.14076979485893 0.25000000000000 22.990 > 17 18 Na 0.00000000000000 0.35923020514107 0.75000000000000 22.990 > 18 19 Na 0.50000000000000 0.85923020514107 0.75000000000000 22.990 > 19 20 Na 0.00000000000000 0.64076979485893 0.25000000000000 22.990 > 20 *21 Na 0.50000000000000 0.72512804435969 0.25000000000000 22.990 > 21 22 Na 0.00000000000000 0.77487195564031 0.75000000000000 22.990 > 22 23 Na 0.50000000000000 0.27487195564031 0.75000000000000 22.990 > 23 24 Na 0.00000000000000 0.22512804435969 0.25000000000000 22.990 > 24 *25 Te 0.50000000000000 0.42823296194189 0.25000000000000 127.600 > 25 26 Te 0.00000000000000 0.07176703805811 0.75000000000000 127.600 > 26 27 Te 0.50000000000000 0.57176703805811 0.75000000000000 127.600 > 27 28 Te 0.00000000000000 0.92823296194189 0.25000000000000 127.600 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.564124240000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.192900539999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.473018280000000 Atomic positions (fractional): *1 O 0.39885945286619 0.17490037185434 0.30578477618402 15.999 > 1 2 O 0.89885945286619 0.17490037185434 0.30578477618402 15.999 > 1 3 O 0.39885945286619 0.17490037185434 0.80578477618402 15.999 > 1 4 O 0.89885945286619 0.17490037185434 0.80578477618402 15.999 > 1 5 O 0.35114054713381 0.32509962814566 0.05578477618402 15.999 > 2 6 O 0.85114054713381 0.32509962814566 0.05578477618402 15.999 > 2 7 O 0.35114054713381 0.32509962814566 0.55578477618402 15.999 > 2 8 O 0.85114054713381 0.32509962814566 0.55578477618402 15.999 > 2 9 O 0.14885945286619 0.32509962814566 0.19421522381598 15.999 > 3 10 O 0.64885945286619 0.32509962814566 0.19421522381598 15.999 > 3 11 O 0.14885945286619 0.32509962814566 0.69421522381598 15.999 > 3 12 O 0.64885945286619 0.32509962814566 0.69421522381598 15.999 > 3 13 O 0.10114054713381 0.17490037185434 0.44421522381598 15.999 > 4 14 O 0.60114054713381 0.17490037185434 0.44421522381598 15.999 > 4 15 O 0.10114054713381 0.17490037185434 0.94421522381598 15.999 > 4 16 O 0.60114054713381 0.17490037185434 0.94421522381598 15.999 > 4 17 O 0.10114054713381 0.82509962814566 0.19421522381598 15.999 > 5 18 O 0.60114054713381 0.82509962814566 0.19421522381598 15.999 > 5 19 O 0.10114054713381 0.82509962814566 0.69421522381598 15.999 > 5 20 O 0.60114054713381 0.82509962814566 0.69421522381598 15.999 > 5 21 O 0.14885945286619 0.67490037185434 0.44421522381598 15.999 > 6 22 O 0.64885945286619 0.67490037185434 0.44421522381598 15.999 > 6 23 O 0.14885945286619 0.67490037185434 0.94421522381598 15.999 > 6 24 O 0.64885945286619 0.67490037185434 0.94421522381598 15.999 > 6 25 O 0.35114054713381 0.67490037185434 0.30578477618402 15.999 > 7 26 O 0.85114054713381 0.67490037185434 0.30578477618402 15.999 > 7 27 O 0.35114054713381 0.67490037185434 0.80578477618402 15.999 > 7 28 O 0.85114054713381 0.67490037185434 0.80578477618402 15.999 > 7 29 O 0.39885945286619 0.82509962814566 0.05578477618402 15.999 > 8 30 O 0.89885945286619 0.82509962814566 0.05578477618402 15.999 > 8 31 O 0.39885945286619 0.82509962814566 0.55578477618402 15.999 > 8 32 O 0.89885945286619 0.82509962814566 0.55578477618402 15.999 > 8 *33 O 0.41015669873978 0.94940570868142 0.28597920028387 15.999 > 9 34 O 0.91015669873978 0.94940570868142 0.28597920028387 15.999 > 9 35 O 0.41015669873978 0.94940570868142 0.78597920028387 15.999 > 9 36 O 0.91015669873978 0.94940570868142 0.78597920028387 15.999 > 9 37 O 0.33984330126022 0.55059429131858 0.03597920028387 15.999 > 10 38 O 0.83984330126022 0.55059429131858 0.03597920028387 15.999 > 10 39 O 0.33984330126022 0.55059429131858 0.53597920028387 15.999 > 10 40 O 0.83984330126022 0.55059429131858 0.53597920028387 15.999 > 10 41 O 0.16015669873978 0.55059429131858 0.21402079971613 15.999 > 11 42 O 0.66015669873978 0.55059429131858 0.21402079971613 15.999 > 11 43 O 0.16015669873978 0.55059429131858 0.71402079971613 15.999 > 11 44 O 0.66015669873978 0.55059429131858 0.71402079971613 15.999 > 11 45 O 0.08984330126022 0.94940570868142 0.46402079971613 15.999 > 12 46 O 0.58984330126022 0.94940570868142 0.46402079971613 15.999 > 12 47 O 0.08984330126022 0.94940570868142 0.96402079971613 15.999 > 12 48 O 0.58984330126022 0.94940570868142 0.96402079971613 15.999 > 12 49 O 0.41015669873978 0.05059429131858 0.03597920028387 15.999 > 13 50 O 0.91015669873978 0.05059429131858 0.03597920028387 15.999 > 13 51 O 0.41015669873978 0.05059429131858 0.53597920028387 15.999 > 13 52 O 0.91015669873978 0.05059429131858 0.53597920028387 15.999 > 13 53 O 0.33984330126022 0.44940570868142 0.28597920028387 15.999 > 14 54 O 0.83984330126022 0.44940570868142 0.28597920028387 15.999 > 14 55 O 0.33984330126022 0.44940570868142 0.78597920028387 15.999 > 14 56 O 0.83984330126022 0.44940570868142 0.78597920028387 15.999 > 14 57 O 0.16015669873978 0.44940570868142 0.46402079971613 15.999 > 15 58 O 0.66015669873978 0.44940570868142 0.46402079971613 15.999 > 15 59 O 0.16015669873978 0.44940570868142 0.96402079971613 15.999 > 15 60 O 0.66015669873978 0.44940570868142 0.96402079971613 15.999 > 15 61 O 0.08984330126022 0.05059429131858 0.21402079971613 15.999 > 16 62 O 0.58984330126022 0.05059429131858 0.21402079971613 15.999 > 16 63 O 0.08984330126022 0.05059429131858 0.71402079971613 15.999 > 16 64 O 0.58984330126022 0.05059429131858 0.71402079971613 15.999 > 16 *65 Na 0.25000000000000 0.14076979485893 0.12500000000000 22.990 > 17 66 Na 0.75000000000000 0.14076979485893 0.12500000000000 22.990 > 17 67 Na 0.25000000000000 0.14076979485893 0.62500000000000 22.990 > 17 68 Na 0.75000000000000 0.14076979485893 0.62500000000000 22.990 > 17 69 Na 0.00000000000000 0.35923020514107 0.37500000000000 22.990 > 18 70 Na 0.50000000000000 0.35923020514107 0.37500000000000 22.990 > 18 71 Na 0.00000000000000 0.35923020514107 0.87500000000000 22.990 > 18 72 Na 0.50000000000000 0.35923020514107 0.87500000000000 22.990 > 18 73 Na 0.25000000000000 0.85923020514107 0.37500000000000 22.990 > 19 74 Na 0.75000000000000 0.85923020514107 0.37500000000000 22.990 > 19 75 Na 0.25000000000000 0.85923020514107 0.87500000000000 22.990 > 19 76 Na 0.75000000000000 0.85923020514107 0.87500000000000 22.990 > 19 77 Na 0.00000000000000 0.64076979485893 0.12500000000000 22.990 > 20 78 Na 0.50000000000000 0.64076979485893 0.12500000000000 22.990 > 20 79 Na 0.00000000000000 0.64076979485893 0.62500000000000 22.990 > 20 80 Na 0.50000000000000 0.64076979485893 0.62500000000000 22.990 > 20 *81 Na 0.25000000000000 0.72512804435969 0.12500000000000 22.990 > 21 82 Na 0.75000000000000 0.72512804435969 0.12500000000000 22.990 > 21 83 Na 0.25000000000000 0.72512804435969 0.62500000000000 22.990 > 21 84 Na 0.75000000000000 0.72512804435969 0.62500000000000 22.990 > 21 85 Na 0.00000000000000 0.77487195564031 0.37500000000000 22.990 > 22 86 Na 0.50000000000000 0.77487195564031 0.37500000000000 22.990 > 22 87 Na 0.00000000000000 0.77487195564031 0.87500000000000 22.990 > 22 88 Na 0.50000000000000 0.77487195564031 0.87500000000000 22.990 > 22 89 Na 0.25000000000000 0.27487195564031 0.37500000000000 22.990 > 23 90 Na 0.75000000000000 0.27487195564031 0.37500000000000 22.990 > 23 91 Na 0.25000000000000 0.27487195564031 0.87500000000000 22.990 > 23 92 Na 0.75000000000000 0.27487195564031 0.87500000000000 22.990 > 23 93 Na 0.00000000000000 0.22512804435969 0.12500000000000 22.990 > 24 94 Na 0.50000000000000 0.22512804435969 0.12500000000000 22.990 > 24 95 Na 0.00000000000000 0.22512804435969 0.62500000000000 22.990 > 24 96 Na 0.50000000000000 0.22512804435969 0.62500000000000 22.990 > 24 *97 Te 0.25000000000000 0.42823296194189 0.12500000000000 127.600 > 25 98 Te 0.75000000000000 0.42823296194189 0.12500000000000 127.600 > 25 99 Te 0.25000000000000 0.42823296194189 0.62500000000000 127.600 > 25 100 Te 0.75000000000000 0.42823296194189 0.62500000000000 127.600 > 25 101 Te 0.00000000000000 0.07176703805811 0.37500000000000 127.600 > 26 102 Te 0.50000000000000 0.07176703805811 0.37500000000000 127.600 > 26 103 Te 0.00000000000000 0.07176703805811 0.87500000000000 127.600 > 26 104 Te 0.50000000000000 0.07176703805811 0.87500000000000 127.600 > 26 105 Te 0.25000000000000 0.57176703805811 0.37500000000000 127.600 > 27 106 Te 0.75000000000000 0.57176703805811 0.37500000000000 127.600 > 27 107 Te 0.25000000000000 0.57176703805811 0.87500000000000 127.600 > 27 108 Te 0.75000000000000 0.57176703805811 0.87500000000000 127.600 > 27 109 Te 0.00000000000000 0.92823296194189 0.12500000000000 127.600 > 28 110 Te 0.50000000000000 0.92823296194189 0.12500000000000 127.600 > 28 111 Te 0.00000000000000 0.92823296194189 0.62500000000000 127.600 > 28 112 Te 0.50000000000000 0.92823296194189 0.62500000000000 127.600 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7115896 0.0000000 0.0000000 0.0000000 3.2074838 0.0000000 0.0000000 0.0000000 3.6397037 -------------------------- Born effective charges -------------------------- 1 O -1.4700241 0.4325275 -0.2072329 0.3938944 -1.7117409 0.1848139 -0.1073824 0.0133533 -1.4907479 2 O -1.4700241 0.4325275 0.2072329 0.3938944 -1.7117409 -0.1848139 0.1073824 -0.0133533 -1.4907479 3 O -1.4700241 -0.4325275 0.2072329 -0.3938944 -1.7117409 0.1848139 0.1073824 0.0133533 -1.4907479 4 O -1.4700241 -0.4325275 -0.2072329 -0.3938944 -1.7117409 -0.1848139 -0.1073824 -0.0133533 -1.4907479 5 O -1.4700241 0.4325275 -0.2072329 0.3938944 -1.7117409 0.1848139 -0.1073824 0.0133533 -1.4907479 6 O -1.4700241 0.4325275 0.2072329 0.3938944 -1.7117409 -0.1848139 0.1073824 -0.0133533 -1.4907479 7 O -1.4700241 -0.4325275 0.2072329 -0.3938944 -1.7117409 0.1848139 0.1073824 0.0133533 -1.4907479 8 O -1.4700241 -0.4325275 -0.2072329 -0.3938944 -1.7117409 -0.1848139 -0.1073824 -0.0133533 -1.4907479 9 O -1.1669582 -0.1328032 0.1388636 -0.1287400 -1.5747757 -0.4982432 0.1042586 -0.6301420 -2.4232720 10 O -1.1669582 -0.1328032 -0.1388636 -0.1287400 -1.5747757 0.4982432 -0.1042586 0.6301420 -2.4232720 11 O -1.1669582 0.1328032 -0.1388636 0.1287400 -1.5747757 -0.4982432 -0.1042586 -0.6301420 -2.4232720 12 O -1.1669582 0.1328032 0.1388636 0.1287400 -1.5747757 0.4982432 0.1042586 0.6301420 -2.4232720 13 O -1.1669582 0.1328032 0.1388636 0.1287400 -1.5747757 0.4982432 0.1042586 0.6301420 -2.4232720 14 O -1.1669582 0.1328032 -0.1388636 0.1287400 -1.5747757 -0.4982432 -0.1042586 -0.6301420 -2.4232720 15 O -1.1669582 -0.1328032 -0.1388636 -0.1287400 -1.5747757 0.4982432 -0.1042586 0.6301420 -2.4232720 16 O -1.1669582 -0.1328032 0.1388636 -0.1287400 -1.5747757 -0.4982432 0.1042586 -0.6301420 -2.4232720 17 Na 1.3092489 0.0000000 0.0861029 0.0000000 1.1648282 0.0000000 0.0534379 0.0000000 1.0556288 18 Na 1.3092489 0.0000000 -0.0861029 0.0000000 1.1648282 0.0000000 -0.0534379 0.0000000 1.0556288 19 Na 1.3092489 0.0000000 0.0861029 0.0000000 1.1648282 0.0000000 0.0534379 0.0000000 1.0556288 20 Na 1.3092489 0.0000000 -0.0861029 0.0000000 1.1648282 0.0000000 -0.0534379 0.0000000 1.0556288 21 Na 0.9546640 0.0000000 -0.0940946 0.0000000 1.2023140 0.0000000 0.0981344 0.0000000 1.0161626 22 Na 0.9546640 0.0000000 0.0940946 0.0000000 1.2023140 0.0000000 -0.0981344 0.0000000 1.0161626 23 Na 0.9546640 0.0000000 -0.0940946 0.0000000 1.2023140 0.0000000 0.0981344 0.0000000 1.0161626 24 Na 0.9546640 0.0000000 0.0940946 0.0000000 1.2023140 0.0000000 -0.0981344 0.0000000 1.0161626 25 Te 3.0100518 0.0000000 -0.1666743 0.0000000 4.2058909 0.0000000 0.0229518 0.0000000 5.7562484 26 Te 3.0100518 0.0000000 0.1666743 0.0000000 4.2058909 0.0000000 -0.0229518 0.0000000 5.7562484 27 Te 3.0100518 0.0000000 -0.1666743 0.0000000 4.2058909 0.0000000 0.0229518 0.0000000 5.7562484 28 Te 3.0100518 0.0000000 0.1666743 0.0000000 4.2058909 0.0000000 -0.0229518 0.0000000 5.7562484 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1857 Number of blocks in projector: 1857 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: 410 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 374 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 374 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 233 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 233 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 233 Use standard eigh solver. Tree of FC basis block matrices: - (1857, 1824), data: False |-- (233, 228), data: True |-- (233, 228), data: True |-- (233, 228), data: True |-- (374, 370), data: True |-- (374, 370), data: True |-- (410, 400), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 2.908 Solver_block: 200 / 480 - Time: 2.907 Solver_block: 300 / 480 - Time: 2.894 Solver_block: 400 / 480 - Time: 2.910 Solver_block: 480 / 480 - Time: 2.347 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.017 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1857 Number of blocks in projector: 1857 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: 410 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 374 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 374 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 233 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 233 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 233 Use standard eigh solver. Tree of FC basis block matrices: - (1857, 1824), data: False |-- (233, 228), data: True |-- (233, 228), data: True |-- (233, 228), data: True |-- (374, 370), data: True |-- (374, 370), data: True |-- (410, 400), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 06:25:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:25:09]------------------------- 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: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.782062120000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.192900539999998 0.000000000000000 c 0.000000000000000 0.000000000000000 5.236509140000000 Atomic positions (fractional): 1 O 0.79771890573238 0.17490037185434 0.61156955236804 15.999 2 O 0.70228109426762 0.32509962814566 0.11156955236804 15.999 3 O 0.29771890573238 0.32509962814566 0.38843044763196 15.999 4 O 0.20228109426762 0.17490037185434 0.88843044763196 15.999 5 O 0.20228109426762 0.82509962814566 0.38843044763196 15.999 6 O 0.29771890573238 0.67490037185434 0.88843044763196 15.999 7 O 0.70228109426762 0.67490037185434 0.61156955236804 15.999 8 O 0.79771890573238 0.82509962814566 0.11156955236804 15.999 9 O 0.82031339747956 0.94940570868142 0.57195840056774 15.999 10 O 0.67968660252044 0.55059429131858 0.07195840056774 15.999 11 O 0.32031339747956 0.55059429131858 0.42804159943226 15.999 12 O 0.17968660252044 0.94940570868142 0.92804159943226 15.999 13 O 0.82031339747956 0.05059429131858 0.07195840056774 15.999 14 O 0.67968660252044 0.44940570868142 0.57195840056774 15.999 15 O 0.32031339747956 0.44940570868142 0.92804159943226 15.999 16 O 0.17968660252044 0.05059429131858 0.42804159943226 15.999 17 Na 0.50000000000000 0.14076979485893 0.25000000000000 22.990 18 Na 0.00000000000000 0.35923020514107 0.75000000000000 22.990 19 Na 0.50000000000000 0.85923020514107 0.75000000000000 22.990 20 Na 0.00000000000000 0.64076979485893 0.25000000000000 22.990 21 Na 0.50000000000000 0.72512804435969 0.25000000000000 22.990 22 Na 0.00000000000000 0.77487195564031 0.75000000000000 22.990 23 Na 0.50000000000000 0.27487195564031 0.75000000000000 22.990 24 Na 0.00000000000000 0.22512804435969 0.25000000000000 22.990 25 Te 0.50000000000000 0.42823296194189 0.25000000000000 127.600 26 Te 0.00000000000000 0.07176703805811 0.75000000000000 127.600 27 Te 0.50000000000000 0.57176703805811 0.75000000000000 127.600 28 Te 0.00000000000000 0.92823296194189 0.25000000000000 127.600 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.564124240000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.192900539999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.473018280000000 Atomic positions (fractional): 1 O 0.39885945286619 0.17490037185434 0.30578477618402 15.999 > 1 2 O 0.89885945286619 0.17490037185434 0.30578477618402 15.999 > 1 3 O 0.39885945286619 0.17490037185434 0.80578477618402 15.999 > 1 4 O 0.89885945286619 0.17490037185434 0.80578477618402 15.999 > 1 5 O 0.35114054713381 0.32509962814566 0.05578477618402 15.999 > 5 6 O 0.85114054713381 0.32509962814566 0.05578477618402 15.999 > 5 7 O 0.35114054713381 0.32509962814566 0.55578477618402 15.999 > 5 8 O 0.85114054713381 0.32509962814566 0.55578477618402 15.999 > 5 9 O 0.14885945286619 0.32509962814566 0.19421522381598 15.999 > 9 10 O 0.64885945286619 0.32509962814566 0.19421522381598 15.999 > 9 11 O 0.14885945286619 0.32509962814566 0.69421522381598 15.999 > 9 12 O 0.64885945286619 0.32509962814566 0.69421522381598 15.999 > 9 13 O 0.10114054713381 0.17490037185434 0.44421522381598 15.999 > 13 14 O 0.60114054713381 0.17490037185434 0.44421522381598 15.999 > 13 15 O 0.10114054713381 0.17490037185434 0.94421522381598 15.999 > 13 16 O 0.60114054713381 0.17490037185434 0.94421522381598 15.999 > 13 17 O 0.10114054713381 0.82509962814566 0.19421522381598 15.999 > 17 18 O 0.60114054713381 0.82509962814566 0.19421522381598 15.999 > 17 19 O 0.10114054713381 0.82509962814566 0.69421522381598 15.999 > 17 20 O 0.60114054713381 0.82509962814566 0.69421522381598 15.999 > 17 21 O 0.14885945286619 0.67490037185434 0.44421522381598 15.999 > 21 22 O 0.64885945286619 0.67490037185434 0.44421522381598 15.999 > 21 23 O 0.14885945286619 0.67490037185434 0.94421522381598 15.999 > 21 24 O 0.64885945286619 0.67490037185434 0.94421522381598 15.999 > 21 25 O 0.35114054713381 0.67490037185434 0.30578477618402 15.999 > 25 26 O 0.85114054713381 0.67490037185434 0.30578477618402 15.999 > 25 27 O 0.35114054713381 0.67490037185434 0.80578477618402 15.999 > 25 28 O 0.85114054713381 0.67490037185434 0.80578477618402 15.999 > 25 29 O 0.39885945286619 0.82509962814566 0.05578477618402 15.999 > 29 30 O 0.89885945286619 0.82509962814566 0.05578477618402 15.999 > 29 31 O 0.39885945286619 0.82509962814566 0.55578477618402 15.999 > 29 32 O 0.89885945286619 0.82509962814566 0.55578477618402 15.999 > 29 33 O 0.41015669873978 0.94940570868142 0.28597920028387 15.999 > 33 34 O 0.91015669873978 0.94940570868142 0.28597920028387 15.999 > 33 35 O 0.41015669873978 0.94940570868142 0.78597920028387 15.999 > 33 36 O 0.91015669873978 0.94940570868142 0.78597920028387 15.999 > 33 37 O 0.33984330126022 0.55059429131858 0.03597920028387 15.999 > 37 38 O 0.83984330126022 0.55059429131858 0.03597920028387 15.999 > 37 39 O 0.33984330126022 0.55059429131858 0.53597920028387 15.999 > 37 40 O 0.83984330126022 0.55059429131858 0.53597920028387 15.999 > 37 41 O 0.16015669873978 0.55059429131858 0.21402079971613 15.999 > 41 42 O 0.66015669873978 0.55059429131858 0.21402079971613 15.999 > 41 43 O 0.16015669873978 0.55059429131858 0.71402079971613 15.999 > 41 44 O 0.66015669873978 0.55059429131858 0.71402079971613 15.999 > 41 45 O 0.08984330126022 0.94940570868142 0.46402079971613 15.999 > 45 46 O 0.58984330126022 0.94940570868142 0.46402079971613 15.999 > 45 47 O 0.08984330126022 0.94940570868142 0.96402079971613 15.999 > 45 48 O 0.58984330126022 0.94940570868142 0.96402079971613 15.999 > 45 49 O 0.41015669873978 0.05059429131858 0.03597920028387 15.999 > 49 50 O 0.91015669873978 0.05059429131858 0.03597920028387 15.999 > 49 51 O 0.41015669873978 0.05059429131858 0.53597920028387 15.999 > 49 52 O 0.91015669873978 0.05059429131858 0.53597920028387 15.999 > 49 53 O 0.33984330126022 0.44940570868142 0.28597920028387 15.999 > 53 54 O 0.83984330126022 0.44940570868142 0.28597920028387 15.999 > 53 55 O 0.33984330126022 0.44940570868142 0.78597920028387 15.999 > 53 56 O 0.83984330126022 0.44940570868142 0.78597920028387 15.999 > 53 57 O 0.16015669873978 0.44940570868142 0.46402079971613 15.999 > 57 58 O 0.66015669873978 0.44940570868142 0.46402079971613 15.999 > 57 59 O 0.16015669873978 0.44940570868142 0.96402079971613 15.999 > 57 60 O 0.66015669873978 0.44940570868142 0.96402079971613 15.999 > 57 61 O 0.08984330126022 0.05059429131858 0.21402079971613 15.999 > 61 62 O 0.58984330126022 0.05059429131858 0.21402079971613 15.999 > 61 63 O 0.08984330126022 0.05059429131858 0.71402079971613 15.999 > 61 64 O 0.58984330126022 0.05059429131858 0.71402079971613 15.999 > 61 65 Na 0.25000000000000 0.14076979485893 0.12500000000000 22.990 > 65 66 Na 0.75000000000000 0.14076979485893 0.12500000000000 22.990 > 65 67 Na 0.25000000000000 0.14076979485893 0.62500000000000 22.990 > 65 68 Na 0.75000000000000 0.14076979485893 0.62500000000000 22.990 > 65 69 Na 0.00000000000000 0.35923020514107 0.37500000000000 22.990 > 69 70 Na 0.50000000000000 0.35923020514107 0.37500000000000 22.990 > 69 71 Na 0.00000000000000 0.35923020514107 0.87500000000000 22.990 > 69 72 Na 0.50000000000000 0.35923020514107 0.87500000000000 22.990 > 69 73 Na 0.25000000000000 0.85923020514107 0.37500000000000 22.990 > 73 74 Na 0.75000000000000 0.85923020514107 0.37500000000000 22.990 > 73 75 Na 0.25000000000000 0.85923020514107 0.87500000000000 22.990 > 73 76 Na 0.75000000000000 0.85923020514107 0.87500000000000 22.990 > 73 77 Na 0.00000000000000 0.64076979485893 0.12500000000000 22.990 > 77 78 Na 0.50000000000000 0.64076979485893 0.12500000000000 22.990 > 77 79 Na 0.00000000000000 0.64076979485893 0.62500000000000 22.990 > 77 80 Na 0.50000000000000 0.64076979485893 0.62500000000000 22.990 > 77 81 Na 0.25000000000000 0.72512804435969 0.12500000000000 22.990 > 81 82 Na 0.75000000000000 0.72512804435969 0.12500000000000 22.990 > 81 83 Na 0.25000000000000 0.72512804435969 0.62500000000000 22.990 > 81 84 Na 0.75000000000000 0.72512804435969 0.62500000000000 22.990 > 81 85 Na 0.00000000000000 0.77487195564031 0.37500000000000 22.990 > 85 86 Na 0.50000000000000 0.77487195564031 0.37500000000000 22.990 > 85 87 Na 0.00000000000000 0.77487195564031 0.87500000000000 22.990 > 85 88 Na 0.50000000000000 0.77487195564031 0.87500000000000 22.990 > 85 89 Na 0.25000000000000 0.27487195564031 0.37500000000000 22.990 > 89 90 Na 0.75000000000000 0.27487195564031 0.37500000000000 22.990 > 89 91 Na 0.25000000000000 0.27487195564031 0.87500000000000 22.990 > 89 92 Na 0.75000000000000 0.27487195564031 0.87500000000000 22.990 > 89 93 Na 0.00000000000000 0.22512804435969 0.12500000000000 22.990 > 93 94 Na 0.50000000000000 0.22512804435969 0.12500000000000 22.990 > 93 95 Na 0.00000000000000 0.22512804435969 0.62500000000000 22.990 > 93 96 Na 0.50000000000000 0.22512804435969 0.62500000000000 22.990 > 93 97 Te 0.25000000000000 0.42823296194189 0.12500000000000 127.600 > 97 98 Te 0.75000000000000 0.42823296194189 0.12500000000000 127.600 > 97 99 Te 0.25000000000000 0.42823296194189 0.62500000000000 127.600 > 97 100 Te 0.75000000000000 0.42823296194189 0.62500000000000 127.600 > 97 101 Te 0.00000000000000 0.07176703805811 0.37500000000000 127.600 > 101 102 Te 0.50000000000000 0.07176703805811 0.37500000000000 127.600 > 101 103 Te 0.00000000000000 0.07176703805811 0.87500000000000 127.600 > 101 104 Te 0.50000000000000 0.07176703805811 0.87500000000000 127.600 > 101 105 Te 0.25000000000000 0.57176703805811 0.37500000000000 127.600 > 105 106 Te 0.75000000000000 0.57176703805811 0.37500000000000 127.600 > 105 107 Te 0.25000000000000 0.57176703805811 0.87500000000000 127.600 > 105 108 Te 0.75000000000000 0.57176703805811 0.87500000000000 127.600 > 105 109 Te 0.00000000000000 0.92823296194189 0.12500000000000 127.600 > 109 110 Te 0.50000000000000 0.92823296194189 0.12500000000000 127.600 > 109 111 Te 0.00000000000000 0.92823296194189 0.62500000000000 127.600 > 109 112 Te 0.50000000000000 0.92823296194189 0.62500000000000 127.600 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7115896 0.0000000 0.0000000 0.0000000 3.2074838 0.0000000 0.0000000 0.0000000 3.6397037 -------------------------- Born effective charges -------------------------- 1 O -1.4700241 0.4325275 -0.2072329 0.3938944 -1.7117409 0.1848139 -0.1073824 0.0133533 -1.4907479 2 O -1.4700241 0.4325275 0.2072329 0.3938944 -1.7117409 -0.1848139 0.1073824 -0.0133533 -1.4907479 3 O -1.4700241 -0.4325275 0.2072329 -0.3938944 -1.7117409 0.1848139 0.1073824 0.0133533 -1.4907479 4 O -1.4700241 -0.4325275 -0.2072329 -0.3938944 -1.7117409 -0.1848139 -0.1073824 -0.0133533 -1.4907479 5 O -1.4700241 0.4325275 -0.2072329 0.3938944 -1.7117409 0.1848139 -0.1073824 0.0133533 -1.4907479 6 O -1.4700241 0.4325275 0.2072329 0.3938944 -1.7117409 -0.1848139 0.1073824 -0.0133533 -1.4907479 7 O -1.4700241 -0.4325275 0.2072329 -0.3938944 -1.7117409 0.1848139 0.1073824 0.0133533 -1.4907479 8 O -1.4700241 -0.4325275 -0.2072329 -0.3938944 -1.7117409 -0.1848139 -0.1073824 -0.0133533 -1.4907479 9 O -1.1669582 -0.1328032 0.1388636 -0.1287400 -1.5747757 -0.4982432 0.1042586 -0.6301420 -2.4232720 10 O -1.1669582 -0.1328032 -0.1388636 -0.1287400 -1.5747757 0.4982432 -0.1042586 0.6301420 -2.4232720 11 O -1.1669582 0.1328032 -0.1388636 0.1287400 -1.5747757 -0.4982432 -0.1042586 -0.6301420 -2.4232720 12 O -1.1669582 0.1328032 0.1388636 0.1287400 -1.5747757 0.4982432 0.1042586 0.6301420 -2.4232720 13 O -1.1669582 0.1328032 0.1388636 0.1287400 -1.5747757 0.4982432 0.1042586 0.6301420 -2.4232720 14 O -1.1669582 0.1328032 -0.1388636 0.1287400 -1.5747757 -0.4982432 -0.1042586 -0.6301420 -2.4232720 15 O -1.1669582 -0.1328032 -0.1388636 -0.1287400 -1.5747757 0.4982432 -0.1042586 0.6301420 -2.4232720 16 O -1.1669582 -0.1328032 0.1388636 -0.1287400 -1.5747757 -0.4982432 0.1042586 -0.6301420 -2.4232720 17 Na 1.3092489 0.0000000 0.0861029 0.0000000 1.1648282 0.0000000 0.0534379 0.0000000 1.0556288 18 Na 1.3092489 0.0000000 -0.0861029 0.0000000 1.1648282 0.0000000 -0.0534379 0.0000000 1.0556288 19 Na 1.3092489 0.0000000 0.0861029 0.0000000 1.1648282 0.0000000 0.0534379 0.0000000 1.0556288 20 Na 1.3092489 0.0000000 -0.0861029 0.0000000 1.1648282 0.0000000 -0.0534379 0.0000000 1.0556288 21 Na 0.9546640 0.0000000 -0.0940946 0.0000000 1.2023140 0.0000000 0.0981344 0.0000000 1.0161626 22 Na 0.9546640 0.0000000 0.0940946 0.0000000 1.2023140 0.0000000 -0.0981344 0.0000000 1.0161626 23 Na 0.9546640 0.0000000 -0.0940946 0.0000000 1.2023140 0.0000000 0.0981344 0.0000000 1.0161626 24 Na 0.9546640 0.0000000 0.0940946 0.0000000 1.2023140 0.0000000 -0.0981344 0.0000000 1.0161626 25 Te 3.0100518 0.0000000 -0.1666743 0.0000000 4.2058909 0.0000000 0.0229518 0.0000000 5.7562484 26 Te 3.0100518 0.0000000 0.1666743 0.0000000 4.2058909 0.0000000 -0.0229518 0.0000000 5.7562484 27 Te 3.0100518 0.0000000 -0.1666743 0.0000000 4.2058909 0.0000000 0.0229518 0.0000000 5.7562484 28 Te 3.0100518 0.0000000 0.1666743 0.0000000 4.2058909 0.0000000 -0.0229518 0.0000000 5.7562484 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000003 (xyx) -0.00000003 (xyx) -0.00000003 (xxy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000003 (zx) -0.00000003 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:25:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:25:31]------------------------- 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: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.782062120000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.192900539999998 0.000000000000000 c 0.000000000000000 0.000000000000000 5.236509140000000 Atomic positions (fractional): 1 O 0.79771890573238 0.17490037185434 0.61156955236804 15.999 2 O 0.70228109426762 0.32509962814566 0.11156955236804 15.999 3 O 0.29771890573238 0.32509962814566 0.38843044763196 15.999 4 O 0.20228109426762 0.17490037185434 0.88843044763196 15.999 5 O 0.20228109426762 0.82509962814566 0.38843044763196 15.999 6 O 0.29771890573238 0.67490037185434 0.88843044763196 15.999 7 O 0.70228109426762 0.67490037185434 0.61156955236804 15.999 8 O 0.79771890573238 0.82509962814566 0.11156955236804 15.999 9 O 0.82031339747956 0.94940570868142 0.57195840056774 15.999 10 O 0.67968660252044 0.55059429131858 0.07195840056774 15.999 11 O 0.32031339747956 0.55059429131858 0.42804159943226 15.999 12 O 0.17968660252044 0.94940570868142 0.92804159943226 15.999 13 O 0.82031339747956 0.05059429131858 0.07195840056774 15.999 14 O 0.67968660252044 0.44940570868142 0.57195840056774 15.999 15 O 0.32031339747956 0.44940570868142 0.92804159943226 15.999 16 O 0.17968660252044 0.05059429131858 0.42804159943226 15.999 17 Na 0.50000000000000 0.14076979485893 0.25000000000000 22.990 18 Na 0.00000000000000 0.35923020514107 0.75000000000000 22.990 19 Na 0.50000000000000 0.85923020514107 0.75000000000000 22.990 20 Na 0.00000000000000 0.64076979485893 0.25000000000000 22.990 21 Na 0.50000000000000 0.72512804435969 0.25000000000000 22.990 22 Na 0.00000000000000 0.77487195564031 0.75000000000000 22.990 23 Na 0.50000000000000 0.27487195564031 0.75000000000000 22.990 24 Na 0.00000000000000 0.22512804435969 0.25000000000000 22.990 25 Te 0.50000000000000 0.42823296194189 0.25000000000000 127.600 26 Te 0.00000000000000 0.07176703805811 0.75000000000000 127.600 27 Te 0.50000000000000 0.57176703805811 0.75000000000000 127.600 28 Te 0.00000000000000 0.92823296194189 0.25000000000000 127.600 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.564124240000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.192900539999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.473018280000000 Atomic positions (fractional): 1 O 0.39885945286619 0.17490037185434 0.30578477618402 15.999 > 1 2 O 0.89885945286619 0.17490037185434 0.30578477618402 15.999 > 1 3 O 0.39885945286619 0.17490037185434 0.80578477618402 15.999 > 1 4 O 0.89885945286619 0.17490037185434 0.80578477618402 15.999 > 1 5 O 0.35114054713381 0.32509962814566 0.05578477618402 15.999 > 5 6 O 0.85114054713381 0.32509962814566 0.05578477618402 15.999 > 5 7 O 0.35114054713381 0.32509962814566 0.55578477618402 15.999 > 5 8 O 0.85114054713381 0.32509962814566 0.55578477618402 15.999 > 5 9 O 0.14885945286619 0.32509962814566 0.19421522381598 15.999 > 9 10 O 0.64885945286619 0.32509962814566 0.19421522381598 15.999 > 9 11 O 0.14885945286619 0.32509962814566 0.69421522381598 15.999 > 9 12 O 0.64885945286619 0.32509962814566 0.69421522381598 15.999 > 9 13 O 0.10114054713381 0.17490037185434 0.44421522381598 15.999 > 13 14 O 0.60114054713381 0.17490037185434 0.44421522381598 15.999 > 13 15 O 0.10114054713381 0.17490037185434 0.94421522381598 15.999 > 13 16 O 0.60114054713381 0.17490037185434 0.94421522381598 15.999 > 13 17 O 0.10114054713381 0.82509962814566 0.19421522381598 15.999 > 17 18 O 0.60114054713381 0.82509962814566 0.19421522381598 15.999 > 17 19 O 0.10114054713381 0.82509962814566 0.69421522381598 15.999 > 17 20 O 0.60114054713381 0.82509962814566 0.69421522381598 15.999 > 17 21 O 0.14885945286619 0.67490037185434 0.44421522381598 15.999 > 21 22 O 0.64885945286619 0.67490037185434 0.44421522381598 15.999 > 21 23 O 0.14885945286619 0.67490037185434 0.94421522381598 15.999 > 21 24 O 0.64885945286619 0.67490037185434 0.94421522381598 15.999 > 21 25 O 0.35114054713381 0.67490037185434 0.30578477618402 15.999 > 25 26 O 0.85114054713381 0.67490037185434 0.30578477618402 15.999 > 25 27 O 0.35114054713381 0.67490037185434 0.80578477618402 15.999 > 25 28 O 0.85114054713381 0.67490037185434 0.80578477618402 15.999 > 25 29 O 0.39885945286619 0.82509962814566 0.05578477618402 15.999 > 29 30 O 0.89885945286619 0.82509962814566 0.05578477618402 15.999 > 29 31 O 0.39885945286619 0.82509962814566 0.55578477618402 15.999 > 29 32 O 0.89885945286619 0.82509962814566 0.55578477618402 15.999 > 29 33 O 0.41015669873978 0.94940570868142 0.28597920028387 15.999 > 33 34 O 0.91015669873978 0.94940570868142 0.28597920028387 15.999 > 33 35 O 0.41015669873978 0.94940570868142 0.78597920028387 15.999 > 33 36 O 0.91015669873978 0.94940570868142 0.78597920028387 15.999 > 33 37 O 0.33984330126022 0.55059429131858 0.03597920028387 15.999 > 37 38 O 0.83984330126022 0.55059429131858 0.03597920028387 15.999 > 37 39 O 0.33984330126022 0.55059429131858 0.53597920028387 15.999 > 37 40 O 0.83984330126022 0.55059429131858 0.53597920028387 15.999 > 37 41 O 0.16015669873978 0.55059429131858 0.21402079971613 15.999 > 41 42 O 0.66015669873978 0.55059429131858 0.21402079971613 15.999 > 41 43 O 0.16015669873978 0.55059429131858 0.71402079971613 15.999 > 41 44 O 0.66015669873978 0.55059429131858 0.71402079971613 15.999 > 41 45 O 0.08984330126022 0.94940570868142 0.46402079971613 15.999 > 45 46 O 0.58984330126022 0.94940570868142 0.46402079971613 15.999 > 45 47 O 0.08984330126022 0.94940570868142 0.96402079971613 15.999 > 45 48 O 0.58984330126022 0.94940570868142 0.96402079971613 15.999 > 45 49 O 0.41015669873978 0.05059429131858 0.03597920028387 15.999 > 49 50 O 0.91015669873978 0.05059429131858 0.03597920028387 15.999 > 49 51 O 0.41015669873978 0.05059429131858 0.53597920028387 15.999 > 49 52 O 0.91015669873978 0.05059429131858 0.53597920028387 15.999 > 49 53 O 0.33984330126022 0.44940570868142 0.28597920028387 15.999 > 53 54 O 0.83984330126022 0.44940570868142 0.28597920028387 15.999 > 53 55 O 0.33984330126022 0.44940570868142 0.78597920028387 15.999 > 53 56 O 0.83984330126022 0.44940570868142 0.78597920028387 15.999 > 53 57 O 0.16015669873978 0.44940570868142 0.46402079971613 15.999 > 57 58 O 0.66015669873978 0.44940570868142 0.46402079971613 15.999 > 57 59 O 0.16015669873978 0.44940570868142 0.96402079971613 15.999 > 57 60 O 0.66015669873978 0.44940570868142 0.96402079971613 15.999 > 57 61 O 0.08984330126022 0.05059429131858 0.21402079971613 15.999 > 61 62 O 0.58984330126022 0.05059429131858 0.21402079971613 15.999 > 61 63 O 0.08984330126022 0.05059429131858 0.71402079971613 15.999 > 61 64 O 0.58984330126022 0.05059429131858 0.71402079971613 15.999 > 61 65 Na 0.25000000000000 0.14076979485893 0.12500000000000 22.990 > 65 66 Na 0.75000000000000 0.14076979485893 0.12500000000000 22.990 > 65 67 Na 0.25000000000000 0.14076979485893 0.62500000000000 22.990 > 65 68 Na 0.75000000000000 0.14076979485893 0.62500000000000 22.990 > 65 69 Na 0.00000000000000 0.35923020514107 0.37500000000000 22.990 > 69 70 Na 0.50000000000000 0.35923020514107 0.37500000000000 22.990 > 69 71 Na 0.00000000000000 0.35923020514107 0.87500000000000 22.990 > 69 72 Na 0.50000000000000 0.35923020514107 0.87500000000000 22.990 > 69 73 Na 0.25000000000000 0.85923020514107 0.37500000000000 22.990 > 73 74 Na 0.75000000000000 0.85923020514107 0.37500000000000 22.990 > 73 75 Na 0.25000000000000 0.85923020514107 0.87500000000000 22.990 > 73 76 Na 0.75000000000000 0.85923020514107 0.87500000000000 22.990 > 73 77 Na 0.00000000000000 0.64076979485893 0.12500000000000 22.990 > 77 78 Na 0.50000000000000 0.64076979485893 0.12500000000000 22.990 > 77 79 Na 0.00000000000000 0.64076979485893 0.62500000000000 22.990 > 77 80 Na 0.50000000000000 0.64076979485893 0.62500000000000 22.990 > 77 81 Na 0.25000000000000 0.72512804435969 0.12500000000000 22.990 > 81 82 Na 0.75000000000000 0.72512804435969 0.12500000000000 22.990 > 81 83 Na 0.25000000000000 0.72512804435969 0.62500000000000 22.990 > 81 84 Na 0.75000000000000 0.72512804435969 0.62500000000000 22.990 > 81 85 Na 0.00000000000000 0.77487195564031 0.37500000000000 22.990 > 85 86 Na 0.50000000000000 0.77487195564031 0.37500000000000 22.990 > 85 87 Na 0.00000000000000 0.77487195564031 0.87500000000000 22.990 > 85 88 Na 0.50000000000000 0.77487195564031 0.87500000000000 22.990 > 85 89 Na 0.25000000000000 0.27487195564031 0.37500000000000 22.990 > 89 90 Na 0.75000000000000 0.27487195564031 0.37500000000000 22.990 > 89 91 Na 0.25000000000000 0.27487195564031 0.87500000000000 22.990 > 89 92 Na 0.75000000000000 0.27487195564031 0.87500000000000 22.990 > 89 93 Na 0.00000000000000 0.22512804435969 0.12500000000000 22.990 > 93 94 Na 0.50000000000000 0.22512804435969 0.12500000000000 22.990 > 93 95 Na 0.00000000000000 0.22512804435969 0.62500000000000 22.990 > 93 96 Na 0.50000000000000 0.22512804435969 0.62500000000000 22.990 > 93 97 Te 0.25000000000000 0.42823296194189 0.12500000000000 127.600 > 97 98 Te 0.75000000000000 0.42823296194189 0.12500000000000 127.600 > 97 99 Te 0.25000000000000 0.42823296194189 0.62500000000000 127.600 > 97 100 Te 0.75000000000000 0.42823296194189 0.62500000000000 127.600 > 97 101 Te 0.00000000000000 0.07176703805811 0.37500000000000 127.600 > 101 102 Te 0.50000000000000 0.07176703805811 0.37500000000000 127.600 > 101 103 Te 0.00000000000000 0.07176703805811 0.87500000000000 127.600 > 101 104 Te 0.50000000000000 0.07176703805811 0.87500000000000 127.600 > 101 105 Te 0.25000000000000 0.57176703805811 0.37500000000000 127.600 > 105 106 Te 0.75000000000000 0.57176703805811 0.37500000000000 127.600 > 105 107 Te 0.25000000000000 0.57176703805811 0.87500000000000 127.600 > 105 108 Te 0.75000000000000 0.57176703805811 0.87500000000000 127.600 > 105 109 Te 0.00000000000000 0.92823296194189 0.12500000000000 127.600 > 109 110 Te 0.50000000000000 0.92823296194189 0.12500000000000 127.600 > 109 111 Te 0.00000000000000 0.92823296194189 0.62500000000000 127.600 > 109 112 Te 0.50000000000000 0.92823296194189 0.62500000000000 127.600 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.7115896 0.0000000 0.0000000 0.0000000 3.2074838 0.0000000 0.0000000 0.0000000 3.6397037 -------------------------- Born effective charges -------------------------- 1 O -1.4700241 0.4325275 -0.2072329 0.3938944 -1.7117409 0.1848139 -0.1073824 0.0133533 -1.4907479 2 O -1.4700241 0.4325275 0.2072329 0.3938944 -1.7117409 -0.1848139 0.1073824 -0.0133533 -1.4907479 3 O -1.4700241 -0.4325275 0.2072329 -0.3938944 -1.7117409 0.1848139 0.1073824 0.0133533 -1.4907479 4 O -1.4700241 -0.4325275 -0.2072329 -0.3938944 -1.7117409 -0.1848139 -0.1073824 -0.0133533 -1.4907479 5 O -1.4700241 0.4325275 -0.2072329 0.3938944 -1.7117409 0.1848139 -0.1073824 0.0133533 -1.4907479 6 O -1.4700241 0.4325275 0.2072329 0.3938944 -1.7117409 -0.1848139 0.1073824 -0.0133533 -1.4907479 7 O -1.4700241 -0.4325275 0.2072329 -0.3938944 -1.7117409 0.1848139 0.1073824 0.0133533 -1.4907479 8 O -1.4700241 -0.4325275 -0.2072329 -0.3938944 -1.7117409 -0.1848139 -0.1073824 -0.0133533 -1.4907479 9 O -1.1669582 -0.1328032 0.1388636 -0.1287400 -1.5747757 -0.4982432 0.1042586 -0.6301420 -2.4232720 10 O -1.1669582 -0.1328032 -0.1388636 -0.1287400 -1.5747757 0.4982432 -0.1042586 0.6301420 -2.4232720 11 O -1.1669582 0.1328032 -0.1388636 0.1287400 -1.5747757 -0.4982432 -0.1042586 -0.6301420 -2.4232720 12 O -1.1669582 0.1328032 0.1388636 0.1287400 -1.5747757 0.4982432 0.1042586 0.6301420 -2.4232720 13 O -1.1669582 0.1328032 0.1388636 0.1287400 -1.5747757 0.4982432 0.1042586 0.6301420 -2.4232720 14 O -1.1669582 0.1328032 -0.1388636 0.1287400 -1.5747757 -0.4982432 -0.1042586 -0.6301420 -2.4232720 15 O -1.1669582 -0.1328032 -0.1388636 -0.1287400 -1.5747757 0.4982432 -0.1042586 0.6301420 -2.4232720 16 O -1.1669582 -0.1328032 0.1388636 -0.1287400 -1.5747757 -0.4982432 0.1042586 -0.6301420 -2.4232720 17 Na 1.3092489 0.0000000 0.0861029 0.0000000 1.1648282 0.0000000 0.0534379 0.0000000 1.0556288 18 Na 1.3092489 0.0000000 -0.0861029 0.0000000 1.1648282 0.0000000 -0.0534379 0.0000000 1.0556288 19 Na 1.3092489 0.0000000 0.0861029 0.0000000 1.1648282 0.0000000 0.0534379 0.0000000 1.0556288 20 Na 1.3092489 0.0000000 -0.0861029 0.0000000 1.1648282 0.0000000 -0.0534379 0.0000000 1.0556288 21 Na 0.9546640 0.0000000 -0.0940946 0.0000000 1.2023140 0.0000000 0.0981344 0.0000000 1.0161626 22 Na 0.9546640 0.0000000 0.0940946 0.0000000 1.2023140 0.0000000 -0.0981344 0.0000000 1.0161626 23 Na 0.9546640 0.0000000 -0.0940946 0.0000000 1.2023140 0.0000000 0.0981344 0.0000000 1.0161626 24 Na 0.9546640 0.0000000 0.0940946 0.0000000 1.2023140 0.0000000 -0.0981344 0.0000000 1.0161626 25 Te 3.0100518 0.0000000 -0.1666743 0.0000000 4.2058909 0.0000000 0.0229518 0.0000000 5.7562484 26 Te 3.0100518 0.0000000 0.1666743 0.0000000 4.2058909 0.0000000 -0.0229518 0.0000000 5.7562484 27 Te 3.0100518 0.0000000 -0.1666743 0.0000000 4.2058909 0.0000000 0.0229518 0.0000000 5.7562484 28 Te 3.0100518 0.0000000 0.1666743 0.0000000 4.2058909 0.0000000 -0.0229518 0.0000000 5.7562484 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000003 (xyx) -0.00000003 (xyx) -0.00000003 (xxy) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 4 10 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.58, Number of G-points: 311, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/90) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.138 ( 0.000 0.000 0.000) 0.000 1.551 ( 0.000 0.000 0.000) 0.000 1.558 ( 0.000 0.000 0.000) 0.000 1.850 ( 0.000 0.000 0.000) 0.000 2.834 ( 0.000 0.000 0.000) 0.000 2.954 ( 0.000 0.000 0.000) 0.000 3.040 ( 0.000 0.000 0.000) 0.000 3.094 ( 0.000 0.000 0.000) 0.000 3.214 ( 0.000 0.000 0.000) 0.000 4.021 ( 0.000 0.000 0.000) 0.000 4.167 ( 0.000 0.000 0.000) 0.000 4.170 ( 0.000 0.000 0.000) 0.000 4.434 ( 0.000 0.000 0.000) 0.000 4.523 ( 0.000 0.000 0.000) 0.000 4.750 ( 0.000 0.000 0.000) 0.000 4.894 ( 0.000 0.000 0.000) 0.000 5.115 ( 0.000 0.000 0.000) 0.000 5.363 ( 0.000 0.000 0.000) 0.000 5.444 ( 0.000 0.000 0.000) 0.000 5.549 ( 0.000 0.000 0.000) 0.000 5.571 ( 0.000 0.000 0.000) 0.000 5.622 ( 0.000 0.000 0.000) 0.000 5.705 ( 0.000 0.000 0.000) 0.000 5.830 ( 0.000 0.000 0.000) 0.000 6.016 ( 0.000 0.000 0.000) 0.000 6.071 ( 0.000 0.000 0.000) 0.000 6.308 ( 0.000 0.000 0.000) 0.000 6.574 ( 0.000 0.000 0.000) 0.000 6.584 ( 0.000 0.000 0.000) 0.000 6.666 ( 0.000 0.000 0.000) 0.000 7.180 ( 0.000 0.000 0.000) 0.000 7.198 ( 0.000 0.000 0.000) 0.000 7.780 ( 0.000 0.000 0.000) 0.000 7.826 ( 0.000 0.000 0.000) 0.000 7.844 ( 0.000 0.000 0.000) 0.000 7.885 ( 0.000 0.000 0.000) 0.000 8.343 ( 0.000 0.000 0.000) 0.000 8.449 ( 0.000 0.000 0.000) 0.000 8.453 ( 0.000 0.000 0.000) 0.000 8.650 ( 0.000 0.000 0.000) 0.000 8.794 ( 0.000 0.000 0.000) 0.000 9.207 ( 0.000 0.000 0.000) 0.000 9.367 ( 0.000 0.000 0.000) 0.000 9.595 ( 0.000 0.000 0.000) 0.000 9.717 ( 0.000 0.000 0.000) 0.000 9.973 ( 0.000 0.000 0.000) 0.000 10.074 ( 0.000 0.000 0.000) 0.000 10.265 ( 0.000 0.000 0.000) 0.000 10.399 ( 0.000 0.000 0.000) 0.000 10.483 ( 0.000 0.000 0.000) 0.000 10.711 ( 0.000 0.000 0.000) 0.000 11.065 ( 0.000 0.000 0.000) 0.000 11.140 ( 0.000 0.000 0.000) 0.000 11.369 ( 0.000 0.000 0.000) 0.000 11.782 ( 0.000 0.000 0.000) 0.000 11.879 ( 0.000 0.000 0.000) 0.000 12.000 ( 0.000 0.000 0.000) 0.000 14.288 ( 0.000 0.000 0.000) 0.000 14.537 ( 0.000 0.000 0.000) 0.000 14.721 ( 0.000 0.000 0.000) 0.000 14.779 ( 0.000 0.000 0.000) 0.000 14.824 ( 0.000 0.000 0.000) 0.000 14.999 ( 0.000 0.000 0.000) 0.000 15.486 ( 0.000 0.000 0.000) 0.000 15.934 ( 0.000 0.000 0.000) 0.000 16.669 ( 0.000 0.000 0.000) 0.000 16.777 ( 0.000 0.000 0.000) 0.000 17.164 ( 0.000 0.000 0.000) 0.000 18.211 ( 0.000 0.000 0.000) 0.000 18.265 ( 0.000 0.000 0.000) 0.000 18.319 ( 0.000 0.000 0.000) 0.000 18.788 ( 0.000 0.000 0.000) 0.000 18.836 ( 0.000 0.000 0.000) 0.000 21.489 ( 0.000 0.000 0.000) 0.000 21.523 ( 0.000 0.000 0.000) 0.000 21.850 ( 0.000 0.000 0.000) 0.000 21.893 ( 0.000 0.000 0.000) 0.000 21.928 ( 0.000 0.000 0.000) 0.000 22.739 ( 0.000 0.000 0.000) 0.000 22.876 ( 0.000 0.000 0.000) 0.000 23.001 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/90) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.386 ( 19.148 0.000 0.000) 19.148 0.509 ( 26.505 0.000 0.000) 26.505 0.926 ( 45.533 0.000 0.000) 45.533 1.273 ( 12.968 0.000 0.000) 12.968 1.673 ( 11.248 0.000 0.000) 11.248 1.892 ( -1.213 0.000 0.000) 1.213 1.937 ( 8.400 0.000 0.000) 8.400 2.850 ( 0.637 0.000 0.000) 0.637 2.933 ( -1.109 0.000 0.000) 1.109 3.106 ( 1.157 0.000 0.000) 1.157 3.170 ( -0.158 0.000 0.000) 0.158 3.209 ( -0.431 0.000 0.000) 0.431 3.988 ( -3.329 0.000 0.000) 3.329 4.143 ( -2.754 0.000 0.000) 2.754 4.148 ( -1.742 0.000 0.000) 1.742 4.416 ( -1.677 0.000 0.000) 1.677 4.700 ( -1.115 0.000 0.000) 1.115 4.799 ( 4.813 0.000 0.000) 4.813 4.867 ( -2.650 0.000 0.000) 2.650 5.222 ( 10.463 0.000 0.000) 10.463 5.354 ( -0.401 0.000 0.000) 0.401 5.362 ( -5.694 0.000 0.000) 5.694 5.446 ( -6.698 0.000 0.000) 6.698 5.555 ( -1.917 0.000 0.000) 1.917 5.697 ( 4.028 0.000 0.000) 4.028 5.828 ( 9.909 0.000 0.000) 9.909 5.841 ( 1.688 0.000 0.000) 1.688 5.953 ( -5.730 0.000 0.000) 5.730 6.239 ( 3.922 0.000 0.000) 3.922 6.581 ( 0.518 0.000 0.000) 0.518 6.635 ( 4.853 0.000 0.000) 4.853 6.684 ( 1.477 0.000 0.000) 1.477 7.083 ( 0.621 0.000 0.000) 0.621 7.135 ( -4.210 0.000 0.000) 4.210 7.153 ( -4.529 0.000 0.000) 4.529 7.741 ( -11.670 0.000 0.000) 11.670 7.746 ( -7.418 0.000 0.000) 7.418 7.775 ( -0.493 0.000 0.000) 0.493 7.836 ( -0.871 0.000 0.000) 0.871 8.287 ( -15.318 0.000 0.000) 15.318 8.475 ( 10.408 0.000 0.000) 10.408 8.506 ( 5.155 0.000 0.000) 5.155 8.690 ( 3.854 0.000 0.000) 3.854 8.842 ( 3.453 0.000 0.000) 3.453 9.193 ( -1.229 0.000 0.000) 1.229 9.352 ( -1.456 0.000 0.000) 1.456 9.605 ( 1.096 0.000 0.000) 1.096 9.802 ( 0.998 0.000 0.000) 0.998 9.956 ( -2.099 0.000 0.000) 2.099 10.044 ( -2.039 0.000 0.000) 2.039 10.290 ( 1.982 0.000 0.000) 1.982 10.430 ( 2.871 0.000 0.000) 2.871 10.683 ( -2.917 0.000 0.000) 2.917 10.702 ( -0.937 0.000 0.000) 0.937 11.071 ( 0.496 0.000 0.000) 0.496 11.132 ( -0.799 0.000 0.000) 0.799 11.305 ( -6.155 0.000 0.000) 6.155 11.684 ( -7.241 0.000 0.000) 7.241 11.955 ( 4.990 0.000 0.000) 4.990 12.019 ( 1.854 0.000 0.000) 1.854 14.291 ( 0.298 0.000 0.000) 0.298 14.572 ( -1.686 0.000 0.000) 1.686 14.713 ( -0.853 0.000 0.000) 0.853 14.745 ( -3.062 0.000 0.000) 3.062 14.839 ( 1.513 0.000 0.000) 1.513 15.013 ( 1.375 0.000 0.000) 1.375 15.472 ( -1.317 0.000 0.000) 1.317 15.908 ( -2.692 0.000 0.000) 2.692 16.884 ( 10.288 0.000 0.000) 10.288 17.162 ( -0.122 0.000 0.000) 0.122 17.581 ( 1.311 0.000 0.000) 1.311 18.179 ( -12.786 0.000 0.000) 12.786 18.212 ( 0.055 0.000 0.000) 0.055 18.265 ( -0.031 0.000 0.000) 0.031 18.828 ( 2.897 0.000 0.000) 2.897 18.839 ( 0.300 0.000 0.000) 0.300 21.560 ( 3.609 0.000 0.000) 3.609 21.865 ( 1.252 0.000 0.000) 1.252 21.931 ( 3.909 0.000 0.000) 3.909 21.942 ( 1.748 0.000 0.000) 1.748 22.735 ( -0.368 0.000 0.000) 0.368 22.847 ( -3.010 0.000 0.000) 3.010 22.877 ( -2.006 0.000 0.000) 2.006 22.969 ( -3.190 0.000 0.000) 3.190 ======================= Grid point 2 (3/90) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( 16.539 0.000 0.000) 16.539 1.014 ( 25.832 0.000 0.000) 25.832 1.581 ( 17.697 0.000 0.000) 17.697 1.619 ( 17.073 0.000 0.000) 17.073 1.942 ( 15.369 0.000 0.000) 15.369 1.943 ( 14.557 0.000 0.000) 14.557 2.136 ( 11.177 0.000 0.000) 11.177 2.797 ( -5.602 0.000 0.000) 5.602 2.971 ( 4.346 0.000 0.000) 4.346 3.130 ( 1.057 0.000 0.000) 1.057 3.162 ( -0.687 0.000 0.000) 0.687 3.198 ( -0.700 0.000 0.000) 0.700 3.906 ( -4.807 0.000 0.000) 4.807 4.070 ( -4.755 0.000 0.000) 4.755 4.124 ( 0.124 0.000 0.000) 0.124 4.385 ( -1.128 0.000 0.000) 1.128 4.671 ( -1.783 0.000 0.000) 1.783 4.801 ( -3.900 0.000 0.000) 3.900 4.922 ( 7.573 0.000 0.000) 7.573 5.276 ( -2.928 0.000 0.000) 2.928 5.331 ( -4.740 0.000 0.000) 4.740 5.371 ( 2.562 0.000 0.000) 2.562 5.459 ( 11.407 0.000 0.000) 11.407 5.498 ( -3.606 0.000 0.000) 3.606 5.772 ( 5.676 0.000 0.000) 5.676 5.817 ( -8.044 0.000 0.000) 8.044 5.911 ( 5.513 0.000 0.000) 5.513 6.026 ( 9.990 0.000 0.000) 9.990 6.310 ( 3.046 0.000 0.000) 3.046 6.578 ( -1.462 0.000 0.000) 1.462 6.682 ( -3.648 0.000 0.000) 3.648 6.745 ( 5.994 0.000 0.000) 5.994 7.046 ( -4.225 0.000 0.000) 4.225 7.051 ( -4.355 0.000 0.000) 4.355 7.096 ( 0.698 0.000 0.000) 0.698 7.513 ( -11.152 0.000 0.000) 11.152 7.580 ( -9.150 0.000 0.000) 9.150 7.759 ( -1.690 0.000 0.000) 1.690 7.814 ( -1.340 0.000 0.000) 1.340 7.920 ( -21.490 0.000 0.000) 21.490 8.615 ( 5.665 0.000 0.000) 5.665 8.664 ( 8.399 0.000 0.000) 8.399 8.781 ( 5.185 0.000 0.000) 5.185 8.899 ( 2.361 0.000 0.000) 2.361 9.170 ( -0.974 0.000 0.000) 0.974 9.314 ( -2.411 0.000 0.000) 2.411 9.636 ( 2.041 0.000 0.000) 2.041 9.830 ( 1.835 0.000 0.000) 1.835 9.894 ( -3.690 0.000 0.000) 3.690 10.020 ( -0.634 0.000 0.000) 0.634 10.323 ( 1.298 0.000 0.000) 1.298 10.491 ( 3.035 0.000 0.000) 3.035 10.611 ( -4.273 0.000 0.000) 4.273 10.676 ( -1.737 0.000 0.000) 1.737 11.076 ( -0.233 0.000 0.000) 0.233 11.118 ( -0.346 0.000 0.000) 0.346 11.166 ( -7.349 0.000 0.000) 7.349 11.535 ( -7.972 0.000 0.000) 7.972 12.043 ( 4.036 0.000 0.000) 4.036 12.064 ( 2.626 0.000 0.000) 2.626 14.300 ( 0.725 0.000 0.000) 0.725 14.527 ( -2.864 0.000 0.000) 2.864 14.682 ( -3.107 0.000 0.000) 3.107 14.690 ( -1.482 0.000 0.000) 1.482 14.879 ( 2.646 0.000 0.000) 2.646 15.046 ( 1.765 0.000 0.000) 1.765 15.445 ( -1.199 0.000 0.000) 1.199 15.834 ( -4.889 0.000 0.000) 4.889 17.125 ( 13.529 0.000 0.000) 13.529 17.163 ( 0.381 0.000 0.000) 0.381 17.613 ( 1.827 0.000 0.000) 1.827 17.893 ( -15.773 0.000 0.000) 15.773 18.213 ( 0.012 0.000 0.000) 0.012 18.262 ( -0.339 0.000 0.000) 0.339 18.846 ( 0.498 0.000 0.000) 0.498 18.871 ( 1.413 0.000 0.000) 1.413 21.646 ( 4.896 0.000 0.000) 4.896 21.881 ( 0.262 0.000 0.000) 0.262 22.008 ( 5.201 0.000 0.000) 5.201 22.039 ( 7.172 0.000 0.000) 7.172 22.724 ( -0.805 0.000 0.000) 0.805 22.762 ( -5.737 0.000 0.000) 5.737 22.820 ( -3.860 0.000 0.000) 3.860 22.892 ( -4.354 0.000 0.000) 4.354 ======================= Grid point 3 (4/90) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( 14.171 0.000 0.000) 14.171 1.489 ( 23.164 0.000 0.000) 23.164 1.632 ( -6.010 0.000 0.000) 6.010 1.901 ( 14.259 0.000 0.000) 14.259 2.220 ( 12.736 0.000 0.000) 12.736 2.329 ( 8.209 0.000 0.000) 8.209 2.342 ( 16.232 0.000 0.000) 16.232 2.660 ( -8.438 0.000 0.000) 8.438 3.064 ( 4.858 0.000 0.000) 4.858 3.144 ( 0.505 0.000 0.000) 0.505 3.150 ( -0.262 0.000 0.000) 0.262 3.186 ( -0.528 0.000 0.000) 0.528 3.821 ( -3.433 0.000 0.000) 3.433 3.964 ( -6.012 0.000 0.000) 6.012 4.184 ( 6.277 0.000 0.000) 6.277 4.380 ( 0.579 0.000 0.000) 0.579 4.640 ( -1.216 0.000 0.000) 1.216 4.728 ( -3.522 0.000 0.000) 3.522 5.076 ( 8.132 0.000 0.000) 8.132 5.253 ( 0.551 0.000 0.000) 0.551 5.271 ( -1.525 0.000 0.000) 1.525 5.433 ( -2.917 0.000 0.000) 2.917 5.448 ( 4.048 0.000 0.000) 4.048 5.544 ( -1.916 0.000 0.000) 1.916 5.673 ( -4.761 0.000 0.000) 4.761 6.010 ( 18.169 0.000 0.000) 18.169 6.042 ( 7.760 0.000 0.000) 7.760 6.195 ( 7.191 0.000 0.000) 7.191 6.350 ( 1.105 0.000 0.000) 1.105 6.487 ( -15.847 0.000 0.000) 15.847 6.510 ( -5.388 0.000 0.000) 5.388 6.844 ( 3.672 0.000 0.000) 3.672 6.994 ( -1.121 0.000 0.000) 1.121 7.044 ( 3.240 0.000 0.000) 3.240 7.108 ( 0.614 0.000 0.000) 0.614 7.325 ( -8.268 0.000 0.000) 8.268 7.412 ( -8.123 0.000 0.000) 8.123 7.444 ( -24.482 0.000 0.000) 24.482 7.761 ( -0.666 0.000 0.000) 0.666 7.787 ( -1.306 0.000 0.000) 1.306 8.713 ( 4.382 0.000 0.000) 4.382 8.781 ( 3.630 0.000 0.000) 3.630 8.874 ( 4.159 0.000 0.000) 4.159 8.934 ( 1.363 0.000 0.000) 1.363 9.162 ( 0.245 0.000 0.000) 0.245 9.264 ( -2.663 0.000 0.000) 2.663 9.682 ( 2.623 0.000 0.000) 2.623 9.831 ( -2.821 0.000 0.000) 2.821 9.871 ( 2.480 0.000 0.000) 2.480 10.007 ( -0.978 0.000 0.000) 0.978 10.344 ( 1.177 0.000 0.000) 1.177 10.526 ( -4.429 0.000 0.000) 4.429 10.538 ( 1.769 0.000 0.000) 1.769 10.638 ( -2.186 0.000 0.000) 2.186 11.052 ( -4.064 0.000 0.000) 4.064 11.060 ( -1.370 0.000 0.000) 1.370 11.127 ( 1.409 0.000 0.000) 1.409 11.386 ( -7.276 0.000 0.000) 7.276 12.107 ( 2.594 0.000 0.000) 2.594 12.112 ( 2.145 0.000 0.000) 2.145 14.320 ( 1.385 0.000 0.000) 1.385 14.466 ( -3.286 0.000 0.000) 3.286 14.635 ( -1.609 0.000 0.000) 1.609 14.659 ( -1.625 0.000 0.000) 1.625 14.936 ( 3.183 0.000 0.000) 3.183 15.067 ( 0.183 0.000 0.000) 0.183 15.443 ( 1.337 0.000 0.000) 1.337 15.726 ( -6.140 0.000 0.000) 6.140 17.184 ( 2.028 0.000 0.000) 2.028 17.368 ( 11.241 0.000 0.000) 11.241 17.606 ( -13.501 0.000 0.000) 13.501 17.641 ( 0.778 0.000 0.000) 0.778 18.213 ( 0.064 0.000 0.000) 0.064 18.251 ( -0.824 0.000 0.000) 0.824 18.857 ( 0.594 0.000 0.000) 0.594 18.884 ( 0.109 0.000 0.000) 0.109 21.736 ( 4.297 0.000 0.000) 4.297 21.876 ( -0.728 0.000 0.000) 0.728 22.134 ( 7.660 0.000 0.000) 7.660 22.199 ( 9.155 0.000 0.000) 9.155 22.630 ( -7.817 0.000 0.000) 7.817 22.685 ( -4.594 0.000 0.000) 4.594 22.750 ( -2.051 0.000 0.000) 2.051 22.814 ( -3.506 0.000 0.000) 3.506 ======================= Grid point 4 (5/90) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( 11.922 0.000 0.000) 11.922 1.480 ( -9.468 0.000 0.000) 9.468 1.882 ( 16.752 0.000 0.000) 16.752 2.062 ( 0.133 0.000 0.000) 0.133 2.414 ( 7.300 0.000 0.000) 7.300 2.436 ( 3.074 0.000 0.000) 3.074 2.488 ( 0.410 0.000 0.000) 0.410 2.504 ( -6.142 0.000 0.000) 6.142 3.143 ( 2.980 0.000 0.000) 2.980 3.152 ( 0.361 0.000 0.000) 0.361 3.153 ( 0.307 0.000 0.000) 0.307 3.176 ( -0.742 0.000 0.000) 0.742 3.792 ( 0.776 0.000 0.000) 0.776 3.852 ( -5.085 0.000 0.000) 5.085 4.323 ( 6.380 0.000 0.000) 6.380 4.388 ( -0.625 0.000 0.000) 0.625 4.632 ( 0.664 0.000 0.000) 0.664 4.668 ( -2.711 0.000 0.000) 2.711 5.215 ( 5.459 0.000 0.000) 5.459 5.261 ( -0.236 0.000 0.000) 0.236 5.299 ( 4.254 0.000 0.000) 4.254 5.400 ( 0.266 0.000 0.000) 0.266 5.408 ( -6.340 0.000 0.000) 6.340 5.462 ( -5.184 0.000 0.000) 5.184 5.779 ( 14.369 0.000 0.000) 14.369 6.121 ( -19.248 0.000 0.000) 19.248 6.198 ( 8.234 0.000 0.000) 8.234 6.311 ( 3.338 0.000 0.000) 3.338 6.324 ( 1.044 0.000 0.000) 1.044 6.352 ( -0.907 0.000 0.000) 0.907 6.462 ( 13.215 0.000 0.000) 13.215 6.816 ( -12.180 0.000 0.000) 12.180 6.989 ( 0.294 0.000 0.000) 0.294 7.045 ( -10.786 0.000 0.000) 10.786 7.127 ( 1.599 0.000 0.000) 1.599 7.132 ( 4.488 0.000 0.000) 4.488 7.205 ( -3.474 0.000 0.000) 3.474 7.270 ( -6.655 0.000 0.000) 6.655 7.757 ( 0.142 0.000 0.000) 0.142 7.766 ( -0.827 0.000 0.000) 0.827 8.781 ( 2.626 0.000 0.000) 2.626 8.810 ( -0.242 0.000 0.000) 0.242 8.933 ( 1.945 0.000 0.000) 1.945 8.950 ( 0.113 0.000 0.000) 0.113 9.179 ( 1.463 0.000 0.000) 1.463 9.216 ( -2.287 0.000 0.000) 2.287 9.733 ( 2.665 0.000 0.000) 2.665 9.782 ( -2.429 0.000 0.000) 2.429 9.923 ( 2.842 0.000 0.000) 2.842 9.975 ( -2.341 0.000 0.000) 2.341 10.380 ( 2.686 0.000 0.000) 2.686 10.445 ( -3.929 0.000 0.000) 3.929 10.565 ( 1.367 0.000 0.000) 1.367 10.597 ( -1.939 0.000 0.000) 1.939 11.013 ( -0.259 0.000 0.000) 0.259 11.029 ( -1.568 0.000 0.000) 1.568 11.174 ( 3.529 0.000 0.000) 3.529 11.262 ( -5.567 0.000 0.000) 5.567 12.141 ( 0.887 0.000 0.000) 0.887 12.141 ( 0.818 0.000 0.000) 0.818 14.355 ( 2.228 0.000 0.000) 2.228 14.405 ( -2.985 0.000 0.000) 2.985 14.620 ( -0.022 0.000 0.000) 0.022 14.632 ( -1.119 0.000 0.000) 1.119 14.998 ( 3.060 0.000 0.000) 3.060 15.048 ( -2.031 0.000 0.000) 2.031 15.501 ( 4.537 0.000 0.000) 4.537 15.606 ( -6.122 0.000 0.000) 6.122 17.250 ( 5.068 0.000 0.000) 5.068 17.386 ( -9.239 0.000 0.000) 9.239 17.543 ( 6.807 0.000 0.000) 6.807 17.630 ( -2.300 0.000 0.000) 2.300 18.218 ( 0.508 0.000 0.000) 0.508 18.233 ( -0.964 0.000 0.000) 0.964 18.869 ( 0.614 0.000 0.000) 0.614 18.880 ( -0.467 0.000 0.000) 0.467 21.807 ( 3.033 0.000 0.000) 3.033 21.853 ( -1.773 0.000 0.000) 1.773 22.295 ( 8.878 0.000 0.000) 8.878 22.381 ( 9.495 0.000 0.000) 9.495 22.468 ( -8.920 0.000 0.000) 8.920 22.554 ( -8.263 0.000 0.000) 8.263 22.740 ( 0.432 0.000 0.000) 0.432 22.762 ( -1.908 0.000 0.000) 1.908 ======================= Grid point 9 (6/90) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.526 ( 0.000 23.973 0.000) 23.973 0.581 ( 0.000 26.574 0.000) 26.574 1.013 ( 0.000 48.088 0.000) 48.088 1.171 ( 0.000 0.453 0.000) 0.453 1.446 ( 0.000 -10.187 0.000) 10.187 1.524 ( 0.000 -1.036 0.000) 1.036 1.782 ( 0.000 -6.564 0.000) 6.564 2.660 ( 0.000 -26.864 0.000) 26.864 2.827 ( 0.000 -0.437 0.000) 0.437 2.926 ( 0.000 -6.742 0.000) 6.742 3.130 ( 0.000 3.305 0.000) 3.305 3.252 ( 0.000 0.458 0.000) 0.458 4.039 ( 0.000 1.827 0.000) 1.827 4.146 ( 0.000 -2.040 0.000) 2.040 4.426 ( 0.000 -0.224 0.000) 0.224 4.495 ( 0.000 -2.427 0.000) 2.427 4.805 ( 0.000 1.603 0.000) 1.603 4.865 ( 0.000 10.503 0.000) 10.503 4.882 ( 0.000 -1.194 0.000) 1.194 5.191 ( 0.000 6.495 0.000) 6.495 5.396 ( 0.000 3.087 0.000) 3.087 5.409 ( 0.000 -11.007 0.000) 11.007 5.505 ( 0.000 -5.854 0.000) 5.854 5.538 ( 0.000 2.637 0.000) 2.637 5.619 ( 0.000 4.715 0.000) 4.715 5.759 ( 0.000 3.002 0.000) 3.002 5.822 ( 0.000 -0.616 0.000) 0.616 5.971 ( 0.000 -4.634 0.000) 4.634 6.156 ( 0.000 7.358 0.000) 7.358 6.346 ( 0.000 3.472 0.000) 3.472 6.526 ( 0.000 -5.278 0.000) 5.278 6.551 ( 0.000 -7.985 0.000) 7.985 7.210 ( 0.000 1.303 0.000) 1.303 7.312 ( 0.000 10.537 0.000) 10.537 7.319 ( 0.000 -2.926 0.000) 2.926 7.726 ( 0.000 -6.304 0.000) 6.304 7.808 ( 0.000 -0.475 0.000) 0.475 7.819 ( 0.000 -0.946 0.000) 0.946 7.984 ( 0.000 7.808 0.000) 7.808 8.363 ( 0.000 1.813 0.000) 1.813 8.369 ( 0.000 -7.638 0.000) 7.638 8.438 ( 0.000 -1.044 0.000) 1.044 8.680 ( 0.000 2.917 0.000) 2.917 8.902 ( 0.000 -6.470 0.000) 6.470 9.226 ( 0.000 1.878 0.000) 1.878 9.339 ( 0.000 -2.449 0.000) 2.449 9.709 ( 0.000 9.641 0.000) 9.641 9.782 ( 0.000 5.645 0.000) 5.645 10.000 ( 0.000 -0.400 0.000) 0.400 10.061 ( 0.000 1.664 0.000) 1.664 10.156 ( 0.000 -9.187 0.000) 9.187 10.370 ( 0.000 -8.898 0.000) 8.898 10.787 ( 0.000 6.040 0.000) 6.040 11.022 ( 0.000 -3.918 0.000) 3.918 11.276 ( 0.000 10.979 0.000) 10.979 11.289 ( 0.000 1.587 0.000) 1.587 11.357 ( 0.000 -1.171 0.000) 1.171 11.709 ( 0.000 -6.897 0.000) 6.897 11.899 ( 0.000 1.813 0.000) 1.813 11.986 ( 0.000 -1.557 0.000) 1.557 14.327 ( 0.000 3.564 0.000) 3.564 14.502 ( 0.000 -3.184 0.000) 3.184 14.730 ( 0.000 0.775 0.000) 0.775 14.770 ( 0.000 -0.781 0.000) 0.781 14.850 ( 0.000 2.386 0.000) 2.386 14.973 ( 0.000 -2.359 0.000) 2.359 15.949 ( 0.000 1.366 0.000) 1.366 16.021 ( 0.000 -1.386 0.000) 1.386 16.685 ( 0.000 1.467 0.000) 1.467 16.761 ( 0.000 -1.460 0.000) 1.460 18.219 ( 0.000 0.714 0.000) 0.714 18.257 ( 0.000 -0.750 0.000) 0.750 18.321 ( 0.000 0.159 0.000) 0.159 18.327 ( 0.000 -0.094 0.000) 0.094 18.795 ( 0.000 0.632 0.000) 0.632 18.828 ( 0.000 -0.653 0.000) 0.653 21.494 ( 0.000 0.466 0.000) 0.466 21.518 ( 0.000 -0.443 0.000) 0.443 21.856 ( 0.000 0.579 0.000) 0.579 21.887 ( 0.000 -0.602 0.000) 0.602 22.755 ( 0.000 1.535 0.000) 1.535 22.849 ( 0.000 -2.267 0.000) 2.267 23.018 ( 0.000 1.297 0.000) 1.297 23.061 ( 0.000 -0.564 0.000) 0.564 ======================= Grid point 10 (7/90) ======================= q-point: ( 0.11 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( 15.012 17.461 0.000) 23.027 0.688 ( 9.319 22.153 0.000) 24.034 1.276 ( 10.466 -2.522 0.000) 10.765 1.354 ( 29.078 31.852 0.000) 43.129 1.536 ( 5.432 -18.484 0.000) 19.266 1.646 ( 11.737 -0.451 0.000) 11.745 1.897 ( 10.743 -4.671 0.000) 11.714 2.668 ( 0.846 -22.095 0.000) 22.111 2.855 ( 2.845 -0.559 0.000) 2.900 2.982 ( 4.102 -8.814 0.000) 9.722 3.154 ( 2.126 3.459 0.000) 4.060 3.256 ( 0.186 1.241 0.000) 1.255 4.005 ( -3.298 1.681 0.000) 3.702 4.085 ( -4.361 -1.257 0.000) 4.539 4.431 ( 0.134 1.053 0.000) 1.062 4.461 ( -4.743 5.520 0.000) 7.278 4.694 ( -5.131 2.594 0.000) 5.749 4.841 ( -3.701 -2.218 0.000) 4.315 4.920 ( 3.965 9.675 0.000) 10.456 5.262 ( 5.365 4.832 0.000) 7.220 5.329 ( -3.844 -5.916 0.000) 7.055 5.365 ( -2.124 2.413 0.000) 3.214 5.514 ( -6.556 5.879 0.000) 8.806 5.565 ( 1.159 -3.467 0.000) 3.656 5.627 ( 5.641 -4.200 0.000) 7.033 5.806 ( -0.372 -3.313 0.000) 3.334 5.872 ( 8.290 3.032 0.000) 8.827 5.950 ( -0.367 -0.684 0.000) 0.776 6.228 ( 4.982 2.742 0.000) 5.687 6.436 ( 7.572 -2.338 0.000) 7.925 6.540 ( -0.192 -4.221 0.000) 4.226 6.563 ( 2.152 -8.530 0.000) 8.798 7.168 ( -4.127 1.450 0.000) 4.374 7.234 ( -5.825 1.518 0.000) 6.019 7.270 ( -3.947 10.376 0.000) 11.101 7.667 ( -6.022 -6.656 0.000) 8.976 7.785 ( -6.365 2.533 0.000) 6.850 7.795 ( -0.831 0.686 0.000) 1.077 7.860 ( -6.540 3.848 0.000) 7.587 8.198 ( -13.881 -7.846 0.000) 15.945 8.490 ( 9.631 1.347 0.000) 9.725 8.519 ( 5.336 0.716 0.000) 5.384 8.720 ( 3.850 2.973 0.000) 4.865 8.916 ( 0.866 -2.317 0.000) 2.473 9.215 ( -1.143 1.972 0.000) 2.279 9.326 ( -1.354 -2.355 0.000) 2.717 9.707 ( 0.048 10.009 0.000) 10.010 9.795 ( 1.299 2.935 0.000) 3.209 9.965 ( -3.194 -1.536 0.000) 3.544 10.044 ( -1.046 2.112 0.000) 2.357 10.189 ( 2.409 -8.290 0.000) 8.633 10.361 ( -0.652 -8.331 0.000) 8.357 10.773 ( -1.452 5.650 0.000) 5.834 10.939 ( -11.515 6.495 0.000) 13.220 11.049 ( -5.680 4.153 0.000) 7.036 11.282 ( -6.999 -2.345 0.000) 7.381 11.315 ( -0.734 10.575 0.000) 10.601 11.641 ( -5.705 -4.446 0.000) 7.233 11.956 ( 4.470 0.405 0.000) 4.488 12.008 ( 2.120 -1.133 0.000) 2.404 14.327 ( 0.015 3.310 0.000) 3.310 14.499 ( -0.663 -4.131 0.000) 4.184 14.703 ( -1.964 0.109 0.000) 1.967 14.735 ( -3.092 -0.855 0.000) 3.208 14.867 ( 1.699 2.580 0.000) 3.089 14.997 ( 2.125 -2.258 0.000) 3.101 15.778 ( -13.415 12.565 0.000) 18.381 15.912 ( -3.549 0.293 0.000) 3.562 16.873 ( 10.521 -0.913 0.000) 10.561 16.923 ( 13.797 -7.503 0.000) 15.705 17.979 ( -20.073 14.983 0.000) 25.048 18.174 ( -13.102 -0.614 0.000) 13.116 18.219 ( -0.057 0.637 0.000) 0.639 18.257 ( -0.127 -0.758 0.000) 0.769 18.832 ( 2.669 0.438 0.000) 2.705 18.846 ( 0.679 0.254 0.000) 0.724 21.565 ( 4.491 0.598 0.000) 4.531 21.704 ( 12.124 -9.778 0.000) 15.576 21.881 ( 2.634 0.693 0.000) 2.724 21.923 ( 3.685 -0.799 0.000) 3.771 22.750 ( -0.524 1.362 0.000) 1.460 22.827 ( -2.214 -1.694 0.000) 2.788 22.958 ( -7.219 2.782 0.000) 7.737 22.975 ( -4.137 0.482 0.000) 4.165 ======================= Grid point 11 (8/90) ======================= q-point: ( 0.22 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( 9.777 12.840 0.000) 16.138 1.018 ( 17.794 3.904 0.000) 18.217 1.536 ( 15.216 -6.232 0.000) 16.443 1.599 ( 2.638 -11.929 0.000) 12.217 1.923 ( 15.628 0.286 0.000) 15.630 1.940 ( 27.046 10.515 0.000) 29.018 2.146 ( 14.738 1.025 0.000) 14.774 2.689 ( 1.086 -10.921 0.000) 10.975 2.928 ( 4.420 -1.337 0.000) 4.618 3.046 ( 2.460 -7.418 0.000) 7.815 3.196 ( 1.888 4.182 0.000) 4.588 3.254 ( -0.365 2.845 0.000) 2.868 3.928 ( -4.287 2.105 0.000) 4.776 4.027 ( -1.466 -1.839 0.000) 2.352 4.324 ( -7.902 10.803 0.000) 13.385 4.417 ( -1.564 2.288 0.000) 2.771 4.649 ( -0.697 -0.847 0.000) 1.097 4.768 ( -3.429 -3.196 0.000) 4.687 5.012 ( 5.486 7.259 0.000) 9.099 5.237 ( -1.938 -2.733 0.000) 3.350 5.328 ( -1.700 -0.691 0.000) 1.835 5.342 ( -3.915 1.068 0.000) 4.058 5.478 ( 4.748 0.382 0.000) 4.764 5.537 ( -1.598 -0.635 0.000) 1.720 5.753 ( 8.873 -0.678 0.000) 8.899 5.810 ( -2.028 0.086 0.000) 2.030 5.963 ( 3.227 3.669 0.000) 4.886 6.037 ( 8.405 0.504 0.000) 8.420 6.312 ( 3.317 0.496 0.000) 3.354 6.500 ( -4.363 -6.908 0.000) 8.171 6.583 ( 7.266 -7.821 0.000) 10.675 6.603 ( 0.681 -4.605 0.000) 4.655 7.080 ( -3.891 2.780 0.000) 4.782 7.163 ( -1.529 1.682 0.000) 2.274 7.186 ( -4.148 9.958 0.000) 10.788 7.524 ( -8.001 -5.166 0.000) 9.523 7.567 ( -12.892 5.117 0.000) 13.871 7.777 ( -2.224 0.810 0.000) 2.366 7.812 ( -1.255 -0.186 0.000) 1.269 7.865 ( -19.303 -5.066 0.000) 19.957 8.626 ( 5.538 1.041 0.000) 5.635 8.660 ( 7.404 -0.372 0.000) 7.413 8.808 ( 4.767 2.542 0.000) 5.403 8.928 ( 0.443 0.050 0.000) 0.446 9.189 ( -1.245 1.798 0.000) 2.187 9.290 ( -2.273 -2.142 0.000) 3.123 9.717 ( 1.038 8.430 0.000) 8.494 9.828 ( 2.035 0.840 0.000) 2.202 9.901 ( -3.021 -0.446 0.000) 3.053 10.025 ( -1.029 1.205 0.000) 1.585 10.229 ( 1.616 -7.840 0.000) 8.005 10.352 ( -0.393 -9.100 0.000) 9.109 10.735 ( -2.389 4.785 0.000) 5.348 10.773 ( -5.050 9.414 0.000) 10.683 10.989 ( -2.486 -2.844 0.000) 3.777 11.131 ( -7.657 -3.414 0.000) 8.384 11.294 ( -1.198 9.514 0.000) 9.589 11.520 ( -6.452 -1.773 0.000) 6.691 12.040 ( 4.053 -0.079 0.000) 4.054 12.059 ( 2.886 -0.537 0.000) 2.935 14.329 ( 0.204 2.604 0.000) 2.612 14.474 ( -1.846 -3.859 0.000) 4.278 14.668 ( -1.641 -1.035 0.000) 1.940 14.673 ( -2.975 -0.705 0.000) 3.057 14.912 ( 2.946 2.985 0.000) 4.194 15.047 ( 2.968 -1.421 0.000) 3.291 15.590 ( -7.024 10.525 0.000) 12.653 15.822 ( -5.700 -1.394 0.000) 5.868 17.108 ( 12.475 -1.417 0.000) 12.556 17.108 ( 5.934 -2.984 0.000) 6.642 17.735 ( -6.398 8.240 0.000) 10.432 17.892 ( -14.698 -0.330 0.000) 14.702 18.216 ( -0.204 0.401 0.000) 0.450 18.252 ( -0.414 -0.873 0.000) 0.966 18.855 ( 0.374 0.650 0.000) 0.750 18.870 ( 1.168 -0.059 0.000) 1.170 21.667 ( 5.592 2.174 0.000) 6.000 21.851 ( 3.863 -4.522 0.000) 5.947 21.961 ( 5.758 -1.015 0.000) 5.846 22.023 ( 6.559 -1.503 0.000) 6.729 22.734 ( -1.191 0.853 0.000) 1.465 22.761 ( -4.774 -0.139 0.000) 4.776 22.837 ( -5.473 1.187 0.000) 5.600 22.881 ( -4.956 -0.965 0.000) 5.049 ======================= Grid point 12 (9/90) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( 8.588 3.042 0.000) 9.110 1.281 ( 7.341 -10.881 0.000) 13.126 1.684 ( 7.796 -1.217 0.000) 7.891 1.805 ( 11.520 -8.472 0.000) 14.300 2.205 ( 13.040 0.692 0.000) 13.058 2.294 ( 11.303 -0.806 0.000) 11.332 2.450 ( 13.552 7.784 0.000) 15.628 2.695 ( -0.855 0.941 0.000) 1.272 3.012 ( 4.019 -2.452 0.000) 4.708 3.083 ( 1.510 -4.765 0.000) 4.998 3.223 ( 1.085 4.762 0.000) 4.884 3.245 ( -0.356 3.879 0.000) 3.896 3.853 ( -3.148 3.090 0.000) 4.411 3.995 ( -3.784 0.083 0.000) 3.785 4.229 ( 0.165 5.040 0.000) 5.042 4.386 ( -1.290 -0.138 0.000) 1.298 4.645 ( 0.156 0.718 0.000) 0.735 4.715 ( -2.129 -1.313 0.000) 2.502 5.116 ( 4.292 3.521 0.000) 5.551 5.239 ( 0.567 -1.295 0.000) 1.414 5.258 ( -2.242 -1.020 0.000) 2.463 5.312 ( 0.974 -4.880 0.000) 4.977 5.530 ( 0.122 -0.861 0.000) 0.870 5.555 ( 3.487 1.813 0.000) 3.930 5.710 ( -6.666 5.317 0.000) 8.527 5.989 ( 13.313 -2.724 0.000) 13.588 6.081 ( 7.937 3.284 0.000) 8.590 6.184 ( 6.878 -1.646 0.000) 7.073 6.349 ( 0.619 -0.082 0.000) 0.625 6.371 ( -7.532 -4.158 0.000) 8.603 6.560 ( -5.150 0.348 0.000) 5.162 6.711 ( 6.113 -8.996 0.000) 10.876 7.040 ( -1.412 3.986 0.000) 4.229 7.130 ( -1.019 7.154 0.000) 7.226 7.157 ( 0.395 1.607 0.000) 1.655 7.336 ( -10.171 0.897 0.000) 10.211 7.380 ( -6.925 -2.942 0.000) 7.524 7.412 ( -24.405 -2.888 0.000) 24.576 7.776 ( -0.453 1.099 0.000) 1.188 7.791 ( -0.922 0.255 0.000) 0.957 8.721 ( 4.195 0.743 0.000) 4.260 8.766 ( 3.573 -1.189 0.000) 3.766 8.888 ( 3.330 1.229 0.000) 3.549 8.937 ( 0.518 -0.193 0.000) 0.552 9.173 ( -0.343 1.022 0.000) 1.078 9.244 ( -2.395 -1.773 0.000) 2.980 9.745 ( 1.749 6.340 0.000) 6.577 9.854 ( -1.999 1.575 0.000) 2.545 9.870 ( 2.324 0.176 0.000) 2.331 10.001 ( -1.551 -0.390 0.000) 1.599 10.255 ( 1.348 -7.314 0.000) 7.437 10.341 ( -0.819 -9.355 0.000) 9.391 10.691 ( -1.922 4.618 0.000) 5.002 10.708 ( -2.386 8.048 0.000) 8.394 10.949 ( -1.473 -5.246 0.000) 5.448 11.010 ( -4.754 -3.825 0.000) 6.102 11.276 ( -0.568 7.809 0.000) 7.830 11.404 ( -5.385 0.907 0.000) 5.461 12.106 ( 2.657 -0.087 0.000) 2.658 12.110 ( 2.273 -0.174 0.000) 2.280 14.337 ( 0.681 1.551 0.000) 1.694 14.433 ( -2.304 -2.644 0.000) 3.507 14.629 ( -1.556 -0.482 0.000) 1.629 14.640 ( -1.321 -1.244 0.000) 1.814 14.977 ( 3.664 3.597 0.000) 5.134 15.098 ( 1.865 0.752 0.000) 2.011 15.494 ( -2.871 5.103 0.000) 5.855 15.701 ( -6.603 -2.525 0.000) 7.069 17.180 ( 2.385 0.175 0.000) 2.392 17.302 ( 6.195 -4.894 0.000) 7.895 17.660 ( -7.968 3.624 0.000) 8.753 17.679 ( -0.747 2.711 0.000) 2.812 18.211 ( -0.223 -0.005 0.000) 0.223 18.240 ( -0.857 -0.950 0.000) 1.279 18.862 ( 0.377 0.421 0.000) 0.565 18.881 ( 0.057 -0.310 0.000) 0.315 21.767 ( 4.542 2.906 0.000) 5.392 21.887 ( 0.515 0.238 0.000) 0.567 22.091 ( 7.364 -2.737 0.000) 7.856 22.163 ( 7.527 -3.181 0.000) 8.172 22.647 ( -6.651 1.425 0.000) 6.802 22.687 ( -4.497 0.014 0.000) 4.497 22.757 ( -2.162 0.632 0.000) 2.253 22.802 ( -3.185 -1.108 0.000) 3.372 ======================= Grid point 13 (10/90) ======================= q-point: ( 0.44 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( 6.754 -5.344 0.000) 8.613 1.304 ( -3.127 -11.984 0.000) 12.385 1.865 ( 8.344 -2.267 0.000) 8.647 1.937 ( 1.548 -7.935 0.000) 8.084 2.405 ( 7.150 0.693 0.000) 7.184 2.440 ( 3.756 -0.007 0.000) 3.756 2.595 ( 2.931 8.313 0.000) 8.815 2.650 ( -3.397 8.259 0.000) 8.930 3.074 ( 2.358 -3.232 0.000) 4.000 3.099 ( -0.141 -3.569 0.000) 3.571 3.242 ( 0.772 4.695 0.000) 4.758 3.245 ( 0.257 4.392 0.000) 4.400 3.825 ( 0.776 3.048 0.000) 3.145 3.889 ( -5.476 2.422 0.000) 5.988 4.302 ( 4.814 -1.443 0.000) 5.026 4.364 ( -1.602 -2.400 0.000) 2.886 4.656 ( 0.992 1.962 0.000) 2.198 4.681 ( -1.544 1.053 0.000) 1.869 5.157 ( 0.970 -2.894 0.000) 3.053 5.187 ( -2.434 -3.918 0.000) 4.613 5.322 ( 4.695 -0.154 0.000) 4.697 5.362 ( 1.934 -2.861 0.000) 3.453 5.513 ( -1.019 4.610 0.000) 4.721 5.544 ( -4.961 10.070 0.000) 11.225 5.737 ( 11.174 -4.020 0.000) 11.875 5.992 ( -12.417 -9.856 0.000) 15.853 6.246 ( 8.834 4.149 0.000) 9.760 6.293 ( 3.148 0.379 0.000) 3.171 6.342 ( -1.127 -0.731 0.000) 1.343 6.418 ( -6.227 0.691 0.000) 6.265 6.481 ( 17.385 5.691 0.000) 18.293 6.811 ( 1.498 -2.986 0.000) 3.341 6.943 ( -20.048 -4.240 0.000) 20.491 6.961 ( -6.216 -1.826 0.000) 6.478 7.159 ( 2.690 1.907 0.000) 3.297 7.170 ( 0.480 1.294 0.000) 1.380 7.217 ( -1.818 0.950 0.000) 2.051 7.267 ( -5.047 -0.458 0.000) 5.068 7.772 ( 0.023 1.140 0.000) 1.140 7.777 ( -0.492 0.824 0.000) 0.959 8.783 ( 2.142 0.195 0.000) 2.151 8.801 ( 0.295 -0.686 0.000) 0.747 8.933 ( 1.406 0.009 0.000) 1.406 8.944 ( 0.087 -0.461 0.000) 0.469 9.178 ( 0.791 -0.047 0.000) 0.793 9.203 ( -1.781 -1.062 0.000) 2.074 9.781 ( 1.961 4.533 0.000) 4.939 9.818 ( -1.847 3.102 0.000) 3.610 9.916 ( 2.460 -0.524 0.000) 2.515 9.963 ( -2.315 -1.061 0.000) 2.547 10.286 ( 1.831 -7.157 0.000) 7.388 10.319 ( -1.457 -8.202 0.000) 8.330 10.666 ( -0.543 5.601 0.000) 5.627 10.673 ( -1.189 6.956 0.000) 7.057 10.934 ( -0.116 -5.953 0.000) 5.954 10.948 ( -1.776 -4.993 0.000) 5.300 11.279 ( 1.033 5.997 0.000) 6.085 11.320 ( -3.292 3.641 0.000) 4.909 12.140 ( 0.918 -0.041 0.000) 0.919 12.141 ( 0.844 -0.043 0.000) 0.846 14.356 ( 1.388 0.251 0.000) 1.411 14.390 ( -2.055 -1.191 0.000) 2.375 14.613 ( -0.194 -0.544 0.000) 0.577 14.619 ( -0.766 -0.901 0.000) 1.183 15.048 ( 3.550 4.227 0.000) 5.520 15.102 ( -1.635 3.670 0.000) 4.017 15.491 ( 2.613 -0.400 0.000) 2.644 15.578 ( -5.891 -2.605 0.000) 6.441 17.229 ( 3.231 -1.243 0.000) 3.462 17.306 ( -4.034 -5.012 0.000) 6.434 17.624 ( 2.372 4.920 0.000) 5.462 17.666 ( -1.306 2.544 0.000) 2.859 18.211 ( 0.258 -0.503 0.000) 0.565 18.222 ( -0.870 -0.861 0.000) 1.224 18.869 ( 0.416 0.070 0.000) 0.421 18.877 ( -0.356 -0.221 0.000) 0.419 21.839 ( 2.935 2.861 0.000) 4.099 21.879 ( -1.287 2.113 0.000) 2.475 22.230 ( 6.480 -4.649 0.000) 7.975 22.280 ( 2.930 -6.289 0.000) 6.938 22.539 ( -2.885 3.735 0.000) 4.719 22.580 ( -5.500 1.573 0.000) 5.721 22.742 ( 0.110 0.169 0.000) 0.201 22.757 ( -1.525 -0.435 0.000) 1.585 ======================= Grid point 18 (11/90) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( 0.000 -7.870 0.000) 7.870 0.914 ( 0.000 7.870 0.000) 7.870 1.165 ( 0.000 -12.278 0.000) 12.278 1.165 ( 0.000 12.278 0.000) 12.278 1.612 ( 0.000 -8.463 0.000) 8.463 1.612 ( 0.000 8.463 0.000) 8.463 1.941 ( 0.000 -41.496 0.000) 41.496 1.941 ( 0.000 41.496 0.000) 41.496 2.836 ( 0.000 -1.972 0.000) 1.972 2.836 ( 0.000 1.972 0.000) 1.972 3.210 ( 0.000 -3.804 0.000) 3.804 3.210 ( 0.000 3.804 0.000) 3.804 4.091 ( 0.000 -2.957 0.000) 2.957 4.091 ( 0.000 2.957 0.000) 2.957 4.444 ( 0.000 -2.012 0.000) 2.012 4.444 ( 0.000 2.012 0.000) 2.012 4.846 ( 0.000 -2.147 0.000) 2.147 4.846 ( 0.000 2.147 0.000) 2.147 5.131 ( 0.000 -13.953 0.000) 13.953 5.131 ( 0.000 13.953 0.000) 13.953 5.358 ( 0.000 -7.846 0.000) 7.846 5.358 ( 0.000 7.846 0.000) 7.846 5.478 ( 0.000 -4.518 0.000) 4.518 5.478 ( 0.000 4.518 0.000) 4.518 5.803 ( 0.000 -1.391 0.000) 1.391 5.803 ( 0.000 1.391 0.000) 1.391 5.820 ( 0.000 -9.871 0.000) 9.871 5.820 ( 0.000 9.871 0.000) 9.871 6.339 ( 0.000 -9.869 0.000) 9.869 6.339 ( 0.000 9.869 0.000) 9.869 6.438 ( 0.000 -5.105 0.000) 5.105 6.438 ( 0.000 5.105 0.000) 5.105 7.254 ( 0.000 -2.927 0.000) 2.927 7.254 ( 0.000 2.927 0.000) 2.927 7.542 ( 0.000 -10.858 0.000) 10.858 7.542 ( 0.000 10.858 0.000) 10.858 7.808 ( 0.000 -0.279 0.000) 0.279 7.808 ( 0.000 0.279 0.000) 0.279 8.176 ( 0.000 -10.203 0.000) 10.203 8.176 ( 0.000 10.203 0.000) 10.203 8.406 ( 0.000 -2.064 0.000) 2.064 8.406 ( 0.000 2.064 0.000) 2.064 8.769 ( 0.000 -5.740 0.000) 5.740 8.769 ( 0.000 5.740 0.000) 5.740 9.279 ( 0.000 -3.067 0.000) 3.067 9.279 ( 0.000 3.067 0.000) 3.067 9.911 ( 0.000 -6.200 0.000) 6.200 9.911 ( 0.000 6.200 0.000) 6.200 9.936 ( 0.000 -11.605 0.000) 11.605 9.936 ( 0.000 11.605 0.000) 11.605 10.184 ( 0.000 -8.385 0.000) 8.385 10.184 ( 0.000 8.385 0.000) 8.385 10.917 ( 0.000 -6.055 0.000) 6.055 10.917 ( 0.000 6.055 0.000) 6.055 11.325 ( 0.000 -1.770 0.000) 1.770 11.325 ( 0.000 1.770 0.000) 1.770 11.516 ( 0.000 -11.344 0.000) 11.344 11.516 ( 0.000 11.344 0.000) 11.344 11.944 ( 0.000 -2.357 0.000) 2.357 11.944 ( 0.000 2.357 0.000) 2.357 14.417 ( 0.000 -4.747 0.000) 4.747 14.417 ( 0.000 4.747 0.000) 4.747 14.750 ( 0.000 -1.100 0.000) 1.100 14.750 ( 0.000 1.100 0.000) 1.100 14.912 ( 0.000 -3.355 0.000) 3.355 14.912 ( 0.000 3.355 0.000) 3.355 15.985 ( 0.000 -1.945 0.000) 1.945 15.985 ( 0.000 1.945 0.000) 1.945 16.723 ( 0.000 -2.071 0.000) 2.071 16.723 ( 0.000 2.071 0.000) 2.071 18.238 ( 0.000 -1.022 0.000) 1.022 18.238 ( 0.000 1.022 0.000) 1.022 18.325 ( 0.000 -0.166 0.000) 0.166 18.325 ( 0.000 0.166 0.000) 0.166 18.812 ( 0.000 -0.908 0.000) 0.908 18.812 ( 0.000 0.908 0.000) 0.908 21.506 ( 0.000 -0.643 0.000) 0.643 21.506 ( 0.000 0.643 0.000) 0.643 21.871 ( 0.000 -0.835 0.000) 0.835 21.871 ( 0.000 0.835 0.000) 0.835 22.797 ( 0.000 -2.475 0.000) 2.475 22.797 ( 0.000 2.475 0.000) 2.475 23.044 ( 0.000 -1.102 0.000) 1.102 23.044 ( 0.000 1.102 0.000) 1.102 ======================= Grid point 20 (12/90) ======================= q-point: ( 0.11 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( 12.276 -13.356 0.000) 18.140 1.059 ( 12.276 13.356 0.000) 18.140 1.153 ( 0.204 -16.661 0.000) 16.662 1.153 ( 0.204 16.661 0.000) 16.662 1.720 ( 10.953 -4.512 0.000) 11.846 1.720 ( 10.953 4.512 0.000) 11.846 2.090 ( 13.567 -30.898 0.000) 33.745 2.090 ( 13.567 30.898 0.000) 33.745 2.870 ( 3.130 -1.677 0.000) 3.551 2.870 ( 3.130 1.677 0.000) 3.551 3.228 ( 1.686 -2.598 0.000) 3.097 3.228 ( 1.686 2.598 0.000) 3.097 4.049 ( -3.675 -2.209 0.000) 4.288 4.049 ( -3.675 2.209 0.000) 4.288 4.458 ( 0.930 -0.573 0.000) 1.093 4.458 ( 0.930 0.573 0.000) 1.093 4.779 ( -5.755 -2.494 0.000) 6.272 4.779 ( -5.755 2.494 0.000) 6.272 5.143 ( 0.591 -10.853 0.000) 10.869 5.143 ( 0.591 10.853 0.000) 10.869 5.404 ( 3.415 -5.786 0.000) 6.718 5.404 ( 3.415 5.786 0.000) 6.718 5.474 ( -1.731 -1.455 0.000) 2.262 5.474 ( -1.731 1.455 0.000) 2.262 5.703 ( -1.925 -3.894 0.000) 4.344 5.703 ( -1.925 3.894 0.000) 4.344 5.927 ( 5.373 -0.828 0.000) 5.436 5.927 ( 5.373 0.828 0.000) 5.436 6.364 ( 1.418 -7.960 0.000) 8.085 6.364 ( 1.418 7.960 0.000) 8.085 6.466 ( 2.946 -2.441 0.000) 3.825 6.466 ( 2.946 2.441 0.000) 3.825 7.209 ( -3.926 -2.232 0.000) 4.516 7.209 ( -3.926 2.232 0.000) 4.516 7.490 ( -4.899 -8.896 0.000) 10.155 7.490 ( -4.899 8.896 0.000) 10.155 7.802 ( -0.608 -0.007 0.000) 0.608 7.802 ( -0.608 0.007 0.000) 0.608 8.012 ( -12.911 -8.275 0.000) 15.335 8.012 ( -12.911 8.275 0.000) 15.335 8.517 ( 7.536 -0.108 0.000) 7.537 8.517 ( 7.536 0.108 0.000) 7.537 8.811 ( 3.604 -3.681 0.000) 5.152 8.811 ( 3.604 3.681 0.000) 5.152 9.268 ( -1.161 -2.980 0.000) 3.198 9.268 ( -1.161 2.980 0.000) 3.198 9.882 ( -1.742 -2.093 0.000) 2.723 9.882 ( -1.742 2.093 0.000) 2.723 9.953 ( 0.541 -9.992 0.000) 10.006 9.953 ( 0.541 9.992 0.000) 10.006 10.183 ( -0.095 -7.657 0.000) 7.657 10.183 ( -0.095 7.657 0.000) 7.657 10.892 ( -2.493 -3.976 0.000) 4.693 10.892 ( -2.493 3.976 0.000) 4.693 11.201 ( -9.881 -5.101 0.000) 11.120 11.201 ( -9.881 5.101 0.000) 11.120 11.505 ( -1.935 -7.051 0.000) 7.312 11.505 ( -1.935 7.051 0.000) 7.312 11.978 ( 3.101 -0.321 0.000) 3.118 11.978 ( 3.101 0.321 0.000) 3.118 14.411 ( -0.609 -4.466 0.000) 4.508 14.411 ( -0.609 4.466 0.000) 4.508 14.715 ( -2.916 -0.135 0.000) 2.919 14.715 ( -2.916 0.135 0.000) 2.919 14.933 ( 2.078 -3.246 0.000) 3.854 14.933 ( 2.078 3.246 0.000) 3.854 15.903 ( -6.905 -0.971 0.000) 6.973 15.903 ( -6.905 0.971 0.000) 6.973 16.860 ( 11.704 -0.004 0.000) 11.704 16.860 ( 11.704 0.004 0.000) 11.704 18.140 ( -15.265 -0.725 0.000) 15.283 18.140 ( -15.265 0.725 0.000) 15.283 18.237 ( -0.176 -0.596 0.000) 0.622 18.237 ( -0.176 0.596 0.000) 0.622 18.843 ( 1.916 -0.047 0.000) 1.917 18.843 ( 1.916 0.047 0.000) 1.917 21.593 ( 7.517 -2.487 0.000) 7.918 21.593 ( 7.517 2.487 0.000) 7.918 21.902 ( 3.108 -1.128 0.000) 3.306 21.902 ( 3.108 1.128 0.000) 3.306 22.787 ( -1.124 -1.874 0.000) 2.185 22.787 ( -1.124 1.874 0.000) 2.185 22.981 ( -5.756 -0.001 0.000) 5.756 22.981 ( -5.756 0.001 0.000) 5.756 ======================= Grid point 22 (13/90) ======================= q-point: ( 0.22 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( 0.135 -0.754 0.000) 0.766 1.123 ( 0.135 0.754 0.000) 0.766 1.379 ( 16.349 -0.014 0.000) 16.349 1.379 ( 16.349 0.014 0.000) 16.349 1.985 ( 15.027 -2.794 0.000) 15.284 1.985 ( 15.027 2.794 0.000) 15.284 2.384 ( 15.354 -16.688 0.000) 22.677 2.384 ( 15.354 16.688 0.000) 22.677 2.940 ( 3.823 -1.832 0.000) 4.240 2.940 ( 3.823 1.832 0.000) 4.240 3.263 ( 1.599 -0.972 0.000) 1.871 3.263 ( 1.599 0.972 0.000) 1.871 3.981 ( -2.860 -2.364 0.000) 3.710 3.981 ( -2.860 2.364 0.000) 3.710 4.440 ( -3.826 -0.088 0.000) 3.827 4.440 ( -3.826 0.088 0.000) 3.827 4.685 ( -2.620 -1.984 0.000) 3.286 4.685 ( -2.620 1.984 0.000) 3.286 5.154 ( 1.225 -4.334 0.000) 4.503 5.154 ( 1.225 4.334 0.000) 4.503 5.364 ( -7.399 -0.335 0.000) 7.406 5.364 ( -7.399 0.335 0.000) 7.406 5.472 ( 3.237 -1.864 0.000) 3.736 5.472 ( 3.237 1.864 0.000) 3.736 5.783 ( 7.395 -0.499 0.000) 7.411 5.783 ( 7.395 0.499 0.000) 7.411 6.025 ( 4.946 -0.428 0.000) 4.964 6.025 ( 4.946 0.428 0.000) 4.964 6.364 ( -1.191 -1.898 0.000) 2.240 6.364 ( -1.191 1.898 0.000) 2.240 6.531 ( 3.055 -1.592 0.000) 3.445 6.531 ( 3.055 1.592 0.000) 3.445 7.143 ( -2.157 -2.717 0.000) 3.469 7.143 ( -2.157 2.717 0.000) 3.469 7.381 ( -5.691 -6.029 0.000) 8.291 7.381 ( -5.691 6.029 0.000) 8.291 7.706 ( -15.697 -7.534 0.000) 17.411 7.706 ( -15.697 7.534 0.000) 17.411 7.807 ( -1.957 -0.017 0.000) 1.957 7.807 ( -1.957 0.017 0.000) 1.957 8.648 ( 5.918 -0.123 0.000) 5.919 8.648 ( 5.918 0.123 0.000) 5.919 8.877 ( 2.858 -2.095 0.000) 3.544 8.877 ( 2.858 2.095 0.000) 3.544 9.238 ( -1.860 -2.674 0.000) 3.258 9.238 ( -1.860 2.674 0.000) 3.258 9.861 ( -0.314 -0.474 0.000) 0.568 9.861 ( -0.314 0.474 0.000) 0.568 9.949 ( -0.737 -10.258 0.000) 10.285 9.949 ( -0.737 10.258 0.000) 10.285 10.182 ( 0.031 -5.692 0.000) 5.692 10.182 ( 0.031 5.692 0.000) 5.692 10.832 ( -3.174 -1.484 0.000) 3.503 10.832 ( -3.174 1.484 0.000) 3.503 11.029 ( -7.330 -4.334 0.000) 8.515 11.029 ( -7.330 4.334 0.000) 8.515 11.449 ( -3.395 -3.292 0.000) 4.729 11.449 ( -3.395 3.292 0.000) 4.729 12.046 ( 3.590 -0.037 0.000) 3.590 12.046 ( 3.590 0.037 0.000) 3.590 14.396 ( -0.908 -3.676 0.000) 3.786 14.396 ( -0.908 3.676 0.000) 3.786 14.661 ( -2.468 -0.011 0.000) 2.468 14.661 ( -2.468 0.011 0.000) 2.468 14.987 ( 3.448 -3.008 0.000) 4.576 14.987 ( 3.448 3.008 0.000) 4.576 15.759 ( -7.705 -4.772 0.000) 9.063 15.759 ( -7.705 4.772 0.000) 9.063 17.083 ( 10.049 -0.018 0.000) 10.049 17.083 ( 10.049 0.018 0.000) 10.049 17.859 ( -12.138 -0.663 0.000) 12.156 17.859 ( -12.138 0.663 0.000) 12.156 18.231 ( -0.457 -0.377 0.000) 0.593 18.231 ( -0.457 0.377 0.000) 0.593 18.866 ( 0.625 -0.039 0.000) 0.626 18.866 ( 0.625 0.039 0.000) 0.626 21.739 ( 6.844 -4.821 0.000) 8.372 21.739 ( 6.844 4.821 0.000) 8.372 21.984 ( 5.218 -1.943 0.000) 5.568 21.984 ( 5.218 1.943 0.000) 5.568 22.753 ( -2.604 -0.356 0.000) 2.628 22.753 ( -2.604 0.356 0.000) 2.628 22.859 ( -6.052 -0.116 0.000) 6.053 22.859 ( -6.052 0.116 0.000) 6.053 ======================= Grid point 24 (14/90) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( 0.779 -1.939 0.000) 2.089 1.134 ( 0.779 1.939 0.000) 2.089 1.667 ( 12.691 -1.065 0.000) 12.736 1.667 ( 12.691 1.065 0.000) 12.736 2.252 ( 12.046 -2.103 0.000) 12.228 2.252 ( 12.046 2.103 0.000) 12.228 2.628 ( 9.109 -6.131 0.000) 10.980 2.628 ( 9.109 6.131 0.000) 10.980 3.006 ( 2.838 -1.726 0.000) 3.322 3.006 ( 2.838 1.726 0.000) 3.322 3.285 ( 0.770 -0.167 0.000) 0.788 3.285 ( 0.770 0.167 0.000) 0.788 3.938 ( -2.128 -4.107 0.000) 4.625 3.938 ( -2.128 4.107 0.000) 4.625 4.343 ( -4.271 -2.427 0.000) 4.912 4.343 ( -4.271 2.427 0.000) 4.912 4.676 ( 0.697 -1.273 0.000) 1.451 4.676 ( 0.697 1.273 0.000) 1.451 5.194 ( -0.270 -0.610 0.000) 0.667 5.194 ( -0.270 0.610 0.000) 0.667 5.251 ( -0.744 -0.306 0.000) 0.804 5.251 ( -0.744 0.306 0.000) 0.804 5.535 ( 3.478 -0.393 0.000) 3.500 5.535 ( 3.478 0.393 0.000) 3.500 5.869 ( -0.679 -5.877 0.000) 5.916 5.869 ( -0.679 5.877 0.000) 5.916 6.142 ( 8.377 -0.775 0.000) 8.413 6.142 ( 8.377 0.775 0.000) 8.413 6.346 ( -0.105 -0.007 0.000) 0.105 6.346 ( -0.105 0.007 0.000) 0.105 6.576 ( 2.090 -1.107 0.000) 2.365 6.576 ( 2.090 1.107 0.000) 2.365 7.129 ( -0.118 -3.823 0.000) 3.825 7.129 ( -0.118 3.823 0.000) 3.825 7.282 ( -5.719 -5.313 0.000) 7.805 7.282 ( -5.719 5.313 0.000) 7.805 7.360 ( -17.268 -0.565 0.000) 17.277 7.360 ( -17.268 0.565 0.000) 17.277 7.792 ( -0.401 -0.068 0.000) 0.406 7.792 ( -0.401 0.068 0.000) 0.406 8.741 ( 3.709 -0.261 0.000) 3.718 8.741 ( 3.709 0.261 0.000) 3.718 8.918 ( 1.436 -0.716 0.000) 1.605 8.918 ( 1.436 0.716 0.000) 1.605 9.203 ( -1.524 -1.588 0.000) 2.201 9.203 ( -1.524 1.588 0.000) 2.201 9.863 ( 0.291 -0.074 0.000) 0.300 9.863 ( 0.291 0.074 0.000) 0.300 9.933 ( -0.775 -7.315 0.000) 7.356 9.933 ( -0.775 7.315 0.000) 7.356 10.187 ( 0.525 -3.397 0.000) 3.437 10.187 ( 0.525 3.397 0.000) 3.437 10.788 ( -1.286 -1.279 0.000) 1.814 10.788 ( -1.286 1.279 0.000) 1.814 10.914 ( -4.855 -2.263 0.000) 5.356 10.914 ( -4.855 2.263 0.000) 5.356 11.389 ( -2.593 -1.431 0.000) 2.961 11.389 ( -2.593 1.431 0.000) 2.961 12.106 ( 2.557 -0.003 0.000) 2.557 12.106 ( 2.557 0.003 0.000) 2.557 14.379 ( -0.798 -2.434 0.000) 2.561 14.379 ( -0.798 2.434 0.000) 2.561 14.624 ( -1.376 -0.007 0.000) 1.376 14.624 ( -1.376 0.007 0.000) 1.376 15.061 ( 3.985 -2.662 0.000) 4.792 15.061 ( 3.985 2.662 0.000) 4.792 15.617 ( -6.807 -5.092 0.000) 8.500 15.617 ( -6.807 5.092 0.000) 8.500 17.213 ( 3.189 -1.992 0.000) 3.760 17.213 ( 3.189 1.992 0.000) 3.760 17.708 ( -3.554 -0.018 0.000) 3.554 17.708 ( -3.554 0.018 0.000) 3.554 18.219 ( -0.720 -0.233 0.000) 0.756 18.219 ( -0.720 0.233 0.000) 0.756 18.872 ( 0.082 -0.097 0.000) 0.127 18.872 ( 0.082 0.097 0.000) 0.127 21.844 ( 4.093 -4.006 0.000) 5.727 21.844 ( 4.093 4.006 0.000) 5.727 22.092 ( 5.696 -2.580 0.000) 6.253 22.092 ( 5.696 2.580 0.000) 6.253 22.676 ( -5.084 -0.560 0.000) 5.115 22.676 ( -5.084 0.560 0.000) 5.115 22.776 ( -2.522 -0.314 0.000) 2.542 22.776 ( -2.522 0.314 0.000) 2.542 ======================= Grid point 26 (15/90) ======================= q-point: ( 0.44 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( 0.391 -0.968 0.000) 1.044 1.146 ( 0.391 0.968 0.000) 1.044 1.838 ( 4.684 -0.598 0.000) 4.722 1.838 ( 4.684 0.598 0.000) 4.722 2.427 ( 5.394 -1.025 0.000) 5.491 2.427 ( 5.394 1.025 0.000) 5.491 2.725 ( 1.665 -1.298 0.000) 2.111 2.725 ( 1.665 1.298 0.000) 2.111 3.042 ( 0.805 -0.976 0.000) 1.265 3.042 ( 0.805 0.976 0.000) 1.265 3.299 ( 0.626 -0.002 0.000) 0.626 3.299 ( 0.626 0.002 0.000) 0.626 3.894 ( -1.826 -2.221 0.000) 2.875 3.894 ( -1.826 2.221 0.000) 2.875 4.306 ( -0.261 -1.617 0.000) 1.638 4.306 ( -0.261 1.617 0.000) 1.638 4.690 ( 0.463 -0.543 0.000) 0.713 4.690 ( 0.463 0.543 0.000) 0.713 5.135 ( -2.265 -0.131 0.000) 2.269 5.135 ( -2.265 0.131 0.000) 2.269 5.320 ( 3.138 -0.271 0.000) 3.150 5.320 ( 3.138 0.271 0.000) 3.150 5.625 ( 6.344 -3.654 0.000) 7.321 5.625 ( 6.344 3.654 0.000) 7.321 5.771 ( -7.763 -10.994 0.000) 13.458 5.771 ( -7.763 10.994 0.000) 13.458 6.303 ( 4.926 -0.004 0.000) 4.926 6.303 ( 4.926 0.004 0.000) 4.926 6.365 ( 2.225 -3.115 0.000) 3.828 6.365 ( 2.225 3.115 0.000) 3.828 6.656 ( 8.180 -3.405 0.000) 8.860 6.656 ( 8.180 3.405 0.000) 8.860 6.934 ( -17.906 -0.042 0.000) 17.906 6.934 ( -17.906 0.042 0.000) 17.906 7.179 ( 0.506 -0.017 0.000) 0.506 7.179 ( 0.506 0.017 0.000) 0.506 7.245 ( -1.721 -0.428 0.000) 1.774 7.245 ( -1.721 0.428 0.000) 1.774 7.787 ( -0.114 -0.013 0.000) 0.114 7.787 ( -0.114 0.013 0.000) 0.114 8.789 ( 1.285 -0.092 0.000) 1.288 8.789 ( 1.285 0.092 0.000) 1.288 8.936 ( 0.450 -0.093 0.000) 0.460 8.936 ( 0.450 0.093 0.000) 0.460 9.183 ( -0.555 -0.463 0.000) 0.723 9.183 ( -0.555 0.463 0.000) 0.723 9.866 ( 0.029 -0.022 0.000) 0.037 9.866 ( 0.029 0.022 0.000) 0.037 9.923 ( -0.243 -2.422 0.000) 2.434 9.923 ( -0.243 2.422 0.000) 2.434 10.198 ( 0.458 -1.057 0.000) 1.152 10.198 ( 0.458 1.057 0.000) 1.152 10.778 ( -0.050 -1.291 0.000) 1.292 10.778 ( -0.050 1.291 0.000) 1.292 10.845 ( -2.060 -1.313 0.000) 2.443 10.845 ( -2.060 1.313 0.000) 2.443 11.354 ( -0.944 -0.392 0.000) 1.022 11.354 ( -0.944 0.392 0.000) 1.022 12.140 ( 0.909 -0.000 0.000) 0.909 12.140 ( 0.909 0.000 0.000) 0.909 14.368 ( -0.319 -0.853 0.000) 0.911 14.368 ( -0.319 0.853 0.000) 0.911 14.607 ( -0.431 -0.011 0.000) 0.431 14.607 ( -0.431 0.011 0.000) 0.431 15.126 ( 2.239 -1.383 0.000) 2.631 15.126 ( 2.239 1.383 0.000) 2.631 15.514 ( -3.236 -2.401 0.000) 4.030 15.514 ( -3.236 2.401 0.000) 4.030 17.231 ( -0.185 -1.690 0.000) 1.700 17.231 ( -0.185 1.690 0.000) 1.700 17.690 ( 0.300 -0.145 0.000) 0.333 17.690 ( 0.300 0.145 0.000) 0.333 18.207 ( -0.402 -0.083 0.000) 0.410 18.207 ( -0.402 0.083 0.000) 0.410 18.872 ( -0.014 -0.045 0.000) 0.047 18.872 ( -0.014 0.045 0.000) 0.047 21.896 ( 1.326 -1.505 0.000) 2.006 21.896 ( 1.326 1.505 0.000) 2.006 22.184 ( 3.137 -1.450 0.000) 3.456 22.184 ( 3.137 1.450 0.000) 3.456 22.589 ( -3.025 -0.504 0.000) 3.067 22.589 ( -3.025 0.504 0.000) 3.067 22.748 ( -0.672 -0.155 0.000) 0.690 22.748 ( -0.672 0.155 0.000) 0.690 ======================= Grid point 45 (16/90) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.431 ( 0.000 0.000 22.160) 22.160 0.594 ( 0.000 0.000 31.918) 31.918 1.209 ( 0.000 0.000 61.247) 61.247 1.309 ( 0.000 0.000 15.966) 15.966 1.875 ( 0.000 0.000 29.476) 29.476 1.926 ( 0.000 0.000 7.476) 7.476 1.960 ( 0.000 0.000 0.898) 0.898 2.717 ( 0.000 0.000 -17.592) 17.592 2.879 ( 0.000 0.000 4.464) 4.464 3.034 ( 0.000 0.000 -0.557) 0.557 3.228 ( 0.000 0.000 -2.957) 2.957 3.323 ( 0.000 0.000 5.350) 5.350 3.999 ( 0.000 0.000 -2.167) 2.167 4.151 ( 0.000 0.000 -2.032) 2.032 4.153 ( 0.000 0.000 -1.509) 1.509 4.459 ( 0.000 0.000 -6.554) 6.554 4.533 ( 0.000 0.000 -3.278) 3.278 4.758 ( 0.000 0.000 -1.274) 1.274 4.855 ( 0.000 0.000 -3.255) 3.255 5.115 ( 0.000 0.000 -0.353) 0.353 5.268 ( 0.000 0.000 -7.803) 7.803 5.470 ( 0.000 0.000 -8.099) 8.099 5.481 ( 0.000 0.000 3.902) 3.902 5.502 ( 0.000 0.000 0.096) 0.096 5.706 ( 0.000 0.000 -9.342) 9.342 5.721 ( 0.000 0.000 6.530) 6.530 5.917 ( 0.000 0.000 6.988) 6.988 5.977 ( 0.000 0.000 2.763) 2.763 6.120 ( 0.000 0.000 3.900) 3.900 6.342 ( 0.000 0.000 3.395) 3.395 6.450 ( 0.000 0.000 -6.741) 6.741 6.691 ( 0.000 0.000 5.885) 5.885 6.806 ( 0.000 0.000 10.675) 10.675 6.909 ( 0.000 0.000 -21.988) 21.988 7.211 ( 0.000 0.000 2.718) 2.718 7.757 ( 0.000 0.000 -2.370) 2.370 7.828 ( 0.000 0.000 -1.718) 1.718 7.909 ( 0.000 0.000 2.967) 2.967 7.977 ( 0.000 0.000 -6.575) 6.575 8.314 ( 0.000 0.000 -12.015) 12.015 8.347 ( 0.000 0.000 0.415) 0.415 8.535 ( 0.000 0.000 7.481) 7.481 8.646 ( 0.000 0.000 -0.928) 0.928 8.680 ( 0.000 0.000 -10.533) 10.533 9.306 ( 0.000 0.000 7.933) 7.933 9.421 ( 0.000 0.000 4.301) 4.301 9.646 ( 0.000 0.000 5.197) 5.197 9.821 ( 0.000 0.000 6.705) 6.705 9.978 ( 0.000 0.000 -8.686) 8.686 10.214 ( 0.000 0.000 -3.931) 3.931 10.417 ( 0.000 0.000 1.594) 1.594 10.552 ( 0.000 0.000 -15.477) 15.477 10.607 ( 0.000 0.000 12.321) 12.321 11.056 ( 0.000 0.000 -1.085) 1.085 11.079 ( 0.000 0.000 -3.702) 3.702 11.391 ( 0.000 0.000 2.693) 2.693 11.499 ( 0.000 0.000 -19.417) 19.417 12.018 ( 0.000 0.000 11.180) 11.180 12.217 ( 0.000 0.000 13.014) 13.014 12.894 ( 0.000 0.000 0.003) 0.003 14.545 ( 0.000 0.000 2.032) 2.032 14.699 ( 0.000 0.000 -1.957) 1.957 14.810 ( 0.000 0.000 -1.272) 1.272 14.940 ( 0.000 0.000 14.933) 14.933 14.984 ( 0.000 0.000 -1.302) 1.302 15.311 ( 0.000 0.000 3.580) 3.580 15.514 ( 0.000 0.000 2.561) 2.561 15.988 ( 0.000 0.000 5.083) 5.083 16.684 ( 0.000 0.000 1.759) 1.759 17.192 ( 0.000 0.000 3.018) 3.018 18.213 ( 0.000 0.000 0.096) 0.096 18.214 ( 0.000 0.000 -9.918) 9.918 18.281 ( 0.000 0.000 1.649) 1.649 18.631 ( 0.000 0.000 -3.259) 3.259 18.777 ( 0.000 0.000 -1.148) 1.148 18.848 ( 0.000 0.000 0.709) 0.709 21.504 ( 0.000 0.000 1.565) 1.565 21.543 ( 0.000 0.000 2.105) 2.105 21.842 ( 0.000 0.000 -0.768) 0.768 21.944 ( 0.000 0.000 1.712) 1.712 22.264 ( 0.000 0.000 -2.087) 2.087 22.718 ( 0.000 0.000 -2.157) 2.157 22.843 ( 0.000 0.000 -3.263) 3.263 22.961 ( 0.000 0.000 -4.104) 4.104 ======================= Grid point 46 (17/90) ======================= q-point: ( 0.11 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( 16.533 0.000 23.626) 28.836 0.910 ( 29.615 0.000 14.552) 32.997 1.317 ( 13.445 0.000 49.725) 51.511 1.420 ( 10.880 0.000 13.966) 17.704 1.761 ( 0.402 0.000 14.137) 14.143 1.996 ( 6.825 0.000 5.873) 9.004 2.075 ( 3.818 0.000 14.872) 15.355 2.712 ( -0.526 0.000 -15.316) 15.325 2.905 ( 2.677 0.000 3.906) 4.735 3.072 ( 2.756 0.000 -0.550) 2.810 3.214 ( -1.052 0.000 -1.013) 1.461 3.304 ( -1.775 0.000 4.876) 5.189 3.969 ( -3.009 0.000 -1.850) 3.532 4.130 ( -1.947 0.000 -1.472) 2.441 4.130 ( -1.944 0.000 -1.472) 2.438 4.459 ( -2.606 0.000 0.882) 2.752 4.539 ( 1.660 0.000 -11.187) 11.309 4.792 ( 3.543 0.000 -2.400) 4.279 4.847 ( -1.054 0.000 -2.890) 3.076 5.204 ( -2.680 0.000 -7.252) 7.731 5.225 ( 10.592 0.000 -0.430) 10.601 5.387 ( -5.314 0.000 -4.603) 7.030 5.449 ( -4.090 0.000 5.793) 7.092 5.543 ( 1.525 0.000 -4.526) 4.776 5.657 ( -5.648 0.000 4.774) 7.396 5.732 ( 1.400 0.000 -11.164) 11.251 5.970 ( 4.952 0.000 7.960) 9.375 5.988 ( 2.443 0.000 -1.029) 2.651 6.274 ( 5.131 0.000 8.320) 9.774 6.418 ( 10.742 0.000 -13.129) 16.964 6.521 ( 6.255 0.000 -4.516) 7.715 6.679 ( -1.163 0.000 4.002) 4.168 6.810 ( -0.096 0.000 -4.620) 4.621 6.942 ( 3.712 0.000 -6.297) 7.309 7.174 ( -3.445 0.000 3.259) 4.742 7.665 ( -16.943 0.000 -4.599) 17.556 7.755 ( -0.245 0.000 -2.059) 2.073 7.822 ( -0.559 0.000 -1.422) 1.528 7.966 ( -6.004 0.000 5.874) 8.400 8.224 ( -10.820 0.000 -6.708) 12.731 8.432 ( 7.631 0.000 -2.274) 7.962 8.566 ( -1.287 0.000 -9.686) 9.771 8.611 ( 6.174 0.000 5.960) 8.581 8.771 ( 4.037 0.000 -6.727) 7.845 9.294 ( -1.155 0.000 7.585) 7.672 9.408 ( -1.307 0.000 4.430) 4.618 9.656 ( 1.061 0.000 4.992) 5.103 9.822 ( 0.134 0.000 4.734) 4.736 9.979 ( 0.389 0.000 -6.212) 6.224 10.224 ( 0.710 0.000 -3.930) 3.993 10.446 ( 2.686 0.000 1.308) 2.988 10.546 ( -0.573 0.000 -15.026) 15.036 10.602 ( -0.460 0.000 14.567) 14.574 11.009 ( -5.581 0.000 0.424) 5.597 11.067 ( -1.092 0.000 -4.030) 4.176 11.324 ( -6.522 0.000 2.315) 6.920 11.469 ( -3.187 0.000 -17.595) 17.881 12.034 ( 1.732 0.000 10.198) 10.344 12.188 ( -54.637 0.000 56.762) 78.786 12.233 ( 1.449 0.000 12.636) 12.719 14.526 ( -2.883 0.000 5.416) 6.135 14.586 ( -11.146 0.000 5.685) 12.512 14.781 ( -5.385 0.000 10.419) 11.728 14.821 ( 1.195 0.000 -1.563) 1.967 14.996 ( 1.181 0.000 -1.463) 1.880 15.099 ( -10.133 0.000 29.368) 31.067 15.504 ( -1.005 0.000 2.844) 3.017 15.962 ( -2.646 0.000 5.101) 5.746 16.719 ( 7.380 0.000 -7.341) 10.410 17.190 ( -0.168 0.000 2.975) 2.980 17.969 ( -20.586 0.000 16.923) 26.648 18.095 ( -11.156 0.000 -8.120) 13.798 18.263 ( -1.853 0.000 6.887) 7.132 18.293 ( -0.405 0.000 3.407) 3.431 18.789 ( 0.897 0.000 -2.288) 2.457 18.867 ( 1.560 0.000 0.949) 1.826 21.578 ( 3.437 0.000 1.915) 3.934 21.820 ( 12.061 0.000 -9.160) 15.145 21.860 ( 1.630 0.000 -0.552) 1.721 21.955 ( 1.310 0.000 1.438) 1.945 22.484 ( 12.586 0.000 -18.649) 22.499 22.715 ( -0.255 0.000 -2.145) 2.160 22.815 ( -2.915 0.000 -3.175) 4.310 22.953 ( -1.045 0.000 -3.625) 3.773 ======================= Grid point 47 (18/90) ======================= q-point: ( 0.22 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( 20.814 0.000 13.462) 24.789 1.255 ( 10.696 0.000 35.032) 36.629 1.684 ( 15.243 0.000 9.750) 18.095 1.724 ( 18.698 0.000 15.116) 24.044 1.917 ( 13.288 0.000 1.547) 13.378 2.156 ( 8.364 0.000 19.624) 21.333 2.159 ( 9.214 0.000 2.423) 9.528 2.693 ( -1.612 0.000 -9.163) 9.304 2.976 ( 4.479 0.000 2.592) 5.175 3.113 ( 1.376 0.000 0.559) 1.485 3.195 ( -0.948 0.000 -0.047) 0.950 3.264 ( -2.107 0.000 3.851) 4.390 3.895 ( -4.305 0.000 -0.980) 4.415 4.071 ( -3.946 0.000 -0.137) 3.948 4.110 ( 0.321 0.000 -1.399) 1.435 4.398 ( -2.515 0.000 0.472) 2.559 4.558 ( 0.214 0.000 -8.986) 8.989 4.807 ( -3.127 0.000 -1.081) 3.309 4.890 ( 6.414 0.000 -4.305) 7.725 5.207 ( 2.389 0.000 -6.721) 7.133 5.290 ( -3.727 0.000 -3.682) 5.239 5.376 ( -2.184 0.000 3.343) 3.994 5.447 ( 3.911 0.000 -0.098) 3.912 5.561 ( 4.532 0.000 -13.122) 13.882 5.574 ( 0.328 0.000 6.125) 6.133 5.720 ( -2.603 0.000 -8.145) 8.550 6.055 ( 3.719 0.000 -5.286) 6.463 6.084 ( 6.476 0.000 9.348) 11.372 6.293 ( -0.981 0.000 4.234) 4.347 6.597 ( 3.209 0.000 -10.864) 11.328 6.603 ( -1.039 0.000 2.717) 2.909 6.691 ( 4.806 0.000 -3.714) 6.074 6.813 ( 1.866 0.000 -15.826) 15.935 7.034 ( 4.822 0.000 4.561) 6.638 7.102 ( -3.505 0.000 4.303) 5.550 7.350 ( -14.123 0.000 -5.816) 15.274 7.746 ( -0.805 0.000 -1.265) 1.499 7.801 ( -9.957 0.000 8.370) 13.008 7.808 ( -0.860 0.000 -0.631) 1.067 7.918 ( -19.155 0.000 -0.268) 19.157 8.583 ( 7.297 0.000 -1.712) 7.495 8.602 ( 3.804 0.000 -13.619) 14.141 8.724 ( 4.990 0.000 3.044) 5.846 8.823 ( 1.548 0.000 -7.635) 7.791 9.269 ( -1.175 0.000 6.372) 6.479 9.374 ( -2.183 0.000 4.542) 5.039 9.686 ( 2.130 0.000 4.219) 4.727 9.832 ( 1.313 0.000 2.548) 2.866 9.993 ( 0.597 0.000 -3.097) 3.154 10.228 ( -0.402 0.000 -0.607) 0.728 10.503 ( 2.786 0.000 0.870) 2.918 10.533 ( -0.606 0.000 -13.625) 13.638 10.592 ( -0.645 0.000 20.991) 21.001 10.808 ( -14.570 0.000 13.237) 19.685 11.045 ( -0.925 0.000 -4.876) 4.963 11.172 ( -8.237 0.000 0.929) 8.289 11.380 ( -5.789 0.000 -14.074) 15.218 11.445 ( -20.649 0.000 46.881) 51.227 12.084 ( 3.428 0.000 8.513) 9.178 12.263 ( 1.471 0.000 11.798) 11.889 14.413 ( -3.967 0.000 9.578) 10.367 14.505 ( -2.239 0.000 0.454) 2.285 14.735 ( -1.301 0.000 6.116) 6.253 14.854 ( 2.158 0.000 -2.288) 3.145 14.941 ( -6.922 0.000 23.103) 24.117 15.023 ( 1.389 0.000 -1.952) 2.396 15.484 ( -0.687 0.000 3.587) 3.652 15.890 ( -4.801 0.000 5.171) 7.056 16.943 ( 13.933 0.000 -13.070) 19.104 17.189 ( 0.172 0.000 2.709) 2.715 17.759 ( -5.247 0.000 8.293) 9.814 17.839 ( -14.264 0.000 -5.212) 15.186 18.253 ( 0.040 0.000 5.024) 5.024 18.298 ( 0.359 0.000 3.191) 3.211 18.807 ( 0.926 0.000 -2.782) 2.932 18.892 ( 0.762 0.000 0.698) 1.033 21.661 ( 4.747 0.000 1.578) 5.002 21.887 ( 0.735 0.000 0.452) 0.863 21.995 ( 8.260 0.000 -4.462) 9.388 22.009 ( 4.607 0.000 0.264) 4.615 22.597 ( 0.851 0.000 -15.034) 15.058 22.710 ( -0.189 0.000 -2.280) 2.288 22.733 ( -5.545 0.000 -2.904) 6.259 22.912 ( -3.248 0.000 -1.724) 3.678 ======================= Grid point 48 (19/90) ======================= q-point: ( 0.33 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( 9.299 0.000 32.854) 34.145 1.540 ( 19.404 0.000 5.823) 20.259 1.845 ( -1.970 0.000 18.151) 18.258 1.951 ( 10.906 0.000 4.185) 11.681 2.179 ( 13.013 0.000 -1.375) 13.085 2.323 ( 7.554 0.000 0.355) 7.563 2.407 ( 11.391 0.000 9.358) 14.742 2.645 ( -3.333 0.000 -1.048) 3.494 3.068 ( 4.813 0.000 1.515) 5.046 3.133 ( 1.049 0.000 0.849) 1.349 3.177 ( -0.855 0.000 0.200) 0.878 3.230 ( -1.417 0.000 3.014) 3.331 3.821 ( -2.851 0.000 0.092) 2.853 3.980 ( -5.407 0.000 1.196) 5.538 4.169 ( 6.090 0.000 -1.548) 6.283 4.378 ( 0.203 0.000 -0.331) 0.388 4.563 ( 0.637 0.000 -5.958) 5.992 4.734 ( -4.224 0.000 -0.823) 4.303 5.026 ( 7.419 0.000 -5.727) 9.372 5.249 ( -0.397 0.000 -2.375) 2.408 5.255 ( 2.116 0.000 -0.734) 2.239 5.376 ( -5.003 0.000 -5.796) 7.657 5.395 ( 3.431 0.000 -3.151) 4.658 5.523 ( -3.818 0.000 -0.763) 3.893 5.658 ( -2.123 0.000 -2.123) 3.002 5.849 ( 16.718 0.000 -8.348) 18.687 6.109 ( 1.526 0.000 -11.778) 11.877 6.209 ( 6.354 0.000 7.335) 9.704 6.256 ( -2.759 0.000 -4.780) 5.519 6.486 ( -12.806 0.000 -2.308) 13.012 6.544 ( -3.569 0.000 4.516) 5.756 6.772 ( 1.481 0.000 -5.659) 5.849 6.900 ( 5.725 0.000 -14.586) 15.669 7.059 ( -0.585 0.000 5.454) 5.485 7.089 ( -0.078 0.000 0.679) 0.683 7.200 ( -0.303 0.000 2.202) 2.222 7.516 ( -19.575 0.000 6.500) 20.626 7.605 ( -10.191 0.000 8.422) 13.221 7.750 ( -0.178 0.000 -0.879) 0.897 7.792 ( -0.963 0.000 0.408) 1.046 8.684 ( 4.332 0.000 -14.061) 14.713 8.700 ( 4.867 0.000 -1.026) 4.974 8.791 ( 1.936 0.000 0.371) 1.971 8.834 ( -0.306 0.000 -9.159) 9.164 9.254 ( -0.323 0.000 4.624) 4.635 9.329 ( -2.392 0.000 4.225) 4.855 9.739 ( 3.360 0.000 3.106) 4.575 9.885 ( 4.177 0.000 3.244) 5.289 9.978 ( -2.468 0.000 -1.035) 2.676 10.208 ( -2.065 0.000 7.292) 7.578 10.525 ( 0.049 0.000 -8.756) 8.757 10.533 ( -6.904 0.000 28.209) 29.042 10.543 ( 1.115 0.000 -1.778) 2.099 10.597 ( -4.036 0.000 10.439) 11.192 11.040 ( 0.529 0.000 -6.233) 6.255 11.047 ( -3.878 0.000 -0.179) 3.882 11.217 ( -7.159 0.000 19.449) 20.725 11.259 ( -6.460 0.000 -11.445) 13.142 12.157 ( 3.906 0.000 7.922) 8.833 12.282 ( 0.278 0.000 10.766) 10.769 14.375 ( -0.457 0.000 5.359) 5.378 14.460 ( -2.394 0.000 1.029) 2.606 14.718 ( -0.436 0.000 7.393) 7.406 14.829 ( -4.762 0.000 17.203) 17.850 14.902 ( 2.820 0.000 -3.024) 4.135 15.038 ( -0.189 0.000 -2.628) 2.635 15.491 ( 1.741 0.000 4.405) 4.737 15.783 ( -6.095 0.000 5.239) 8.037 17.204 ( 1.608 0.000 2.055) 2.609 17.207 ( 12.946 0.000 -12.619) 18.079 17.579 ( -12.229 0.000 -2.559) 12.494 17.680 ( -4.008 0.000 0.610) 4.054 18.259 ( 0.599 0.000 5.193) 5.228 18.301 ( -0.150 0.000 4.178) 4.181 18.827 ( 1.175 0.000 -2.406) 2.677 18.894 ( -0.487 0.000 0.172) 0.517 21.749 ( 4.237 0.000 1.368) 4.452 21.887 ( -0.593 0.000 1.086) 1.238 22.127 ( 7.330 0.000 -0.674) 7.361 22.160 ( 8.909 0.000 -3.889) 9.721 22.567 ( -3.418 0.000 -10.461) 11.005 22.606 ( -7.547 0.000 -2.457) 7.937 22.710 ( 0.270 0.000 -2.180) 2.197 22.838 ( -4.104 0.000 -0.341) 4.118 ======================= Grid point 49 (20/90) ======================= q-point: ( 0.44 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( 8.355 0.000 28.039) 29.257 1.756 ( -6.408 0.000 23.239) 24.106 1.868 ( 13.923 0.000 -0.250) 13.925 2.038 ( -2.701 0.000 -2.013) 3.369 2.390 ( 8.532 0.000 -0.068) 8.532 2.456 ( 6.519 0.000 3.430) 7.366 2.494 ( -1.553 0.000 3.040) 3.414 2.567 ( -4.851 0.000 4.557) 6.655 3.151 ( 3.661 0.000 1.415) 3.925 3.153 ( 0.812 0.000 0.529) 0.969 3.164 ( -0.505 0.000 0.262) 0.569 3.203 ( -1.769 0.000 2.241) 2.855 3.805 ( 1.468 0.000 1.205) 1.899 3.873 ( -5.178 0.000 1.799) 5.482 4.309 ( 6.679 0.000 -1.451) 6.834 4.381 ( -0.912 0.000 -0.603) 1.093 4.589 ( 2.251 0.000 -3.560) 4.212 4.652 ( -4.084 0.000 -2.036) 4.564 5.158 ( 5.874 0.000 -6.248) 8.575 5.245 ( -2.527 0.000 -2.414) 3.495 5.309 ( 3.912 0.000 0.696) 3.974 5.327 ( 2.271 0.000 -6.408) 6.799 5.396 ( -4.022 0.000 -1.514) 4.297 5.425 ( -5.989 0.000 -2.267) 6.404 5.754 ( 12.617 0.000 -2.213) 12.810 6.039 ( -12.699 0.000 -8.567) 15.318 6.139 ( 12.295 0.000 -8.709) 15.067 6.208 ( -0.191 0.000 -10.560) 10.561 6.260 ( -6.210 0.000 -8.349) 10.405 6.282 ( -1.442 0.000 -3.579) 3.858 6.531 ( 5.067 0.000 7.486) 9.039 6.703 ( -8.685 0.000 -5.277) 10.162 7.000 ( 4.383 0.000 -7.841) 8.983 7.063 ( -2.148 0.000 -2.471) 3.275 7.087 ( 3.484 0.000 8.752) 9.420 7.212 ( -10.784 0.000 11.832) 16.009 7.271 ( 6.194 0.000 7.726) 9.903 7.419 ( -8.929 0.000 8.036) 12.013 7.756 ( 0.664 0.000 0.140) 0.679 7.773 ( -0.985 0.000 0.694) 1.205 8.760 ( 3.448 0.000 -13.031) 13.480 8.771 ( 2.605 0.000 -0.946) 2.772 8.802 ( -0.624 0.000 -0.844) 1.049 8.812 ( -1.953 0.000 -11.149) 11.319 9.259 ( 0.854 0.000 3.496) 3.599 9.286 ( -1.910 0.000 3.584) 4.061 9.814 ( 4.412 0.000 2.231) 4.944 9.903 ( -4.462 0.000 0.145) 4.464 9.993 ( 6.436 0.000 7.677) 10.018 10.124 ( -6.435 0.000 10.339) 12.178 10.475 ( 1.078 0.000 15.230) 15.268 10.530 ( -3.661 0.000 15.003) 15.443 10.534 ( 0.781 0.000 -5.562) 5.617 10.548 ( -0.465 0.000 -2.678) 2.718 11.034 ( 2.076 0.000 2.842) 3.520 11.070 ( 2.718 0.000 -8.038) 8.485 11.105 ( -4.898 0.000 9.073) 10.311 11.145 ( -5.066 0.000 -9.760) 10.996 12.226 ( 3.078 0.000 8.500) 9.041 12.270 ( -1.467 0.000 9.606) 9.717 14.384 ( 1.173 0.000 3.172) 3.382 14.416 ( -2.089 0.000 1.855) 2.793 14.722 ( 0.952 0.000 9.766) 9.812 14.757 ( -2.739 0.000 12.894) 13.182 14.960 ( 3.040 0.000 -3.329) 4.508 15.013 ( -2.255 0.000 -3.136) 3.863 15.555 ( 4.736 0.000 4.888) 6.806 15.663 ( -6.213 0.000 5.150) 8.070 17.260 ( 4.436 0.000 1.032) 4.554 17.381 ( -8.299 0.000 -0.445) 8.311 17.427 ( 9.806 0.000 -9.803) 13.866 17.583 ( -6.431 0.000 -5.347) 8.364 18.275 ( 0.945 0.000 5.407) 5.489 18.292 ( -0.757 0.000 5.032) 5.088 18.851 ( 1.357 0.000 -1.581) 2.083 18.877 ( -1.197 0.000 -0.623) 1.350 21.819 ( 3.021 0.000 1.298) 3.288 21.865 ( -1.745 0.000 1.256) 2.150 22.282 ( 8.578 0.000 -1.300) 8.676 22.329 ( 8.426 0.000 -4.990) 9.793 22.449 ( -8.618 0.000 -1.896) 8.824 22.473 ( -6.289 0.000 -7.315) 9.646 22.725 ( 1.360 0.000 -1.468) 2.002 22.767 ( -3.042 0.000 -0.493) 3.082 ======================= Grid point 54 (21/90) ======================= q-point: ( 0.00 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.658 ( 0.000 17.446 12.101) 21.231 0.842 ( 0.000 21.719 17.452) 27.862 1.238 ( 0.000 -4.258 15.722) 16.288 1.556 ( 0.000 22.454 39.651) 45.568 1.746 ( 0.000 -13.156 24.816) 28.087 1.790 ( 0.000 -5.440 16.280) 17.164 1.871 ( 0.000 -4.994 9.102) 10.382 2.498 ( 0.000 -15.702 -8.646) 17.925 2.895 ( 0.000 1.131 6.496) 6.593 3.078 ( 0.000 -2.714 8.446) 8.871 3.162 ( 0.000 -0.533 1.219) 1.330 3.257 ( 0.000 -3.463 1.167) 3.655 4.016 ( 0.000 1.585 -2.320) 2.810 4.098 ( 0.000 -1.658 -4.097) 4.419 4.322 ( 0.000 4.391 -7.733) 8.893 4.434 ( 0.000 -2.247 -6.201) 6.595 4.649 ( 0.000 8.158 -7.908) 11.362 4.797 ( 0.000 4.683 -5.815) 7.466 4.840 ( 0.000 -1.449 -4.158) 4.404 5.188 ( 0.000 -7.593 -11.702) 13.950 5.194 ( 0.000 6.184 -1.966) 6.489 5.377 ( 0.000 -3.155 -6.612) 7.326 5.418 ( 0.000 -2.079 -4.591) 5.040 5.620 ( 0.000 -8.178 4.286) 9.233 5.685 ( 0.000 8.950 6.136) 10.851 5.764 ( 0.000 3.698 -6.397) 7.389 5.910 ( 0.000 -0.497 7.019) 7.036 5.957 ( 0.000 -1.739 5.260) 5.540 6.232 ( 0.000 8.946 6.189) 10.879 6.379 ( 0.000 3.507 3.528) 4.975 6.469 ( 0.000 -1.056 -7.883) 7.954 6.658 ( 0.000 -6.330 6.793) 9.285 6.816 ( 0.000 3.679 -3.853) 5.327 6.899 ( 0.000 -0.865 -21.684) 21.701 7.420 ( 0.000 14.829 -0.981) 14.862 7.760 ( 0.000 0.250 -1.461) 1.483 7.809 ( 0.000 -1.428 -1.593) 2.140 7.855 ( 0.000 -5.153 1.981) 5.520 8.019 ( 0.000 3.819 -4.162) 5.649 8.248 ( 0.000 -5.153 -8.075) 9.579 8.381 ( 0.000 2.227 -2.234) 3.154 8.496 ( 0.000 -2.902 3.553) 4.588 8.643 ( 0.000 0.108 -1.200) 1.204 8.681 ( 0.000 -0.511 -8.455) 8.470 9.331 ( 0.000 2.262 7.840) 8.160 9.425 ( 0.000 -0.481 3.990) 4.019 9.722 ( 0.000 7.224 4.493) 8.507 9.866 ( 0.000 3.755 4.191) 5.627 9.971 ( 0.000 -0.460 -8.618) 8.631 10.121 ( 0.000 -8.046 -3.237) 8.673 10.348 ( 0.000 -5.083 7.008) 8.657 10.386 ( 0.000 -7.782 -1.288) 7.888 10.799 ( 0.000 10.753 3.384) 11.273 11.066 ( 0.000 0.073 -0.853) 0.856 11.170 ( 0.000 7.516 -6.808) 10.141 11.401 ( 0.000 1.635 5.520) 5.757 11.449 ( 0.000 -4.805 -17.727) 18.367 12.047 ( 0.000 2.781 11.663) 11.990 12.079 ( 0.000 -31.176 30.384) 43.533 12.250 ( 0.000 -17.604 24.974) 30.555 14.481 ( 0.000 -8.493 6.882) 10.931 14.515 ( 0.000 -2.766 2.200) 3.535 14.843 ( 0.000 2.505 -0.513) 2.557 14.930 ( 0.000 -0.833 14.577) 14.600 14.931 ( 0.000 -4.064 19.243) 19.667 14.961 ( 0.000 -2.139 -0.817) 2.290 15.919 ( 0.000 9.697 -6.859) 11.878 15.997 ( 0.000 0.715 4.410) 4.467 16.710 ( 0.000 2.523 2.888) 3.835 16.961 ( 0.000 -12.187 13.890) 18.479 18.214 ( 0.000 0.056 -9.980) 9.980 18.221 ( 0.000 0.622 -1.421) 1.551 18.273 ( 0.000 -0.670 1.720) 1.845 18.324 ( 0.000 -9.052 0.926) 9.099 18.812 ( 0.000 0.865 0.534) 1.016 18.843 ( 0.000 -0.546 0.767) 0.942 21.510 ( 0.000 0.534 1.640) 1.724 21.538 ( 0.000 -0.517 2.034) 2.099 21.848 ( 0.000 0.590 -0.748) 0.952 21.887 ( 0.000 -1.448 0.237) 1.468 22.702 ( 0.000 8.677 -11.066) 14.062 22.770 ( 0.000 10.756 -10.730) 15.193 22.817 ( 0.000 -2.170 -3.138) 3.815 22.963 ( 0.000 -0.096 -5.289) 5.290 ======================= Grid point 55 (22/90) ======================= q-point: ( 0.11 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( 13.335 7.802 14.872) 21.445 1.103 ( 18.383 14.713 19.039) 30.280 1.346 ( 10.336 -6.405 9.919) 15.693 1.638 ( 9.956 19.631 27.739) 35.412 1.735 ( 3.794 -1.927 21.323) 21.744 1.840 ( 4.569 -10.426 14.223) 18.218 1.998 ( 9.885 -2.817 10.796) 14.907 2.567 ( 5.273 -13.992 -6.120) 16.157 2.917 ( 2.233 0.559 6.074) 6.496 3.073 ( -0.159 -2.852 6.814) 7.389 3.165 ( 0.271 0.452 -0.568) 0.774 3.274 ( 1.167 -2.067 1.756) 2.952 3.987 ( -2.824 1.547 -1.863) 3.720 4.058 ( -2.923 -1.520 -2.330) 4.035 4.300 ( -2.272 5.067 -7.585) 9.400 4.474 ( 2.840 -1.476 -4.553) 5.565 4.581 ( -5.394 6.177 -6.499) 10.463 4.814 ( -2.193 -1.695 -3.722) 4.641 4.839 ( 3.269 3.676 -6.377) 8.054 5.137 ( -3.038 -5.417 -10.855) 12.506 5.268 ( 6.755 3.592 -0.729) 7.686 5.364 ( -1.446 0.537 -3.765) 4.068 5.445 ( 3.309 -3.239 -9.752) 10.796 5.565 ( -5.840 -2.027 1.654) 6.399 5.681 ( -2.164 5.668 10.747) 12.341 5.787 ( 0.524 3.428 -8.203) 8.906 5.933 ( 3.926 -4.138 5.685) 8.053 5.976 ( 3.264 -0.519 2.287) 4.019 6.323 ( 5.951 4.795 8.607) 11.510 6.369 ( 1.055 0.531 -1.947) 2.277 6.523 ( 4.477 -2.374 -4.298) 6.645 6.662 ( -0.179 -3.593 5.326) 6.427 6.814 ( 0.282 1.220 -15.004) 15.057 6.943 ( 4.180 0.481 -8.482) 9.468 7.363 ( -5.454 13.010 -0.445) 14.114 7.650 ( -14.484 -1.572 -2.263) 14.744 7.771 ( -0.635 1.159 -2.304) 2.656 7.817 ( -0.643 -0.676 -1.197) 1.517 7.946 ( -6.386 -1.169 3.215) 7.245 8.165 ( -11.550 -5.043 -3.140) 12.988 8.441 ( 7.786 0.773 -3.161) 8.439 8.559 ( 2.474 0.182 -10.473) 10.763 8.639 ( 3.945 1.543 5.305) 6.789 8.752 ( 3.874 -1.585 -7.384) 8.487 9.319 ( -1.141 2.274 7.407) 7.832 9.411 ( -1.407 -0.446 4.287) 4.534 9.730 ( 0.775 6.968 4.346) 8.249 9.846 ( -1.466 1.893 1.579) 2.868 9.983 ( 1.107 0.661 -5.237) 5.394 10.130 ( 0.538 -8.195 -3.525) 8.937 10.367 ( 1.779 -5.623 8.153) 10.062 10.397 ( 1.063 -7.116 -0.305) 7.202 10.780 ( -1.871 10.085 4.145) 11.063 11.038 ( -3.423 1.703 -0.749) 3.896 11.138 ( -3.221 5.620 -4.687) 7.996 11.317 ( -7.766 -0.371 4.140) 8.808 11.434 ( -2.025 -3.084 -15.602) 16.032 11.768 ( -27.097 -25.295 47.652) 60.372 12.058 ( 1.080 1.698 11.059) 11.240 12.230 ( 1.125 -1.964 14.670) 14.844 14.449 ( -2.734 -4.456 7.570) 9.200 14.504 ( -1.076 -2.668 2.039) 3.526 14.784 ( -5.878 0.243 10.673) 12.187 14.853 ( 1.067 2.419 -1.132) 2.876 14.964 ( 0.161 -1.878 7.260) 7.501 15.009 ( 0.514 -3.005 13.318) 13.663 15.793 ( -9.637 12.364 1.208) 15.723 15.972 ( -3.543 0.915 5.415) 6.536 16.719 ( 6.233 0.075 -6.032) 8.674 17.086 ( 7.607 -6.129 8.244) 12.782 17.937 ( -17.596 -1.115 -4.847) 18.285 18.165 ( -8.336 3.010 -2.354) 9.170 18.274 ( -0.635 0.431 4.003) 4.076 18.291 ( -1.735 0.133 4.775) 5.082 18.792 ( 0.406 0.139 -2.050) 2.094 18.876 ( 1.512 0.534 0.877) 1.828 21.582 ( 4.284 0.411 1.724) 4.636 21.685 ( 11.972 -6.815 -1.618) 13.870 21.873 ( 2.458 0.822 -0.829) 2.721 21.917 ( 3.132 -1.310 -0.208) 3.401 22.685 ( -1.859 7.416 -13.100) 15.168 22.744 ( -1.881 3.817 -5.809) 7.201 22.798 ( -1.947 -1.284 -3.020) 3.816 22.960 ( -1.179 0.549 -4.360) 4.550 ======================= Grid point 56 (23/90) ======================= q-point: ( 0.22 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( 17.370 -0.926 13.482) 22.007 1.358 ( 8.675 9.056 30.518) 32.994 1.573 ( 11.931 -10.440 4.154) 16.389 1.852 ( 5.923 -0.912 22.295) 23.086 1.928 ( 15.623 4.049 2.355) 16.310 2.030 ( 16.411 1.580 10.239) 19.408 2.219 ( 13.094 2.261 8.642) 15.851 2.648 ( 2.746 -7.154 -2.890) 8.190 2.974 ( 3.459 -0.744 4.666) 5.856 3.081 ( 0.950 -2.950 3.686) 4.816 3.174 ( 0.741 2.125 -1.955) 2.981 3.286 ( -0.045 0.577 1.828) 1.918 3.920 ( -3.668 2.056 -0.816) 4.283 4.017 ( -1.215 -1.874 -0.841) 2.387 4.239 ( -3.627 5.852 -5.754) 8.973 4.450 ( -4.648 4.703 0.536) 6.634 4.546 ( 1.606 -0.849 -8.539) 8.730 4.761 ( -3.061 -3.281 -1.668) 4.787 4.914 ( 4.259 1.513 -8.052) 9.233 5.127 ( 2.418 -4.546 -7.216) 8.865 5.333 ( -1.495 1.619 -2.713) 3.496 5.378 ( 2.267 1.155 -0.720) 2.645 5.460 ( -4.093 -2.039 -3.040) 5.490 5.551 ( 6.152 0.682 -8.426) 10.456 5.609 ( -2.151 3.332 9.230) 10.046 5.772 ( -0.517 4.601 -7.792) 9.064 6.032 ( 4.404 -4.180 4.244) 7.408 6.058 ( 4.943 -0.827 -4.362) 6.645 6.320 ( -1.846 1.902 4.817) 5.498 6.507 ( 7.056 -3.530 -0.485) 7.904 6.581 ( -0.068 -2.545 -0.489) 2.592 6.642 ( -0.922 -3.507 2.282) 4.285 6.848 ( 3.643 2.185 -16.234) 16.781 7.036 ( 4.843 0.302 0.421) 4.871 7.241 ( -6.580 9.137 -0.076) 11.260 7.360 ( -13.476 0.816 -4.967) 14.386 7.760 ( -1.122 1.045 -1.202) 1.948 7.786 ( -9.560 -1.016 7.681) 12.305 7.807 ( -0.490 -0.216 -0.465) 0.709 7.872 ( -17.611 -3.955 0.740) 18.065 8.584 ( 6.345 0.143 -3.443) 7.220 8.613 ( 3.613 0.738 -14.205) 14.676 8.735 ( 4.431 1.008 3.164) 5.537 8.810 ( 2.251 -1.152 -6.855) 7.306 9.292 ( -1.530 1.996 6.308) 6.791 9.374 ( -2.291 -0.404 4.760) 5.298 9.751 ( 1.442 6.228 3.345) 7.215 9.834 ( 0.654 0.089 0.779) 1.021 10.004 ( 0.553 0.994 -3.410) 3.594 10.133 ( -0.064 -7.835 -0.928) 7.891 10.386 ( -0.364 -7.993 6.676) 10.420 10.440 ( 3.363 -4.427 7.565) 9.389 10.728 ( -3.667 8.348 7.833) 12.020 10.894 ( -11.012 5.966 4.589) 13.339 11.068 ( -3.402 0.630 2.711) 4.396 11.147 ( -8.621 -2.314 1.864) 9.119 11.357 ( -11.094 -4.671 16.098) 20.101 11.373 ( -5.724 -1.987 -3.076) 6.795 12.099 ( 3.067 1.077 9.280) 9.833 12.264 ( 1.791 -0.129 12.537) 12.665 14.402 ( -1.838 -0.199 6.140) 6.412 14.476 ( -1.754 -2.284 1.857) 3.426 14.715 ( -1.906 -0.988 7.498) 7.800 14.884 ( 1.994 2.158 -1.454) 3.279 14.913 ( -4.602 -0.792 18.754) 19.327 15.033 ( 2.195 -0.983 -0.529) 2.463 15.632 ( -6.559 10.493 3.842) 12.957 15.879 ( -5.741 -1.205 5.384) 7.963 16.926 ( 12.981 -1.136 -11.357) 17.286 17.190 ( 3.418 -0.074 3.367) 4.798 17.677 ( -9.994 -3.479 -4.583) 11.532 17.949 ( -11.535 5.493 1.899) 12.916 18.257 ( -0.398 0.351 5.382) 5.408 18.293 ( 0.386 -0.426 3.381) 3.430 18.808 ( 0.975 0.106 -2.985) 3.142 18.896 ( 0.441 0.303 0.714) 0.892 21.680 ( 5.444 1.954 1.353) 5.941 21.852 ( 4.871 -4.814 -0.034) 6.848 21.946 ( 5.580 -0.430 -1.525) 5.800 22.006 ( 6.085 -1.104 -1.398) 6.341 22.633 ( -3.372 2.203 -12.554) 13.184 22.704 ( -2.886 -0.303 -3.497) 4.544 22.752 ( -2.222 1.247 -2.330) 3.453 22.909 ( -3.802 -0.165 -1.527) 4.101 ======================= Grid point 57 (24/90) ======================= q-point: ( 0.33 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( 12.815 -7.705 16.621) 22.357 1.490 ( 5.632 3.361 27.891) 28.652 1.769 ( 8.252 -8.077 3.977) 12.213 1.951 ( 4.426 -0.660 18.763) 19.289 2.211 ( 13.591 2.350 1.940) 13.929 2.308 ( 10.858 -0.349 1.771) 11.007 2.461 ( 9.381 4.797 3.266) 11.031 2.675 ( 0.319 1.082 -1.726) 2.062 3.041 ( 3.221 -2.013 2.910) 4.785 3.102 ( 0.984 -3.204 1.933) 3.870 3.195 ( 1.501 3.466 -1.517) 4.070 3.275 ( -0.788 2.363 1.412) 2.864 3.858 ( -2.548 3.092 0.429) 4.029 3.987 ( -3.173 -0.408 -0.572) 3.250 4.207 ( 1.882 3.248 -2.104) 4.303 4.387 ( -1.775 0.747 -0.063) 1.927 4.574 ( 1.415 1.075 -6.185) 6.435 4.702 ( -2.973 -2.455 -1.840) 4.272 5.001 ( 4.893 -2.014 -8.240) 9.793 5.218 ( 5.476 -1.384 -2.946) 6.370 5.301 ( -1.204 0.532 0.643) 1.465 5.367 ( -1.885 2.709 1.327) 3.557 5.414 ( -2.108 -0.193 -4.503) 4.975 5.542 ( 0.534 0.677 -1.945) 2.128 5.646 ( -1.100 0.603 -5.970) 6.101 5.879 ( 11.096 2.043 -6.504) 13.023 6.088 ( 1.288 -3.418 -7.971) 8.768 6.140 ( 3.206 -2.542 -5.930) 7.205 6.305 ( 1.167 2.600 4.869) 5.642 6.457 ( -9.987 -1.408 0.638) 10.105 6.530 ( -3.685 -1.691 -0.587) 4.097 6.724 ( 6.099 -3.631 -1.090) 7.181 6.940 ( 4.997 3.030 -9.606) 11.244 7.078 ( -10.018 1.934 -2.898) 10.606 7.109 ( 2.386 0.877 1.400) 2.902 7.223 ( -0.645 1.550 1.899) 2.534 7.511 ( -17.345 0.050 7.770) 19.006 7.588 ( -10.566 -1.675 8.978) 13.966 7.760 ( -0.016 0.765 -1.102) 1.341 7.796 ( -0.649 0.343 0.273) 0.784 8.678 ( 3.588 -0.537 -10.034) 10.670 8.686 ( 3.506 -1.196 -7.909) 8.734 8.794 ( 1.959 0.989 -1.275) 2.538 8.842 ( 0.962 0.021 -5.551) 5.634 9.267 ( -0.890 1.186 4.999) 5.214 9.327 ( -2.450 -0.377 4.804) 5.406 9.787 ( 2.354 4.671 1.440) 5.425 9.880 ( 4.132 -0.309 2.902) 5.059 9.984 ( -2.629 0.258 -2.116) 3.385 10.135 ( -0.129 -5.470 2.920) 6.202 10.363 ( -1.485 -8.261 7.964) 11.570 10.485 ( -0.496 -3.469 23.234) 23.497 10.635 ( -3.877 6.517 1.301) 7.694 10.739 ( -4.138 7.503 2.302) 8.872 10.993 ( -3.999 -3.201 3.083) 5.979 11.035 ( -3.083 -2.744 1.637) 4.440 11.219 ( -4.130 0.867 2.536) 4.923 11.279 ( -4.716 1.137 -9.817) 10.950 12.167 ( 3.781 0.762 8.588) 9.415 12.287 ( 0.451 0.400 11.352) 11.368 14.380 ( -0.430 0.592 4.217) 4.280 14.440 ( -1.915 -1.652 1.872) 3.146 14.697 ( -0.119 -1.314 7.919) 8.028 14.819 ( -4.415 -0.607 16.493) 17.085 14.937 ( 3.123 2.870 -3.487) 5.491 15.070 ( 1.059 1.234 -2.535) 3.012 15.546 ( -2.224 5.078 4.722) 7.283 15.760 ( -6.475 -2.358 5.348) 8.723 17.146 ( 7.854 -2.142 -6.092) 10.168 17.250 ( 4.295 0.662 -2.062) 4.810 17.519 ( -6.416 -2.531 -6.120) 9.221 17.766 ( -7.571 4.742 0.695) 8.960 18.257 ( 0.370 -0.137 5.451) 5.465 18.296 ( -0.169 -0.419 4.399) 4.423 18.828 ( 1.103 0.081 -2.520) 2.752 18.893 ( -0.619 -0.024 0.227) 0.659 21.778 ( 4.504 2.730 1.172) 5.396 21.897 ( 0.652 0.132 0.960) 1.168 22.075 ( 7.242 -2.977 -1.659) 8.004 22.140 ( 7.343 -2.318 -2.165) 7.999 22.557 ( -4.472 -0.362 -9.337) 10.359 22.622 ( -5.238 0.878 -4.077) 6.696 22.728 ( -0.479 1.335 -1.700) 2.214 22.830 ( -4.038 -0.631 -0.061) 4.088 ======================= Grid point 58 (25/90) ======================= q-point: ( 0.44 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( 3.861 -6.710 26.855) 27.949 1.572 ( 2.166 -6.526 21.460) 22.534 1.910 ( 6.540 -2.555 5.431) 8.876 1.991 ( -1.090 -2.799 9.808) 10.258 2.415 ( 6.687 1.214 0.334) 6.804 2.456 ( 3.539 0.173 1.754) 3.953 2.558 ( 3.810 6.624 -1.310) 7.753 2.650 ( -3.576 5.730 0.515) 6.774 3.090 ( 1.837 -3.030 1.519) 3.855 3.111 ( -0.247 -3.184 1.069) 3.368 3.230 ( 1.954 3.662 -0.381) 4.169 3.260 ( -1.010 3.274 0.687) 3.494 3.839 ( 1.078 3.003 1.367) 3.472 3.900 ( -4.731 1.877 1.040) 5.195 4.293 ( 5.192 -1.143 -0.856) 5.385 4.361 ( -1.783 -1.724 -0.086) 2.482 4.605 ( 1.898 1.281 -4.715) 5.241 4.648 ( -2.574 -0.301 -3.394) 4.271 5.106 ( 6.079 -3.044 -4.742) 8.289 5.222 ( -4.844 -0.479 1.270) 5.031 5.303 ( 0.436 -1.587 -6.208) 6.423 5.322 ( -2.108 -2.618 0.537) 3.404 5.438 ( 5.133 6.691 -3.404) 9.094 5.538 ( -4.223 8.058 -2.390) 9.407 5.707 ( 10.535 -4.120 -3.109) 11.732 5.932 ( -8.918 -8.541 -5.908) 13.688 6.166 ( 5.123 0.489 -12.624) 13.633 6.221 ( 7.555 2.590 -7.930) 11.255 6.259 ( -5.689 0.966 -7.848) 9.741 6.355 ( -1.782 4.220 -5.879) 7.453 6.494 ( 3.896 -3.438 6.358) 8.211 6.689 ( -11.358 -0.986 -7.225) 13.498 6.980 ( 3.305 -4.201 6.081) 8.096 7.026 ( 1.191 1.756 -6.366) 6.711 7.137 ( 1.414 2.064 3.777) 4.531 7.219 ( -6.325 0.209 11.229) 12.889 7.292 ( 1.343 2.082 7.936) 8.314 7.404 ( -8.210 -1.495 7.976) 11.544 7.767 ( 0.639 0.805 -0.161) 1.040 7.782 ( -0.816 0.699 0.432) 1.158 8.728 ( 1.462 -1.639 -9.743) 9.987 8.732 ( 1.098 -2.570 -7.909) 8.388 8.823 ( 1.319 1.639 -3.809) 4.351 8.844 ( -0.657 1.077 -5.165) 5.317 9.262 ( 0.476 0.311 4.227) 4.265 9.285 ( -1.805 -0.205 4.373) 4.735 9.843 ( 3.453 2.848 0.557) 4.510 9.915 ( -3.775 1.198 -0.603) 4.006 9.986 ( 6.012 -0.751 5.418) 8.128 10.095 ( -4.457 -2.451 4.887) 7.054 10.357 ( 1.409 -6.873 11.317) 13.316 10.415 ( -4.356 -5.165 19.445) 20.585 10.640 ( 2.305 6.435 -1.834) 7.077 10.685 ( -2.283 7.424 2.985) 8.321 10.956 ( 0.183 -5.209 1.875) 5.539 10.986 ( -2.337 -5.305 3.805) 6.934 11.176 ( -0.341 3.485 -6.177) 7.101 11.203 ( -2.937 3.040 -8.528) 9.518 12.235 ( 3.030 0.658 9.091) 9.605 12.278 ( -1.401 0.586 10.171) 10.283 14.383 ( 0.708 0.057 2.954) 3.038 14.406 ( -1.544 -0.822 2.214) 2.822 14.708 ( 1.338 -0.936 9.817) 9.952 14.749 ( -2.887 -0.596 12.694) 13.032 15.002 ( 3.491 3.396 -3.939) 6.264 15.060 ( -2.086 3.258 -3.656) 5.323 15.552 ( 2.819 0.102 5.429) 6.119 15.639 ( -5.779 -2.148 5.475) 8.245 17.229 ( 3.183 -1.875 -0.181) 3.699 17.294 ( -2.470 -4.574 -1.229) 5.342 17.502 ( 5.618 3.642 -8.878) 11.120 17.634 ( -6.835 3.444 -4.786) 9.027 18.270 ( 0.858 -0.369 5.663) 5.739 18.286 ( -0.752 -0.434 5.273) 5.344 18.851 ( 1.282 -0.038 -1.605) 2.054 18.875 ( -1.191 -0.107 -0.590) 1.333 21.850 ( 2.939 2.735 1.138) 4.173 21.890 ( -1.267 2.015 1.117) 2.630 22.210 ( 6.199 -4.808 -2.098) 8.121 22.256 ( 3.009 -5.430 -2.412) 6.660 22.478 ( -2.255 2.033 -6.075) 6.792 22.519 ( -5.032 2.344 -4.931) 7.425 22.731 ( 0.897 0.542 -1.137) 1.546 22.765 ( -2.620 -0.182 -0.303) 2.644 ======================= Grid point 63 (26/90) ======================= q-point: ( 0.00 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( 0.000 -15.703 6.477) 16.987 1.017 ( 0.000 15.703 6.477) 16.987 1.344 ( 0.000 -24.308 13.843) 27.974 1.344 ( 0.000 24.308 13.843) 27.974 1.759 ( 0.000 -4.718 15.194) 15.910 1.759 ( 0.000 4.718 15.194) 15.910 2.108 ( 0.000 -23.114 17.954) 29.267 2.108 ( 0.000 23.114 17.954) 29.267 2.952 ( 0.000 -5.274 11.197) 12.377 2.952 ( 0.000 5.274 11.197) 12.377 3.203 ( 0.000 -2.851 -0.794) 2.960 3.203 ( 0.000 2.851 -0.794) 2.960 4.058 ( 0.000 -2.237 -3.205) 3.909 4.058 ( 0.000 2.237 -3.205) 3.909 4.381 ( 0.000 -2.388 -6.051) 6.506 4.381 ( 0.000 2.388 -6.051) 6.506 4.776 ( 0.000 -4.156 -5.962) 7.267 4.776 ( 0.000 4.156 -5.962) 7.267 4.974 ( 0.000 -10.916 -13.116) 17.064 4.974 ( 0.000 10.916 -13.116) 17.064 5.323 ( 0.000 -3.572 -5.274) 6.369 5.323 ( 0.000 3.572 -5.274) 6.369 5.451 ( 0.000 -5.940 -0.069) 5.940 5.451 ( 0.000 5.940 -0.069) 5.940 5.801 ( 0.000 -1.123 -1.814) 2.134 5.801 ( 0.000 1.123 -1.814) 2.134 5.914 ( 0.000 -1.081 9.139) 9.203 5.914 ( 0.000 1.081 9.139) 9.203 6.400 ( 0.000 -5.698 0.089) 5.698 6.400 ( 0.000 5.698 0.089) 5.698 6.496 ( 0.000 -7.654 8.560) 11.483 6.496 ( 0.000 7.654 8.560) 11.483 6.875 ( 0.000 -1.231 -18.089) 18.130 6.875 ( 0.000 1.231 -18.089) 18.130 7.684 ( 0.000 -10.057 1.262) 10.136 7.684 ( 0.000 10.057 1.262) 10.136 7.784 ( 0.000 -0.690 -2.350) 2.450 7.784 ( 0.000 0.690 -2.350) 2.450 8.125 ( 0.000 -4.990 -4.598) 6.786 8.125 ( 0.000 4.990 -4.598) 6.786 8.435 ( 0.000 -1.797 -1.060) 2.086 8.435 ( 0.000 1.797 -1.060) 2.086 8.659 ( 0.000 -0.812 -3.792) 3.878 8.659 ( 0.000 0.812 -3.792) 3.878 9.387 ( 0.000 -2.806 6.473) 7.055 9.387 ( 0.000 2.806 6.473) 7.055 9.900 ( 0.000 -6.620 3.054) 7.291 9.900 ( 0.000 6.620 3.054) 7.291 9.962 ( 0.000 -1.157 -7.032) 7.126 9.962 ( 0.000 1.157 -7.032) 7.126 10.289 ( 0.000 -0.802 6.849) 6.895 10.289 ( 0.000 0.802 6.849) 6.895 11.001 ( 0.000 -7.347 3.371) 8.084 11.001 ( 0.000 7.347 3.371) 8.084 11.322 ( 0.000 -6.475 -12.433) 14.018 11.322 ( 0.000 6.475 -12.433) 14.018 11.533 ( 0.000 -14.103 20.948) 25.253 11.533 ( 0.000 14.103 20.948) 25.253 12.123 ( 0.000 -4.051 13.083) 13.696 12.123 ( 0.000 4.051 13.083) 13.696 14.451 ( 0.000 -2.524 3.368) 4.209 14.451 ( 0.000 2.524 3.368) 4.209 14.902 ( 0.000 -2.831 0.266) 2.843 14.902 ( 0.000 2.831 0.266) 2.843 14.915 ( 0.000 -0.248 14.351) 14.354 14.915 ( 0.000 0.248 14.351) 14.354 16.003 ( 0.000 -0.302 1.244) 1.281 16.003 ( 0.000 0.302 1.244) 1.281 16.790 ( 0.000 -3.968 7.062) 8.100 16.790 ( 0.000 3.968 7.062) 8.100 18.221 ( 0.000 -0.095 -8.953) 8.953 18.221 ( 0.000 0.095 -8.953) 8.953 18.259 ( 0.000 -0.169 1.794) 1.802 18.259 ( 0.000 0.169 1.794) 1.802 18.828 ( 0.000 -0.336 0.850) 0.914 18.828 ( 0.000 0.336 0.850) 0.914 21.524 ( 0.000 -0.700 1.832) 1.961 21.524 ( 0.000 0.700 1.832) 1.961 21.864 ( 0.000 -0.930 -0.611) 1.113 21.864 ( 0.000 0.930 -0.611) 1.113 22.767 ( 0.000 -2.520 -3.218) 4.087 22.767 ( 0.000 2.520 -3.218) 4.087 22.934 ( 0.000 -2.929 -9.466) 9.909 22.934 ( 0.000 2.929 -9.466) 9.909 ======================= Grid point 65 (27/90) ======================= q-point: ( 0.11 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( 3.056 -0.000 1.413) 3.366 1.148 ( 10.662 0.000 8.213) 13.459 1.439 ( 5.759 -0.000 17.200) 18.138 1.457 ( 12.183 0.000 22.185) 25.310 1.795 ( 7.325 0.000 9.165) 11.732 1.889 ( 8.932 0.000 14.516) 17.044 2.165 ( 7.978 -0.000 15.812) 17.710 2.225 ( 9.595 0.000 11.002) 14.598 2.936 ( 0.509 -0.000 8.206) 8.222 2.997 ( 2.381 0.000 10.371) 10.641 3.192 ( 0.582 0.000 -1.946) 2.031 3.249 ( 2.630 -0.000 0.447) 2.668 4.018 ( -3.295 0.000 -2.743) 4.287 4.032 ( -2.359 -0.000 -1.836) 2.989 4.346 ( -2.080 0.000 -7.274) 7.566 4.444 ( 4.346 0.000 -5.591) 7.082 4.679 ( -7.017 0.000 -5.444) 8.881 4.768 ( -2.442 0.000 -3.935) 4.631 4.949 ( -0.877 0.000 -14.463) 14.490 5.016 ( 1.905 0.000 -10.673) 10.841 5.322 ( 2.241 0.000 -7.397) 7.729 5.391 ( -1.200 0.000 -5.151) 5.289 5.422 ( 6.933 0.000 -3.633) 7.827 5.478 ( -2.705 0.000 3.226) 4.210 5.812 ( -6.295 -0.000 10.889) 12.577 5.821 ( 5.110 0.000 2.737) 5.797 5.835 ( 0.669 0.000 -3.892) 3.949 5.971 ( 2.908 0.000 3.412) 4.484 6.400 ( -2.829 0.000 1.275) 3.103 6.436 ( 1.976 -0.000 1.647) 2.573 6.446 ( 4.040 0.000 2.594) 4.801 6.598 ( 4.041 0.000 11.390) 12.086 6.828 ( -0.676 0.000 -22.202) 22.212 6.950 ( 4.360 0.000 -10.215) 11.106 7.570 ( -8.609 -0.000 -3.151) 9.168 7.581 ( -11.271 0.000 2.506) 11.547 7.791 ( -0.266 -0.000 -1.920) 1.939 7.795 ( 0.584 0.000 -0.724) 0.931 7.942 ( -8.007 0.000 -4.546) 9.207 8.088 ( -12.087 -0.000 3.636) 12.622 8.452 ( 7.716 0.000 -3.895) 8.643 8.566 ( 3.797 0.000 -13.302) 13.833 8.656 ( 3.988 0.000 6.113) 7.299 8.729 ( 3.699 0.000 -6.202) 7.221 9.367 ( -1.568 0.000 5.489) 5.709 9.383 ( -0.913 0.000 7.056) 7.115 9.854 ( -2.272 0.000 1.212) 2.575 9.913 ( -0.083 0.000 0.489) 0.496 9.950 ( -0.210 -0.000 -5.106) 5.110 9.999 ( 2.161 0.000 -3.491) 4.105 10.296 ( 0.234 0.000 8.377) 8.380 10.313 ( 2.799 0.000 7.423) 7.933 10.936 ( -3.994 0.000 2.416) 4.668 11.034 ( 0.723 -0.000 5.635) 5.681 11.205 ( -8.715 0.000 -4.508) 9.811 11.339 ( -6.209 0.000 -1.466) 6.380 11.404 ( -6.207 0.000 8.531) 10.550 11.440 ( -8.598 0.000 13.509) 16.013 12.087 ( -0.179 0.000 11.412) 11.413 12.198 ( 3.838 0.000 13.572) 14.104 14.438 ( -0.940 0.000 2.759) 2.915 14.450 ( -0.521 -0.000 3.982) 4.016 14.788 ( -6.004 0.000 10.651) 12.226 14.895 ( 0.347 0.000 -0.540) 0.642 14.940 ( 2.691 0.000 -0.186) 2.697 14.971 ( -0.532 0.000 18.504) 18.512 15.905 ( -6.036 0.000 1.617) 6.249 15.989 ( -5.618 0.000 5.968) 8.196 16.722 ( 4.954 0.000 -4.897) 6.966 17.019 ( 11.271 0.000 8.150) 13.909 17.927 ( -17.046 0.000 -11.218) 20.406 18.194 ( -5.873 0.000 -2.298) 6.307 18.274 ( 0.874 0.000 2.625) 2.766 18.297 ( -2.375 0.000 4.536) 5.120 18.793 ( 0.140 0.000 -1.960) 1.965 18.882 ( 1.824 0.000 0.882) 2.027 21.599 ( 7.325 0.000 0.789) 7.367 21.607 ( 6.761 0.000 1.349) 6.895 21.892 ( 2.783 -0.000 -0.809) 2.898 21.894 ( 3.096 0.000 -0.762) 3.189 22.745 ( -1.732 0.000 -3.575) 3.972 22.759 ( -2.188 -0.000 -5.175) 5.619 22.817 ( -5.783 0.000 -8.730) 10.472 22.968 ( -1.180 0.000 -5.280) 5.410 ======================= Grid point 67 (28/90) ======================= q-point: ( 0.22 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( 8.732 -0.000 7.532) 11.532 1.399 ( 14.276 0.000 4.748) 15.045 1.526 ( 3.222 -0.000 25.716) 25.917 1.719 ( 12.804 0.000 26.917) 29.807 2.001 ( 13.092 0.000 5.691) 14.275 2.082 ( 11.020 -0.000 6.940) 13.023 2.372 ( 11.672 -0.000 5.959) 13.105 2.446 ( 12.353 0.000 3.032) 12.719 2.969 ( 2.674 0.000 4.393) 5.143 3.035 ( 1.515 0.000 7.188) 7.346 3.217 ( 1.652 0.000 -2.224) 2.771 3.289 ( 1.293 0.000 0.618) 1.434 3.956 ( -2.753 0.000 -1.610) 3.189 3.990 ( -1.788 0.000 -0.096) 1.790 4.293 ( -3.125 0.000 -7.792) 8.396 4.519 ( -2.738 0.000 0.840) 2.864 4.541 ( -1.064 0.000 -9.033) 9.095 4.713 ( -2.858 0.000 -1.837) 3.397 4.938 ( 0.213 0.000 -13.386) 13.388 5.070 ( 4.774 0.000 -7.094) 8.551 5.351 ( -2.238 0.000 -1.057) 2.475 5.386 ( 0.097 0.000 -6.510) 6.511 5.432 ( 1.992 -0.000 -3.322) 3.873 5.560 ( 5.641 0.000 -2.915) 6.349 5.653 ( -8.320 0.000 9.361) 12.524 5.889 ( 5.197 -0.000 -7.829) 9.397 5.915 ( 2.337 0.000 3.599) 4.291 6.045 ( 4.536 0.000 -4.887) 6.668 6.347 ( -2.011 0.000 5.944) 6.275 6.508 ( 1.245 -0.000 1.577) 2.009 6.516 ( 6.323 0.000 -0.808) 6.374 6.602 ( -4.010 0.000 6.676) 7.788 6.875 ( 5.123 0.000 -14.919) 15.774 7.038 ( 4.569 0.000 -3.158) 5.554 7.348 ( -10.248 -0.000 -0.878) 10.286 7.377 ( -11.598 0.000 -5.287) 12.746 7.777 ( -4.129 0.000 -1.274) 4.321 7.780 ( -6.689 0.000 3.540) 7.568 7.794 ( -6.924 -0.000 4.089) 8.041 7.813 ( -8.795 0.000 1.518) 8.925 8.586 ( 5.433 0.000 -4.431) 7.011 8.621 ( 3.066 0.000 -15.717) 16.013 8.753 ( 4.549 0.000 4.053) 6.093 8.790 ( 2.659 0.000 -6.227) 6.771 9.330 ( -2.194 0.000 4.781) 5.260 9.355 ( -1.916 0.000 6.936) 7.196 9.833 ( 0.389 0.000 0.608) 0.722 9.905 ( -0.577 0.000 -1.088) 1.232 9.948 ( -0.140 -0.000 -2.218) 2.223 10.041 ( 2.151 0.000 -2.231) 3.099 10.287 ( -1.177 0.000 10.402) 10.468 10.388 ( 4.416 0.000 12.973) 13.704 10.851 ( -5.126 0.000 5.915) 7.827 10.986 ( -12.193 -0.000 2.569) 12.461 11.025 ( -1.845 0.000 9.794) 9.966 11.116 ( -11.236 -0.000 10.984) 15.712 11.301 ( -5.095 0.000 -1.963) 5.460 11.354 ( -2.750 0.000 -10.511) 10.865 12.113 ( 2.675 0.000 9.800) 10.158 12.260 ( 2.545 0.000 12.896) 13.144 14.418 ( -1.092 0.000 2.369) 2.609 14.433 ( -1.196 0.000 4.072) 4.244 14.706 ( -2.553 0.000 8.326) 8.709 14.892 ( -2.799 0.000 14.648) 14.913 14.938 ( 0.273 0.000 1.535) 1.559 15.002 ( 3.615 0.000 -0.305) 3.628 15.777 ( -7.203 0.000 2.846) 7.745 15.843 ( -8.040 0.000 6.601) 10.403 16.913 ( 12.336 0.000 -10.199) 16.006 17.187 ( 5.922 0.000 4.270) 7.301 17.642 ( -11.739 0.000 -9.796) 15.290 18.009 ( -11.125 0.000 1.960) 11.297 18.262 ( -0.888 0.000 5.719) 5.787 18.287 ( 0.461 -0.000 3.641) 3.670 18.809 ( 1.026 0.000 -3.163) 3.326 18.900 ( 0.177 0.000 0.711) 0.733 21.741 ( 6.572 -0.000 0.631) 6.603 21.749 ( 7.174 0.000 0.648) 7.203 21.965 ( 4.614 -0.000 -1.386) 4.817 21.979 ( 5.518 0.000 -0.935) 5.597 22.657 ( -6.157 0.000 -10.724) 12.365 22.701 ( -2.916 0.000 -4.094) 5.027 22.767 ( -1.277 0.000 -2.168) 2.516 22.907 ( -4.441 0.000 -1.300) 4.627 ======================= Grid point 69 (29/90) ======================= q-point: ( 0.33 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( 8.778 0.000 16.603) 18.780 1.550 ( 0.453 0.000 27.938) 27.942 1.673 ( 12.285 0.000 5.612) 13.506 1.900 ( 5.828 0.000 22.971) 23.698 2.261 ( 12.922 0.000 3.717) 13.446 2.293 ( 10.008 -0.000 1.464) 10.115 2.557 ( 6.956 -0.000 -1.887) 7.207 2.654 ( 8.037 0.000 -0.640) 8.062 3.026 ( 2.775 0.000 2.612) 3.811 3.055 ( 0.597 0.000 3.680) 3.728 3.245 ( 1.262 0.000 -2.081) 2.434 3.299 ( 0.017 0.000 0.070) 0.072 3.914 ( -1.787 0.000 -0.910) 2.006 3.959 ( -1.768 0.000 0.786) 1.935 4.251 ( -0.456 0.000 -4.699) 4.721 4.399 ( -4.955 0.000 1.353) 5.137 4.592 ( 2.154 0.000 -6.758) 7.093 4.668 ( -1.698 0.000 -2.488) 3.012 4.973 ( 3.583 0.000 -10.402) 11.002 5.201 ( 7.295 0.000 -2.325) 7.656 5.295 ( -1.971 0.000 1.846) 2.700 5.397 ( 0.761 0.000 -8.355) 8.389 5.441 ( -8.723 0.000 12.142) 14.950 5.516 ( 5.361 0.000 -5.889) 7.963 5.692 ( 4.532 0.000 -10.923) 11.825 5.886 ( -5.245 0.000 -1.847) 5.560 6.040 ( 10.370 0.000 -7.105) 12.571 6.118 ( 3.020 0.000 -10.046) 10.490 6.338 ( 1.087 0.000 6.663) 6.752 6.444 ( -9.698 0.000 1.234) 9.776 6.503 ( -2.745 0.000 -3.119) 4.155 6.676 ( 9.526 0.000 3.486) 10.144 6.983 ( 5.225 -0.000 -9.257) 10.630 7.100 ( -13.436 0.000 -2.935) 13.753 7.119 ( -0.342 0.000 -2.185) 2.212 7.238 ( -1.700 0.000 1.888) 2.540 7.530 ( -11.493 -0.000 7.499) 13.723 7.550 ( -13.173 0.000 11.014) 17.171 7.771 ( -0.008 0.000 -1.170) 1.170 7.801 ( -0.314 0.000 0.156) 0.351 8.662 ( 2.712 0.000 -6.392) 6.943 8.679 ( 2.629 0.000 -14.081) 14.325 8.817 ( 2.189 0.000 0.002) 2.189 8.832 ( 1.660 0.000 -5.154) 5.414 9.290 ( -1.807 0.000 4.631) 4.971 9.314 ( -2.112 0.000 6.227) 6.576 9.875 ( 3.859 0.000 0.683) 3.919 9.898 ( -0.053 0.000 -1.362) 1.363 9.942 ( -0.474 -0.000 0.436) 0.643 10.073 ( 0.743 0.000 -3.218) 3.302 10.263 ( -0.826 0.000 12.039) 12.068 10.441 ( -0.751 0.000 28.135) 28.145 10.729 ( -4.827 0.000 0.634) 4.868 10.845 ( -2.460 0.000 -2.429) 3.457 10.930 ( -6.637 -0.000 11.694) 13.446 10.985 ( -3.938 0.000 3.770) 5.451 11.234 ( -2.162 0.000 -7.217) 7.534 11.291 ( -3.372 0.000 -10.588) 11.112 12.177 ( 3.669 0.000 9.145) 9.853 12.292 ( 0.692 0.000 11.869) 11.889 14.399 ( -0.834 0.000 2.248) 2.398 14.409 ( -1.163 0.000 3.520) 3.707 14.682 ( -0.081 0.000 8.345) 8.346 14.812 ( -4.274 0.000 16.272) 16.824 14.982 ( 3.298 0.000 -4.897) 5.904 15.069 ( 2.951 0.000 -1.436) 3.282 15.642 ( -6.190 0.000 3.858) 7.294 15.702 ( -6.487 0.000 6.272) 9.024 17.125 ( 8.339 0.000 -6.959) 10.861 17.248 ( 0.743 -0.000 1.359) 1.549 17.498 ( -2.675 0.000 -9.636) 10.001 17.820 ( -8.370 0.000 0.549) 8.388 18.255 ( 0.133 0.000 5.705) 5.706 18.290 ( -0.183 0.000 4.667) 4.671 18.829 ( 1.036 0.000 -2.639) 2.835 18.893 ( -0.755 0.000 0.285) 0.807 21.847 ( 4.292 -0.000 0.654) 4.342 21.858 ( 4.105 0.000 0.960) 4.215 22.062 ( 5.301 -0.000 -2.090) 5.698 22.093 ( 5.793 0.000 -0.836) 5.853 22.555 ( -4.388 0.000 -9.362) 10.339 22.631 ( -4.310 0.000 -4.442) 6.189 22.746 ( -0.836 0.000 -1.438) 1.663 22.821 ( -4.067 0.000 0.331) 4.080 ======================= Grid point 71 (30/90) ======================= q-point: ( 0.44 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( 5.803 0.000 24.565) 25.241 1.529 ( -2.538 0.000 29.120) 29.231 1.865 ( 7.325 0.000 6.237) 9.620 1.946 ( -0.986 0.000 13.149) 13.186 2.441 ( 4.930 0.000 0.291) 4.939 2.450 ( 5.127 0.000 2.354) 5.642 2.653 ( 4.281 -0.000 -4.032) 5.881 2.722 ( -1.080 0.000 -1.615) 1.943 3.059 ( 0.607 0.000 1.684) 1.790 3.061 ( 0.123 -0.000 1.628) 1.633 3.274 ( 1.655 0.000 -1.536) 2.258 3.296 ( -0.503 0.000 -0.681) 0.847 3.890 ( -0.197 0.000 0.517) 0.554 3.915 ( -2.416 0.000 1.323) 2.755 4.281 ( 2.842 0.000 -1.026) 3.021 4.333 ( -2.537 0.000 1.395) 2.895 4.623 ( 1.249 0.000 -6.212) 6.336 4.644 ( -1.024 0.000 -4.670) 4.781 5.072 ( 6.641 0.000 -4.094) 7.801 5.227 ( -8.839 0.000 5.176) 10.243 5.282 ( 0.167 0.000 -1.388) 1.399 5.283 ( 0.183 0.000 -5.491) 5.494 5.541 ( 10.092 -0.000 -1.873) 10.264 5.629 ( 6.078 0.000 -4.301) 7.446 5.725 ( -1.835 -0.000 -6.135) 6.403 5.739 ( -9.164 0.000 -1.719) 9.324 6.169 ( 2.636 0.000 -13.267) 13.526 6.238 ( -1.401 0.000 -9.048) 9.156 6.319 ( 9.811 -0.000 -12.477) 15.872 6.378 ( 2.699 0.000 1.109) 2.918 6.452 ( -2.130 0.000 2.218) 3.075 6.673 ( -17.673 0.000 -8.710) 19.702 6.934 ( 7.944 0.000 9.626) 12.480 7.047 ( 0.031 0.000 -5.695) 5.695 7.160 ( 1.558 0.000 3.596) 3.919 7.219 ( -3.353 0.000 11.147) 11.640 7.335 ( -5.032 0.000 9.556) 10.800 7.370 ( -5.562 0.000 6.828) 8.807 7.777 ( 0.641 0.000 -0.384) 0.747 7.791 ( -0.673 0.000 0.197) 0.701 8.700 ( 1.388 0.000 -8.553) 8.665 8.711 ( 0.494 0.000 -11.200) 11.211 8.845 ( 0.854 0.000 -3.081) 3.197 8.851 ( 0.257 -0.000 -4.524) 4.531 9.269 ( -0.269 0.000 4.788) 4.796 9.280 ( -1.334 -0.000 5.349) 5.512 9.905 ( 0.809 0.000 -0.889) 1.203 9.924 ( -0.889 -0.000 -1.100) 1.415 9.972 ( 5.194 -0.000 1.709) 5.468 10.055 ( -2.781 0.000 -2.729) 3.896 10.273 ( 2.191 0.000 16.531) 16.676 10.353 ( -5.904 0.000 27.177) 27.811 10.735 ( 3.692 0.000 -2.837) 4.656 10.821 ( -4.964 0.000 3.688) 6.185 10.845 ( 1.953 -0.000 2.453) 3.136 10.906 ( -4.023 0.000 4.942) 6.373 11.214 ( 0.082 0.000 -9.027) 9.027 11.236 ( -2.153 0.000 -10.045) 10.273 12.243 ( 2.990 0.000 9.634) 10.087 12.286 ( -1.329 0.000 10.706) 10.788 14.388 ( -0.218 -0.000 2.409) 2.419 14.392 ( -0.566 0.000 2.856) 2.912 14.697 ( 1.573 0.000 9.924) 10.048 14.741 ( -3.009 0.000 12.655) 13.008 15.051 ( 3.511 0.000 -5.233) 6.301 15.096 ( -0.580 -0.000 -3.794) 3.838 15.566 ( -1.147 0.000 5.512) 5.630 15.599 ( -4.027 -0.000 6.385) 7.549 17.212 ( 1.779 -0.000 -1.614) 2.402 17.238 ( -1.216 0.000 0.183) 1.229 17.543 ( 6.043 0.000 -9.423) 11.194 17.675 ( -7.119 0.000 -4.779) 8.574 18.265 ( 0.762 0.000 5.938) 5.987 18.280 ( -0.741 0.000 5.546) 5.596 18.850 ( 1.205 0.000 -1.633) 2.030 18.874 ( -1.182 0.000 -0.552) 1.305 21.903 ( 1.579 -0.000 0.897) 1.817 21.908 ( 1.159 0.000 1.033) 1.552 22.155 ( 3.777 0.000 -2.342) 4.444 22.177 ( 2.070 0.000 -1.354) 2.474 22.501 ( -0.537 0.000 -6.982) 7.003 22.543 ( -4.253 0.000 -4.825) 6.431 22.739 ( 0.316 0.000 -0.858) 0.914 22.761 ( -2.072 0.000 -0.068) 2.073 ======================= Grid point 90 (31/90) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( 0.000 0.000 21.520) 21.520 1.219 ( 0.000 0.000 33.355) 33.355 1.666 ( 0.000 0.000 19.883) 19.883 1.941 ( 0.000 0.000 5.939) 5.939 2.101 ( 0.000 0.000 9.151) 9.151 2.371 ( 0.000 0.000 50.505) 50.505 2.414 ( 0.000 0.000 -11.578) 11.578 2.491 ( 0.000 0.000 31.027) 31.027 2.992 ( 0.000 0.000 6.923) 6.923 3.025 ( 0.000 0.000 -0.257) 0.257 3.162 ( 0.000 0.000 -3.053) 3.053 3.356 ( 0.000 0.000 -2.102) 2.102 3.947 ( 0.000 0.000 -2.983) 2.983 4.094 ( 0.000 0.000 -3.889) 3.889 4.108 ( 0.000 0.000 -3.210) 3.210 4.295 ( 0.000 0.000 -9.612) 9.612 4.451 ( 0.000 0.000 -4.932) 4.932 4.664 ( 0.000 0.000 -7.044) 7.044 4.801 ( 0.000 0.000 -1.907) 1.907 5.056 ( 0.000 0.000 -8.433) 8.433 5.116 ( 0.000 0.000 -7.639) 7.639 5.281 ( 0.000 0.000 -8.850) 8.850 5.432 ( 0.000 0.000 -15.499) 15.499 5.578 ( 0.000 0.000 4.961) 4.961 5.607 ( 0.000 0.000 7.829) 7.829 5.893 ( 0.000 0.000 12.455) 12.455 6.043 ( 0.000 0.000 5.794) 5.794 6.111 ( 0.000 0.000 8.555) 8.555 6.183 ( 0.000 0.000 2.726) 2.726 6.319 ( 0.000 0.000 -10.981) 10.981 6.338 ( 0.000 0.000 -4.859) 4.859 6.653 ( 0.000 0.000 2.268) 2.268 6.819 ( 0.000 0.000 7.670) 7.670 7.011 ( 0.000 0.000 9.887) 9.887 7.260 ( 0.000 0.000 1.984) 1.984 7.692 ( 0.000 0.000 -4.422) 4.422 7.779 ( 0.000 0.000 -3.589) 3.589 7.841 ( 0.000 0.000 -7.124) 7.124 7.874 ( 0.000 0.000 -6.026) 6.026 8.066 ( 0.000 0.000 -13.003) 13.003 8.359 ( 0.000 0.000 0.929) 0.929 8.447 ( 0.000 0.000 -12.686) 12.686 8.616 ( 0.000 0.000 -1.910) 1.910 8.687 ( 0.000 0.000 7.699) 7.699 9.398 ( 0.000 0.000 -1.495) 1.495 9.480 ( 0.000 0.000 1.000) 1.000 9.751 ( 0.000 0.000 -14.145) 14.145 9.784 ( 0.000 0.000 8.624) 8.624 9.802 ( 0.000 0.000 -9.387) 9.387 10.202 ( 0.000 0.000 3.307) 3.307 10.245 ( 0.000 0.000 -12.437) 12.437 10.447 ( 0.000 0.000 1.133) 1.133 10.852 ( 0.000 0.000 9.426) 9.426 11.018 ( 0.000 0.000 -2.905) 2.905 11.028 ( 0.000 0.000 -2.088) 2.088 11.145 ( 0.000 0.000 -16.375) 16.375 11.512 ( 0.000 0.000 11.126) 11.126 12.213 ( 0.000 0.000 8.222) 8.222 12.428 ( 0.000 0.000 9.034) 9.034 12.890 ( 0.000 0.000 -0.496) 0.496 14.624 ( 0.000 0.000 5.878) 5.878 14.664 ( 0.000 0.000 -1.389) 1.389 14.784 ( 0.000 0.000 -1.197) 1.197 14.961 ( 0.000 0.000 -0.906) 0.906 15.281 ( 0.000 0.000 19.124) 19.124 15.391 ( 0.000 0.000 4.410) 4.410 15.565 ( 0.000 0.000 2.270) 2.270 16.093 ( 0.000 0.000 4.929) 4.929 16.749 ( 0.000 0.000 5.543) 5.543 17.281 ( 0.000 0.000 6.328) 6.328 17.990 ( 0.000 0.000 -12.442) 12.442 18.210 ( 0.000 0.000 -0.621) 0.621 18.328 ( 0.000 0.000 3.245) 3.245 18.548 ( 0.000 0.000 -4.922) 4.922 18.744 ( 0.000 0.000 -2.362) 2.362 18.843 ( 0.000 0.000 -1.531) 1.531 21.547 ( 0.000 0.000 2.791) 2.791 21.601 ( 0.000 0.000 3.885) 3.885 21.822 ( 0.000 0.000 -1.253) 1.253 21.993 ( 0.000 0.000 3.425) 3.425 22.207 ( 0.000 0.000 -3.812) 3.812 22.657 ( 0.000 0.000 -4.162) 4.162 22.762 ( 0.000 0.000 -4.842) 4.842 22.856 ( 0.000 0.000 -6.489) 6.489 ======================= Grid point 91 (32/90) ======================= q-point: ( 0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( 26.473 0.000 14.389) 30.130 1.300 ( 7.866 0.000 29.825) 30.845 1.735 ( 6.804 0.000 17.388) 18.672 1.871 ( -4.435 0.000 6.578) 7.934 2.137 ( 3.642 0.000 7.791) 8.600 2.371 ( 1.285 0.000 46.916) 46.933 2.453 ( 3.846 0.000 -9.328) 10.090 2.554 ( 4.352 0.000 30.381) 30.691 3.011 ( 1.947 0.000 6.584) 6.866 3.070 ( 3.922 0.000 -0.139) 3.924 3.165 ( 0.158 0.000 -2.305) 2.310 3.335 ( -1.944 0.000 -1.811) 2.657 3.925 ( -2.147 0.000 -2.496) 3.293 4.085 ( -0.991 0.000 -3.282) 3.428 4.090 ( -1.455 0.000 -2.716) 3.081 4.323 ( 2.136 0.000 -10.450) 10.666 4.434 ( -1.405 0.000 -3.297) 3.584 4.682 ( 2.048 0.000 -7.756) 8.022 4.788 ( -0.957 0.000 -2.370) 2.556 5.089 ( -1.635 0.000 -5.091) 5.347 5.120 ( 4.783 0.000 -13.838) 14.641 5.266 ( 0.118 0.000 -3.679) 3.681 5.433 ( 0.290 0.000 -14.350) 14.353 5.570 ( -4.373 0.000 4.283) 6.121 5.606 ( 0.318 0.000 6.215) 6.223 5.824 ( -4.911 0.000 12.720) 13.635 5.938 ( -6.742 0.000 -3.891) 7.784 6.087 ( 4.451 0.000 4.197) 6.117 6.292 ( 3.271 0.000 -4.132) 5.270 6.447 ( 8.907 0.000 -2.855) 9.353 6.464 ( 12.115 0.000 0.546) 12.127 6.566 ( -7.164 0.000 1.986) 7.435 6.791 ( -2.720 0.000 7.568) 8.042 7.084 ( 5.911 0.000 9.602) 11.275 7.229 ( -2.827 0.000 2.097) 3.520 7.558 ( -16.924 0.000 -6.432) 18.105 7.700 ( 0.658 0.000 -3.711) 3.769 7.781 ( 0.259 0.000 -3.032) 3.043 7.990 ( -0.256 0.000 -2.704) 2.716 8.046 ( -3.239 0.000 -10.996) 11.463 8.378 ( -4.499 0.000 -9.680) 10.674 8.405 ( 5.710 0.000 -0.399) 5.724 8.645 ( 1.837 0.000 -5.282) 5.593 8.721 ( 2.810 0.000 5.369) 6.060 9.374 ( -2.287 0.000 -1.576) 2.778 9.461 ( -2.018 0.000 -0.323) 2.044 9.726 ( -1.947 0.000 -9.889) 10.078 9.778 ( 0.770 0.000 -0.819) 1.124 9.847 ( 2.756 0.000 -3.914) 4.787 10.218 ( 1.553 0.000 3.379) 3.719 10.249 ( 0.599 0.000 -11.570) 11.585 10.472 ( 2.300 0.000 0.794) 2.433 10.848 ( -0.621 0.000 7.216) 7.242 11.003 ( -2.206 0.000 -3.607) 4.229 11.007 ( -0.892 0.000 -0.200) 0.914 11.144 ( -0.480 0.000 -14.261) 14.269 11.446 ( -6.522 0.000 12.436) 14.043 12.223 ( 1.068 0.000 8.198) 8.268 12.438 ( 0.954 0.000 8.766) 8.818 12.686 ( -19.849 0.000 10.005) 22.228 14.588 ( -3.183 0.000 2.514) 4.056 14.655 ( -1.364 0.000 3.902) 4.134 14.790 ( 0.577 0.000 -1.534) 1.639 14.970 ( 0.872 0.000 -1.016) 1.339 15.071 ( -10.690 0.000 16.635) 19.773 15.535 ( 3.111 0.000 15.646) 15.952 15.560 ( -0.376 0.000 2.624) 2.651 16.067 ( -2.681 0.000 4.868) 5.557 16.681 ( -3.510 0.000 3.033) 4.639 17.277 ( -0.451 0.000 6.076) 6.092 17.906 ( -8.036 0.000 -10.658) 13.348 18.077 ( -12.964 0.000 0.193) 12.965 18.343 ( 1.264 0.000 3.648) 3.861 18.430 ( -5.622 0.000 4.853) 7.427 18.742 ( -0.010 0.000 -2.814) 2.814 18.862 ( 1.500 0.000 -1.566) 2.169 21.632 ( 3.008 0.000 3.598) 4.690 21.692 ( 11.138 0.000 -3.471) 11.666 21.843 ( 2.082 0.000 -1.150) 2.378 22.000 ( 0.720 0.000 3.252) 3.331 22.264 ( 4.856 0.000 -7.426) 8.873 22.655 ( -0.197 0.000 -4.120) 4.124 22.736 ( -2.687 0.000 -4.707) 5.419 22.855 ( -0.242 0.000 -6.250) 6.254 ======================= Grid point 92 (33/90) ======================= q-point: ( 0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( 11.666 0.000 21.755) 24.686 1.648 ( 19.887 0.000 11.831) 23.140 1.861 ( 4.486 0.000 1.608) 4.766 1.899 ( 9.049 0.000 11.463) 14.604 2.236 ( 6.610 0.000 6.169) 9.042 2.423 ( 3.743 0.000 39.239) 39.417 2.545 ( 5.234 0.000 -4.802) 7.103 2.647 ( 5.977 0.000 28.717) 29.332 3.063 ( 3.297 0.000 5.808) 6.678 3.138 ( 2.328 0.000 -0.970) 2.522 3.162 ( -0.324 0.000 0.415) 0.526 3.294 ( -2.033 0.000 -0.928) 2.235 3.874 ( -2.862 0.000 -1.101) 3.067 4.053 ( -2.361 0.000 -1.878) 3.017 4.073 ( 0.267 0.000 -2.429) 2.443 4.347 ( 0.387 0.000 -6.609) 6.620 4.425 ( 0.980 0.000 -3.171) 3.319 4.747 ( 4.671 0.000 -9.638) 10.710 4.762 ( -2.219 0.000 -2.481) 3.328 5.095 ( 2.873 0.000 -4.617) 5.438 5.139 ( -1.372 0.000 -13.873) 13.941 5.364 ( 6.164 0.000 -5.360) 8.169 5.439 ( -0.103 0.000 -4.538) 4.539 5.454 ( -4.627 0.000 0.299) 4.637 5.555 ( -3.490 0.000 -0.401) 3.513 5.746 ( -3.432 0.000 11.029) 11.551 5.883 ( -1.032 0.000 -12.334) 12.377 6.190 ( 5.285 0.000 1.807) 5.585 6.296 ( -6.306 0.000 -3.680) 7.302 6.477 ( 0.970 0.000 -6.602) 6.673 6.607 ( 6.420 0.000 -2.636) 6.940 6.651 ( 5.626 0.000 4.750) 7.363 6.734 ( -2.601 0.000 8.114) 8.521 7.171 ( -0.334 0.000 6.043) 6.052 7.173 ( -2.212 0.000 3.088) 3.799 7.286 ( -6.134 0.000 -0.257) 6.139 7.713 ( 0.805 0.000 -2.316) 2.452 7.787 ( 0.040 0.000 -1.675) 1.676 7.893 ( -8.038 0.000 1.924) 8.265 7.899 ( -11.228 0.000 -2.277) 11.457 8.354 ( 2.094 0.000 -10.998) 11.195 8.547 ( 7.714 0.000 -1.826) 7.927 8.666 ( 0.227 0.000 -7.570) 7.573 8.769 ( 1.837 0.000 1.710) 2.510 9.319 ( -3.186 0.000 -2.444) 4.015 9.405 ( -3.673 0.000 -3.114) 4.815 9.701 ( -0.401 0.000 -7.304) 7.315 9.803 ( 1.464 0.000 -6.403) 6.568 9.899 ( 2.814 0.000 -0.411) 2.844 10.254 ( 1.771 0.000 3.327) 3.770 10.273 ( 2.007 0.000 -9.593) 9.801 10.516 ( 1.826 0.000 -0.027) 1.826 10.815 ( -2.977 0.000 2.747) 4.051 10.959 ( -2.006 0.000 -4.904) 5.299 11.006 ( 1.334 0.000 5.368) 5.531 11.116 ( -2.511 0.000 -11.107) 11.388 11.283 ( -9.665 0.000 16.984) 19.542 12.226 ( -25.190 0.000 27.190) 37.065 12.257 ( 2.574 0.000 7.908) 8.317 12.458 ( 0.834 0.000 8.204) 8.246 14.521 ( -3.339 0.000 2.637) 4.254 14.608 ( -3.280 0.000 8.111) 8.749 14.808 ( 1.318 0.000 -2.291) 2.643 14.943 ( -2.887 0.000 15.190) 15.462 14.988 ( 0.737 0.000 -1.439) 1.616 15.450 ( -9.712 0.000 26.266) 28.004 15.557 ( 0.263 0.000 3.497) 3.507 15.994 ( -4.779 0.000 4.815) 6.784 16.738 ( 9.326 0.000 -7.061) 11.698 17.265 ( -0.650 0.000 5.146) 5.187 17.717 ( -10.710 0.000 -6.908) 12.745 17.834 ( -10.939 0.000 0.465) 10.949 18.368 ( 1.243 0.000 4.239) 4.418 18.381 ( -0.745 0.000 6.338) 6.382 18.749 ( 0.825 0.000 -3.254) 3.357 18.884 ( 0.543 0.000 -1.620) 1.709 21.705 ( 4.328 0.000 3.031) 5.284 21.890 ( 2.233 0.000 -0.277) 2.250 21.891 ( 9.497 0.000 -5.473) 10.961 22.030 ( 2.811 0.000 2.148) 3.538 22.344 ( 2.710 0.000 -10.632) 10.972 22.651 ( -0.106 0.000 -3.982) 3.984 22.661 ( -5.068 0.000 -4.281) 6.634 22.838 ( -1.669 0.000 -5.404) 5.656 ======================= Grid point 93 (34/90) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( 11.528 0.000 13.110) 17.457 1.883 ( 7.725 0.000 10.879) 13.342 2.004 ( 6.431 0.000 1.199) 6.542 2.033 ( 3.879 0.000 5.134) 6.435 2.388 ( 8.949 0.000 6.555) 11.092 2.509 ( 5.299 0.000 32.134) 32.568 2.630 ( 2.954 0.000 -0.676) 3.030 2.758 ( 3.394 0.000 24.565) 24.799 3.132 ( 3.771 0.000 4.803) 6.107 3.148 ( 0.240 0.000 -2.416) 2.428 3.171 ( 0.415 0.000 2.655) 2.687 3.265 ( -0.955 0.000 0.489) 1.073 3.828 ( -1.505 0.000 0.600) 1.620 3.992 ( -4.039 0.000 -0.243) 4.046 4.126 ( 5.689 0.000 -2.909) 6.390 4.363 ( 1.319 0.000 -1.465) 1.972 4.464 ( 2.848 0.000 -3.553) 4.553 4.695 ( -4.578 0.000 -2.302) 5.124 4.855 ( 6.262 0.000 -11.499) 13.094 5.134 ( 1.157 0.000 -10.605) 10.668 5.188 ( 5.962 0.000 -5.410) 8.050 5.281 ( -6.691 0.000 -2.872) 7.282 5.407 ( -2.710 0.000 4.115) 4.927 5.519 ( -0.068 0.000 -0.827) 0.830 5.558 ( 4.211 0.000 -8.254) 9.267 5.730 ( 5.040 0.000 -2.820) 5.776 5.858 ( -1.463 0.000 -14.177) 14.252 6.112 ( -10.608 0.000 -7.426) 12.949 6.245 ( -0.843 0.000 -3.225) 3.334 6.398 ( -12.900 0.000 -6.721) 14.546 6.674 ( 1.343 0.000 -1.497) 2.011 6.702 ( -0.909 0.000 7.532) 7.587 6.757 ( 8.586 0.000 0.093) 8.586 7.119 ( -0.958 0.000 3.982) 4.096 7.175 ( 2.834 0.000 6.705) 7.279 7.325 ( 4.389 0.000 7.440) 8.639 7.645 ( -12.350 0.000 5.845) 13.663 7.721 ( -9.298 0.000 4.228) 10.214 7.735 ( 1.440 0.000 -0.804) 1.649 7.803 ( -0.143 0.000 0.667) 0.682 8.426 ( 4.679 0.000 -11.649) 12.553 8.652 ( -1.718 0.000 -8.829) 8.995 8.674 ( 5.209 0.000 -1.667) 5.469 8.788 ( 0.193 0.000 -0.650) 0.678 9.263 ( -2.327 0.000 -4.268) 4.861 9.328 ( -4.006 0.000 -5.656) 6.932 9.713 ( 1.567 0.000 -7.100) 7.271 9.820 ( -0.057 0.000 -10.581) 10.581 9.967 ( 4.616 0.000 3.681) 5.904 10.267 ( -1.058 0.000 2.311) 2.542 10.328 ( 3.643 0.000 -7.390) 8.239 10.529 ( -0.713 0.000 -1.498) 1.659 10.756 ( -2.098 0.000 5.324) 5.723 10.934 ( -0.546 0.000 -5.183) 5.211 11.023 ( -4.005 0.000 -2.446) 4.693 11.053 ( -3.750 0.000 -8.094) 8.921 11.142 ( -0.206 0.000 31.364) 31.364 11.791 ( -19.417 0.000 31.785) 37.246 12.318 ( 3.598 0.000 7.429) 8.254 12.463 ( -0.366 0.000 7.658) 7.667 14.473 ( -1.461 0.000 4.025) 4.282 14.543 ( -3.170 0.000 7.494) 8.137 14.842 ( 2.284 0.000 -2.951) 3.732 14.933 ( 1.304 0.000 14.946) 15.003 14.988 ( -0.901 0.000 -2.158) 2.338 15.251 ( -9.796 0.000 25.210) 27.047 15.581 ( 2.453 0.000 4.390) 5.029 15.888 ( -6.095 0.000 4.897) 7.819 16.972 ( 13.513 0.000 -10.969) 17.405 17.259 ( 0.320 0.000 3.535) 3.549 17.522 ( -9.150 0.000 -3.073) 9.652 17.644 ( -9.504 0.000 -3.546) 10.144 18.379 ( 0.357 0.000 6.195) 6.205 18.388 ( 0.691 0.000 4.707) 4.758 18.773 ( 1.680 0.000 -3.132) 3.554 18.880 ( -0.928 0.000 -1.731) 1.964 21.787 ( 4.026 0.000 2.600) 4.792 21.913 ( 0.101 0.000 1.392) 1.395 22.063 ( 8.429 0.000 -5.759) 10.208 22.117 ( 6.126 0.000 0.010) 6.126 22.362 ( -0.784 0.000 -9.995) 10.026 22.545 ( -6.851 0.000 -3.555) 7.718 22.655 ( 0.599 0.000 -3.747) 3.794 22.791 ( -3.076 0.000 -4.213) 5.216 ======================= Grid point 94 (35/90) ======================= q-point: ( 0.44 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( 8.546 0.000 6.476) 10.723 2.003 ( 4.712 0.000 8.647) 9.847 2.036 ( -3.271 0.000 3.396) 4.715 2.056 ( -0.509 0.000 5.846) 5.868 2.551 ( 7.118 0.000 5.499) 8.995 2.627 ( 6.611 0.000 25.537) 26.378 2.641 ( -2.038 0.000 2.808) 3.470 2.740 ( -4.438 0.000 22.296) 22.733 3.161 ( 0.718 0.000 -0.099) 0.725 3.171 ( -0.318 0.000 1.473) 1.507 3.201 ( 3.172 0.000 3.539) 4.752 3.246 ( -1.448 0.000 2.041) 2.503 3.832 ( 2.177 0.000 1.531) 2.661 3.904 ( -4.734 0.000 1.110) 4.863 4.269 ( 7.745 0.000 -2.814) 8.241 4.369 ( -1.911 0.000 -0.972) 2.144 4.527 ( 3.566 0.000 -2.218) 4.199 4.603 ( -4.513 0.000 -2.001) 4.937 4.978 ( 6.439 0.000 -11.927) 13.554 5.101 ( -5.934 0.000 -11.253) 12.722 5.264 ( 6.088 0.000 -0.736) 6.133 5.293 ( 4.447 0.000 -3.702) 5.786 5.358 ( -2.571 0.000 -1.298) 2.880 5.414 ( -8.073 0.000 1.226) 8.166 5.700 ( 9.648 0.000 -4.464) 10.631 5.835 ( -2.116 0.000 -9.870) 10.094 5.916 ( 11.757 0.000 -12.804) 17.383 5.948 ( -3.406 0.000 -14.739) 15.127 6.095 ( -15.378 0.000 -7.642) 17.173 6.135 ( -9.883 0.000 -11.201) 14.938 6.691 ( 0.629 0.000 2.281) 2.366 6.696 ( 0.095 0.000 7.782) 7.782 6.941 ( 9.232 0.000 1.276) 9.320 7.078 ( -4.498 0.000 3.851) 5.921 7.272 ( 6.767 0.000 10.104) 12.161 7.421 ( 5.791 0.000 7.186) 9.229 7.430 ( -9.741 0.000 10.534) 14.348 7.552 ( -7.938 0.000 5.889) 9.884 7.767 ( 1.718 0.000 0.764) 1.880 7.794 ( -0.966 0.000 1.340) 1.652 8.519 ( 4.732 0.000 -10.993) 11.969 8.600 ( -3.567 0.000 -9.921) 10.543 8.747 ( 2.599 0.000 -1.472) 2.987 8.780 ( -0.985 0.000 -1.378) 1.694 9.238 ( -0.068 0.000 -6.125) 6.126 9.263 ( -2.524 0.000 -6.792) 7.246 9.755 ( 2.469 0.000 -8.351) 8.709 9.799 ( -1.918 0.000 -10.101) 10.281 10.077 ( 6.498 0.000 3.672) 7.464 10.199 ( -5.624 0.000 2.231) 6.050 10.408 ( 4.485 0.000 -5.425) 7.039 10.488 ( -3.434 0.000 -3.491) 4.897 10.768 ( 3.589 0.000 8.766) 9.473 10.880 ( -7.577 0.000 7.352) 10.558 10.941 ( 1.346 0.000 -5.151) 5.324 10.984 ( -3.091 0.000 -5.918) 6.676 11.258 ( 9.309 0.000 25.939) 27.559 11.477 ( -13.580 0.000 28.430) 31.507 12.387 ( 3.358 0.000 7.174) 7.921 12.440 ( -2.036 0.000 7.279) 7.558 14.465 ( 0.540 0.000 4.864) 4.894 14.492 ( -2.127 0.000 5.932) 6.302 14.894 ( 3.055 0.000 -3.139) 4.380 14.952 ( -2.695 0.000 -2.821) 3.901 14.985 ( 4.062 0.000 17.303) 17.774 15.090 ( -6.895 0.000 21.024) 22.126 15.654 ( 5.060 0.000 4.865) 7.020 15.766 ( -6.362 0.000 4.974) 8.076 17.227 ( 12.643 0.000 -10.282) 16.296 17.288 ( 2.882 0.000 1.779) 3.387 17.374 ( -6.112 0.000 -0.172) 6.114 17.451 ( -10.746 0.000 -7.502) 13.106 18.388 ( 0.487 0.000 5.784) 5.804 18.394 ( -0.036 0.000 5.269) 5.269 18.811 ( 2.139 0.000 -2.625) 3.386 18.851 ( -1.911 0.000 -2.074) 2.820 21.855 ( 2.924 0.000 2.368) 3.763 21.898 ( -1.551 0.000 2.118) 2.625 22.211 ( 6.768 0.000 -6.816) 9.606 22.253 ( 7.682 0.000 -1.457) 7.819 22.316 ( -3.980 0.000 -8.384) 9.281 22.403 ( -7.793 0.000 -2.590) 8.212 22.679 ( 1.943 0.000 -3.439) 3.950 22.729 ( -3.137 0.000 -3.444) 4.659 ======================= Grid point 99 (36/90) ======================= q-point: ( 0.00 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( 0.000 8.928 17.317) 19.482 1.240 ( 0.000 3.663 23.777) 24.058 1.535 ( 0.000 -10.252 15.949) 18.960 1.972 ( 0.000 -16.801 3.159) 17.096 2.003 ( 0.000 4.191 13.019) 13.677 2.174 ( 0.000 -7.527 12.611) 14.687 2.445 ( 0.000 6.654 40.724) 41.264 2.580 ( 0.000 1.640 19.167) 19.237 3.069 ( 0.000 6.276 11.794) 13.360 3.142 ( 0.000 6.673 -0.718) 6.712 3.156 ( 0.000 0.539 -0.467) 0.713 3.312 ( 0.000 -3.854 2.796) 4.761 3.960 ( 0.000 1.188 -3.140) 3.357 4.025 ( 0.000 -2.413 -3.286) 4.077 4.192 ( 0.000 3.315 -6.299) 7.118 4.281 ( 0.000 -1.353 -8.968) 9.070 4.522 ( 0.000 6.007 -6.265) 8.680 4.671 ( 0.000 0.704 -7.398) 7.432 4.766 ( 0.000 -3.208 -1.735) 3.647 4.913 ( 0.000 -10.006 -14.044) 17.244 5.160 ( 0.000 4.206 -2.880) 5.097 5.339 ( 0.000 -10.253 3.221) 10.747 5.345 ( 0.000 3.142 -2.282) 3.883 5.523 ( 0.000 8.340 -17.025) 18.958 5.709 ( 0.000 -8.861 4.919) 10.135 5.753 ( 0.000 -1.084 -1.762) 2.068 6.044 ( 0.000 0.962 6.238) 6.311 6.098 ( 0.000 -1.116 7.280) 7.365 6.290 ( 0.000 2.346 -3.410) 4.140 6.338 ( 0.000 -0.222 -4.155) 4.161 6.457 ( 0.000 14.171 5.827) 15.322 6.675 ( 0.000 2.349 2.751) 3.618 6.780 ( 0.000 -3.476 7.545) 8.307 6.952 ( 0.000 -5.322 10.657) 11.912 7.378 ( 0.000 9.532 -3.161) 10.043 7.697 ( 0.000 0.100 -5.658) 5.659 7.764 ( 0.000 -1.173 -3.171) 3.381 7.786 ( 0.000 -6.718 -7.220) 9.862 7.897 ( 0.000 4.912 -7.361) 8.850 8.085 ( 0.000 -0.306 -8.620) 8.625 8.320 ( 0.000 -1.966 -3.126) 3.693 8.400 ( 0.000 -3.706 -9.680) 10.366 8.654 ( 0.000 2.865 1.708) 3.335 8.705 ( 0.000 0.993 6.400) 6.477 9.408 ( 0.000 0.842 -2.836) 2.959 9.454 ( 0.000 -1.791 -2.271) 2.893 9.752 ( 0.000 -0.221 -12.231) 12.233 9.783 ( 0.000 -1.612 -11.247) 11.362 9.852 ( 0.000 6.135 7.679) 9.829 10.134 ( 0.000 -5.415 4.266) 6.894 10.269 ( 0.000 1.734 -7.099) 7.308 10.406 ( 0.000 -3.534 0.891) 3.645 10.891 ( 0.000 3.500 2.967) 4.589 11.015 ( 0.000 -0.769 -4.756) 4.818 11.082 ( 0.000 3.671 -3.293) 4.931 11.139 ( 0.000 -0.425 -12.902) 12.909 11.606 ( 0.000 10.244 15.392) 18.489 12.249 ( 0.000 3.339 8.418) 9.056 12.364 ( 0.000 -7.899 9.614) 12.443 12.605 ( 0.000 -22.403 9.488) 24.329 14.558 ( 0.000 -4.872 2.971) 5.707 14.595 ( 0.000 -2.646 5.849) 6.420 14.832 ( 0.000 2.837 -0.521) 2.884 14.941 ( 0.000 -1.878 -0.724) 2.013 15.259 ( 0.000 -3.945 13.284) 13.857 15.264 ( 0.000 -1.465 18.109) 18.169 15.812 ( 0.000 12.880 -4.415) 13.616 16.079 ( 0.000 -1.717 3.122) 3.563 16.810 ( 0.000 5.887 7.937) 9.882 17.190 ( 0.000 -8.476 10.594) 13.568 17.993 ( 0.000 0.496 -12.048) 12.058 18.159 ( 0.000 -6.408 -4.445) 7.799 18.322 ( 0.000 -0.505 3.315) 3.354 18.361 ( 0.000 -7.514 2.351) 7.874 18.792 ( 0.000 1.949 -2.477) 3.152 18.837 ( 0.000 -0.562 -1.581) 1.678 21.555 ( 0.000 0.731 2.932) 3.022 21.593 ( 0.000 -0.733 3.713) 3.785 21.830 ( 0.000 0.737 -1.120) 1.341 21.901 ( 0.000 -3.672 1.211) 3.867 22.469 ( 0.000 15.276 -8.859) 17.659 22.678 ( 0.000 2.193 -4.428) 4.941 22.738 ( 0.000 -2.226 -4.905) 5.387 22.839 ( 0.000 -1.985 -7.230) 7.497 ======================= Grid point 100 (37/90) ======================= q-point: ( 0.11 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( 14.451 -1.405 18.375) 23.419 1.386 ( 14.474 6.297 15.603) 22.194 1.576 ( 4.821 -9.175 13.885) 17.327 1.983 ( -0.160 5.995 14.001) 15.231 2.039 ( 6.306 -11.799 5.579) 14.496 2.238 ( 6.129 -6.959 11.195) 14.537 2.458 ( 1.468 7.045 37.315) 38.003 2.654 ( 5.976 0.278 18.230) 19.187 3.078 ( 0.699 4.322 10.095) 11.004 3.127 ( -0.490 3.261 -1.774) 3.744 3.169 ( 0.289 3.144 3.089) 4.417 3.305 ( -0.473 -2.765 0.971) 2.969 3.939 ( -1.945 1.192 -2.796) 3.608 4.013 ( -0.915 -2.249 -2.266) 3.321 4.174 ( -1.755 3.027 -5.988) 6.935 4.311 ( 2.687 -1.217 -9.532) 9.978 4.494 ( -2.630 5.162 -4.525) 7.351 4.672 ( 0.054 -1.439 -9.011) 9.125 4.766 ( 0.406 -1.643 -1.661) 2.371 4.924 ( 1.296 -8.299 -11.137) 13.950 5.207 ( 3.045 1.852 -5.307) 6.393 5.332 ( 0.767 5.012 -0.142) 5.072 5.348 ( 0.438 -9.866 2.238) 10.126 5.499 ( -1.625 6.171 -15.055) 16.352 5.641 ( -6.154 -2.332 0.514) 6.601 5.806 ( 4.030 -3.654 -5.556) 7.776 6.005 ( -6.999 4.006 9.805) 12.696 6.075 ( 1.798 -0.926 4.463) 4.900 6.301 ( 3.164 0.862 -3.915) 5.107 6.443 ( 8.191 0.432 -3.520) 8.926 6.540 ( 5.573 5.248 5.695) 9.541 6.575 ( -7.520 0.961 1.946) 7.827 6.788 ( 1.061 0.715 8.455) 8.551 7.037 ( 6.501 -3.952 9.974) 12.544 7.327 ( -4.689 7.555 -2.858) 9.340 7.566 ( -16.310 0.222 -6.092) 17.412 7.709 ( 0.781 0.767 -4.254) 4.392 7.774 ( 0.403 -0.596 -3.171) 3.251 7.897 ( -0.418 -5.381 -7.072) 8.896 8.097 ( -5.358 1.894 -4.031) 6.968 8.356 ( -0.978 -1.584 -7.899) 8.115 8.371 ( 4.892 -2.416 -5.223) 7.553 8.665 ( 1.339 1.565 -1.492) 2.544 8.751 ( 3.214 2.088 5.148) 6.418 9.383 ( -2.351 0.679 -2.897) 3.793 9.442 ( -1.382 -1.300 -2.847) 3.421 9.716 ( -1.895 -0.850 -11.058) 11.251 9.818 ( 1.905 -0.216 -12.030) 12.182 9.857 ( 0.610 4.774 7.366) 8.800 10.141 ( 0.662 -5.820 3.769) 6.965 10.286 ( 1.870 2.299 -6.481) 7.127 10.433 ( 2.453 -3.412 0.989) 4.317 10.871 ( -1.767 2.065 1.624) 3.166 11.010 ( -1.238 0.850 -2.654) 3.049 11.049 ( -1.896 1.951 -5.652) 6.272 11.147 ( -0.060 0.542 -10.287) 10.302 11.533 ( -7.169 9.471 17.151) 20.863 12.246 ( -0.643 1.213 8.906) 9.011 12.324 ( -7.134 -15.314 13.670) 21.732 12.502 ( -6.051 -9.340 11.855) 16.260 14.534 ( -2.028 -3.286 3.359) 5.118 14.597 ( -0.297 -3.140 6.251) 7.001 14.831 ( -0.016 2.495 -1.070) 2.715 14.958 ( 1.610 -1.256 -0.787) 2.188 15.062 ( -8.981 -0.424 16.177) 18.508 15.399 ( 2.923 -3.809 17.501) 18.148 15.804 ( -2.089 11.145 -0.374) 11.345 16.069 ( -1.510 0.004 3.448) 3.764 16.706 ( -5.757 2.254 5.179) 8.065 17.234 ( 2.815 -3.745 7.855) 9.146 17.811 ( -13.395 -6.266 -7.568) 16.612 18.100 ( -6.570 1.220 -4.120) 7.850 18.339 ( 1.373 -0.313 3.710) 3.968 18.384 ( 0.609 -2.644 3.432) 4.375 18.754 ( -1.551 0.696 -2.214) 2.792 18.867 ( 1.609 0.339 -1.849) 2.475 21.629 ( 4.035 -0.264 2.982) 5.024 21.664 ( 8.776 -1.754 -0.031) 8.950 21.853 ( 2.324 0.860 -1.169) 2.740 21.925 ( 2.374 -3.431 0.993) 4.288 22.449 ( -1.762 11.119 -9.152) 14.508 22.666 ( -1.253 0.696 -4.450) 4.675 22.722 ( -1.504 -0.979 -4.690) 5.022 22.847 ( 0.362 -0.787 -6.876) 6.930 ======================= Grid point 101 (38/90) ======================= q-point: ( 0.22 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( 14.222 -5.632 17.135) 22.970 1.650 ( 9.786 -7.403 7.461) 14.360 1.771 ( 14.365 4.132 12.477) 19.471 2.044 ( 6.821 7.132 8.488) 13.016 2.197 ( 9.668 -3.536 7.813) 12.924 2.388 ( 8.435 -5.522 15.937) 18.858 2.503 ( 3.577 4.835 24.493) 25.221 2.749 ( 2.787 0.327 18.400) 18.613 3.084 ( 0.132 -1.947 3.822) 4.292 3.139 ( 1.369 5.475 1.124) 5.754 3.166 ( -0.076 0.879 5.166) 5.241 3.297 ( -0.514 -0.279 -0.771) 0.968 3.897 ( -2.128 1.779 -1.547) 3.176 3.999 ( -0.587 -1.929 -1.121) 2.307 4.138 ( -1.352 2.570 -4.899) 5.695 4.362 ( 2.099 0.445 -8.061) 8.341 4.443 ( -1.776 2.464 -2.456) 3.906 4.677 ( 0.118 -4.438 -7.964) 9.118 4.778 ( 0.956 -0.497 -3.859) 4.007 4.985 ( 5.672 -4.737 -8.128) 10.985 5.227 ( -0.082 2.729 -6.989) 7.504 5.337 ( -1.524 -6.193 -0.725) 6.418 5.389 ( 2.109 1.511 -3.652) 4.480 5.480 ( -1.479 1.270 -1.468) 2.440 5.569 ( 2.364 3.931 -10.716) 11.656 5.838 ( -3.804 2.547 2.644) 5.286 5.873 ( -3.400 1.501 -4.158) 5.578 6.090 ( -1.307 -6.223 2.025) 6.673 6.359 ( -0.624 3.171 -2.379) 4.012 6.473 ( -0.523 -0.697 -6.667) 6.724 6.578 ( 2.129 -1.858 -0.494) 2.869 6.626 ( 5.286 -1.629 6.749) 8.726 6.817 ( 1.181 6.449 7.553) 10.001 7.140 ( 2.942 -2.223 7.588) 8.436 7.225 ( -6.305 3.378 -1.203) 7.253 7.299 ( -6.722 1.012 -1.330) 6.927 7.721 ( 0.623 0.570 -2.790) 2.915 7.785 ( 0.411 -0.146 -1.745) 1.799 7.853 ( -4.713 -2.547 -0.955) 5.442 7.899 ( -12.671 -0.606 1.813) 12.815 8.354 ( 1.976 -0.058 -10.682) 10.863 8.496 ( 5.398 -3.483 -5.990) 8.783 8.699 ( 1.989 2.328 -3.047) 4.320 8.797 ( 1.354 1.821 1.868) 2.940 9.328 ( -3.095 0.731 -3.603) 4.806 9.399 ( -2.975 -0.471 -4.139) 5.119 9.698 ( 0.094 -0.433 -9.682) 9.692 9.840 ( 0.532 2.149 -10.781) 11.006 9.882 ( 1.930 0.551 4.760) 5.166 10.157 ( 0.883 -6.778 3.204) 7.549 10.336 ( 3.049 3.656 -5.390) 7.191 10.487 ( 2.977 -2.636 1.111) 4.128 10.831 ( -2.444 1.076 -0.075) 2.672 10.958 ( -2.976 0.837 -2.298) 3.852 11.035 ( -0.370 0.709 -3.421) 3.513 11.122 ( -2.488 0.686 -8.382) 8.770 11.361 ( -9.678 8.359 22.079) 25.515 12.007 ( -19.093 -17.063 27.384) 37.491 12.282 ( 2.004 1.276 8.471) 8.798 12.472 ( 0.499 0.252 8.693) 8.711 14.494 ( -1.932 -1.401 3.893) 4.567 14.575 ( -1.983 -2.369 7.199) 7.834 14.837 ( 0.846 2.086 -2.155) 3.116 14.943 ( -3.296 -0.033 14.914) 15.274 14.994 ( 1.797 0.084 -0.803) 1.970 15.372 ( -5.269 -3.386 22.518) 23.373 15.715 ( -5.724 9.441 4.663) 11.985 15.993 ( -6.007 -0.319 5.553) 8.187 16.739 ( 8.836 0.098 -6.523) 10.984 17.266 ( 0.540 0.143 4.912) 4.944 17.585 ( -9.689 -7.382 -4.677) 13.048 17.928 ( -10.401 4.434 -3.118) 11.729 18.366 ( 1.269 -0.209 4.207) 4.399 18.382 ( -0.331 0.085 5.838) 5.848 18.749 ( 0.715 0.035 -3.158) 3.238 18.887 ( 0.336 0.219 -1.715) 1.761 21.719 ( 5.035 1.333 2.613) 5.827 21.836 ( 7.817 -3.776 -1.739) 8.854 21.914 ( 3.995 1.206 -1.511) 4.438 21.990 ( 4.435 -2.413 -0.031) 5.049 22.412 ( -1.948 4.471 -9.348) 10.544 22.624 ( -3.337 -1.276 -4.612) 5.833 22.691 ( -1.335 1.450 -4.120) 4.567 22.836 ( -1.683 -0.180 -5.533) 5.786 ======================= Grid point 102 (39/90) ======================= q-point: ( 0.33 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( 11.773 -4.585 12.879) 18.041 1.809 ( 6.724 -5.827 7.148) 11.413 1.992 ( 8.982 3.587 13.155) 16.328 2.194 ( 6.316 8.417 1.473) 10.626 2.386 ( 9.354 -0.485 6.756) 11.549 2.503 ( 3.971 -1.020 30.098) 30.376 2.619 ( 6.699 -0.555 1.496) 6.886 2.744 ( -2.807 -1.523 20.067) 20.319 3.098 ( 1.192 -2.160 1.652) 2.969 3.146 ( -0.289 -1.422 2.368) 2.778 3.193 ( 2.378 3.386 2.931) 5.070 3.285 ( -0.655 0.919 -0.427) 1.207 3.865 ( -1.017 2.772 0.155) 2.957 3.978 ( -2.060 -0.820 -0.424) 2.257 4.156 ( 3.914 1.907 -3.218) 5.414 4.381 ( 0.188 1.629 -0.884) 1.862 4.451 ( 2.158 -0.992 -5.470) 5.963 4.646 ( -3.410 -3.640 -3.809) 6.276 4.834 ( 5.220 -1.817 -8.549) 10.180 5.113 ( 4.730 -1.044 -9.403) 10.577 5.242 ( 3.515 3.072 -6.391) 7.915 5.290 ( -3.133 1.194 -1.274) 3.587 5.387 ( 0.322 -1.109 -2.185) 2.472 5.509 ( 4.069 -2.218 -6.874) 8.290 5.612 ( -5.033 5.523 4.662) 8.807 5.763 ( 3.707 2.921 -5.929) 7.578 5.859 ( -0.401 0.005 -12.939) 12.945 6.008 ( -6.154 -7.130 -5.232) 10.774 6.308 ( -5.588 3.334 -5.555) 8.556 6.391 ( -11.108 -0.220 -5.855) 12.558 6.554 ( 0.555 -6.795 -0.375) 6.828 6.716 ( 2.099 1.292 4.186) 4.857 6.874 ( 5.098 5.753 1.624) 7.856 7.095 ( -4.327 -1.609 3.230) 5.634 7.199 ( 4.057 1.672 7.462) 8.656 7.319 ( 4.126 -0.608 6.597) 7.804 7.644 ( -11.313 0.043 5.587) 12.618 7.722 ( -6.329 -0.104 4.032) 7.505 7.745 ( -0.611 0.959 0.483) 1.235 7.802 ( 0.132 -0.059 0.344) 0.373 8.418 ( 4.128 -0.633 -11.762) 12.482 8.558 ( 1.194 -4.797 -7.781) 9.218 8.739 ( 2.032 2.813 -2.621) 4.349 8.805 ( -0.307 1.020 -0.929) 1.413 9.275 ( -2.203 0.946 -4.836) 5.398 9.335 ( -3.493 0.377 -5.506) 6.531 9.718 ( 1.869 0.387 -8.954) 9.155 9.839 ( -0.763 1.601 -11.383) 11.520 9.932 ( 3.462 -1.727 4.109) 5.644 10.160 ( -1.065 -7.644 2.377) 8.075 10.397 ( 3.428 4.189 -3.263) 6.320 10.545 ( 2.712 0.713 -0.344) 2.825 10.774 ( -3.045 1.505 1.663) 3.782 10.925 ( -0.334 -0.549 -1.513) 1.644 11.005 ( -3.922 -1.455 -2.090) 4.676 11.059 ( -3.722 0.468 -7.356) 8.257 11.218 ( -3.263 7.103 28.358) 29.415 11.665 ( -15.612 -10.695 30.390) 35.800 12.337 ( 3.423 1.261 7.734) 8.551 12.477 ( -0.288 0.964 7.854) 7.918 14.466 ( -0.884 -0.322 4.409) 4.508 14.528 ( -2.549 -1.249 6.899) 7.460 14.867 ( 2.284 1.946 -3.150) 4.350 14.923 ( 0.836 -0.493 14.542) 14.574 15.015 ( 0.106 1.539 -1.471) 2.132 15.230 ( -8.345 -1.625 23.876) 25.344 15.642 ( -1.403 5.153 4.773) 7.163 15.869 ( -6.542 -1.954 5.267) 8.623 16.964 ( 12.807 -0.573 -10.100) 16.321 17.268 ( 0.158 0.715 2.645) 2.745 17.433 ( -6.276 -5.058 -3.205) 8.674 17.723 ( -10.701 4.278 -4.010) 12.202 18.381 ( 0.226 0.118 6.160) 6.165 18.385 ( 0.682 -0.201 4.837) 4.889 18.773 ( 1.665 -0.008 -3.144) 3.558 18.880 ( -1.028 -0.003 -1.739) 2.020 21.811 ( 4.339 2.214 2.221) 5.353 21.919 ( 1.362 -0.192 1.097) 1.760 22.026 ( 6.988 -2.186 -3.372) 8.061 22.096 ( 6.302 -1.870 -1.955) 6.858 22.374 ( -2.057 0.795 -8.577) 8.856 22.538 ( -5.454 -0.401 -4.492) 7.077 22.677 ( -0.099 1.561 -3.685) 4.003 22.788 ( -3.035 -0.269 -4.069) 5.084 ======================= Grid point 103 (40/90) ======================= q-point: ( 0.44 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( 6.155 -3.971 10.326) 12.661 1.885 ( 0.737 -3.805 8.694) 9.519 2.145 ( 6.945 5.664 9.866) 13.329 2.237 ( -1.827 8.258 3.813) 9.277 2.529 ( 5.006 -1.924 10.176) 11.502 2.573 ( 1.940 -3.874 16.765) 17.315 2.672 ( -0.451 1.694 9.760) 9.917 2.698 ( -0.967 -1.418 13.477) 13.586 3.118 ( 0.946 -2.598 1.272) 3.043 3.136 ( -0.800 -2.585 1.717) 3.204 3.240 ( 2.267 2.019 1.600) 3.431 3.271 ( -0.962 1.361 0.539) 1.752 3.869 ( 1.618 2.847 1.434) 3.575 3.921 ( -3.367 1.394 0.982) 3.774 4.271 ( 6.700 0.012 -1.694) 6.911 4.366 ( -2.554 -0.259 0.286) 2.583 4.503 ( 3.040 -1.813 -4.985) 6.114 4.569 ( -3.968 -2.443 -3.887) 6.068 4.964 ( 7.602 -1.026 -9.778) 12.428 5.094 ( -5.081 -0.573 -11.636) 12.710 5.274 ( 2.211 1.130 1.474) 2.888 5.338 ( -0.218 1.115 -1.931) 2.240 5.397 ( 2.712 5.179 -2.333) 6.295 5.480 ( -5.120 5.894 -0.355) 7.815 5.640 ( 9.538 -4.794 -3.342) 11.185 5.809 ( -6.394 -3.320 -5.992) 9.370 5.870 ( 4.667 -2.505 -15.703) 16.572 5.983 ( 4.361 1.812 -14.212) 14.976 6.069 ( -10.481 -0.021 -9.956) 14.457 6.209 ( -10.564 4.371 -10.159) 15.294 6.609 ( 4.418 -6.246 3.671) 8.486 6.693 ( -3.578 -0.507 5.616) 6.678 6.971 ( 4.424 1.923 0.349) 4.836 7.039 ( -2.686 -2.558 2.922) 4.722 7.313 ( 7.405 3.146 11.339) 13.904 7.409 ( 4.709 -0.850 8.357) 9.630 7.467 ( -6.777 2.351 8.964) 11.481 7.557 ( -8.697 0.340 8.214) 11.968 7.771 ( 1.613 0.385 0.425) 1.711 7.796 ( -0.830 0.215 0.952) 1.281 8.496 ( 3.683 -1.725 -11.084) 11.807 8.550 ( -1.824 -3.510 -9.585) 10.369 8.772 ( 1.361 1.554 -2.292) 3.086 8.792 ( -0.866 0.768 -2.094) 2.393 9.252 ( 0.001 1.087 -5.917) 6.016 9.276 ( -2.362 0.943 -6.215) 6.716 9.763 ( 2.596 0.883 -9.400) 9.792 9.810 ( -2.156 1.146 -10.551) 10.829 10.014 ( 4.891 -4.292 2.701) 7.046 10.107 ( -4.257 -6.737 1.812) 8.172 10.475 ( 4.570 4.333 -1.628) 6.505 10.554 ( -2.616 4.571 -2.837) 5.982 10.766 ( 3.317 -0.184 6.498) 7.298 10.875 ( -6.827 -0.276 4.888) 8.401 10.949 ( 1.308 0.238 -3.513) 3.756 10.992 ( -3.016 0.714 -4.605) 5.551 11.253 ( 5.806 0.230 26.089) 26.729 11.414 ( -10.680 -5.409 27.542) 30.031 12.404 ( 3.294 1.199 7.412) 8.199 12.456 ( -1.982 1.146 7.479) 7.822 14.462 ( 0.517 -0.163 4.965) 4.994 14.485 ( -1.826 -0.538 5.832) 6.135 14.921 ( 3.109 2.119 -3.578) 5.192 14.958 ( 1.302 0.175 8.554) 8.655 15.002 ( 0.151 1.557 5.778) 5.986 15.083 ( -6.534 -0.616 20.381) 21.412 15.661 ( 3.119 0.762 5.270) 6.171 15.749 ( -5.698 -1.573 5.299) 7.939 17.181 ( 8.355 -2.528 -6.068) 10.632 17.274 ( -1.445 -2.764 -0.209) 3.126 17.367 ( 2.338 1.705 -4.088) 5.008 17.519 ( -10.367 3.662 -6.038) 12.544 18.387 ( 0.381 -0.068 5.897) 5.910 18.392 ( 0.004 -0.184 5.379) 5.382 18.810 ( 2.107 -0.047 -2.617) 3.360 18.850 ( -1.917 -0.074 -2.058) 2.813 21.881 ( 2.874 2.333 2.024) 4.219 21.919 ( -1.096 1.686 1.797) 2.697 22.151 ( 5.475 -4.103 -4.040) 7.946 22.197 ( 2.291 -4.166 -3.563) 5.941 22.347 ( 0.621 1.658 -6.436) 6.675 22.425 ( -5.922 1.311 -4.514) 7.561 22.689 ( 1.378 0.798 -3.368) 3.725 22.730 ( -2.750 0.052 -3.343) 4.329 ======================= Grid point 108 (41/90) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( 0.000 -11.601 11.399) 16.264 1.177 ( 0.000 11.601 11.399) 16.264 1.572 ( 0.000 -16.733 12.180) 20.696 1.572 ( 0.000 16.733 12.180) 20.696 2.084 ( 0.000 -3.295 16.058) 16.393 2.084 ( 0.000 3.295 16.058) 16.393 2.564 ( 0.000 -3.413 24.891) 25.124 2.564 ( 0.000 3.413 24.891) 25.124 3.173 ( 0.000 -2.548 -0.946) 2.718 3.173 ( 0.000 2.548 -0.946) 2.718 3.225 ( 0.000 -4.732 14.350) 15.110 3.225 ( 0.000 4.732 14.350) 15.110 3.989 ( 0.000 -1.411 -3.471) 3.747 3.989 ( 0.000 1.411 -3.471) 3.747 4.244 ( 0.000 -1.950 -7.705) 7.948 4.244 ( 0.000 1.950 -7.705) 7.948 4.648 ( 0.000 -5.112 -8.013) 9.505 4.648 ( 0.000 5.112 -8.013) 9.505 4.748 ( 0.000 -4.602 -7.107) 8.466 4.748 ( 0.000 4.602 -7.107) 8.466 5.218 ( 0.000 -2.173 -3.581) 4.189 5.218 ( 0.000 2.173 -3.581) 4.189 5.481 ( 0.000 -9.758 1.553) 9.881 5.481 ( 0.000 9.758 1.553) 9.881 5.689 ( 0.000 -6.472 -10.928) 12.701 5.689 ( 0.000 6.472 -10.928) 12.701 6.071 ( 0.000 -1.392 6.142) 6.298 6.071 ( 0.000 1.392 6.142) 6.298 6.323 ( 0.000 -0.615 -4.153) 4.198 6.323 ( 0.000 0.615 -4.153) 4.198 6.689 ( 0.000 -5.158 9.899) 11.162 6.689 ( 0.000 5.158 9.899) 11.162 6.791 ( 0.000 -8.646 6.901) 11.062 6.791 ( 0.000 8.646 6.901) 11.062 7.587 ( 0.000 -9.371 -9.131) 13.084 7.587 ( 0.000 9.371 -9.131) 13.084 7.738 ( 0.000 -0.915 -2.718) 2.868 7.738 ( 0.000 0.915 -2.718) 2.868 8.014 ( 0.000 -3.722 -6.775) 7.730 8.014 ( 0.000 3.722 -6.775) 7.730 8.329 ( 0.000 -2.389 -6.713) 7.125 8.329 ( 0.000 2.389 -6.713) 7.125 8.703 ( 0.000 -0.951 5.191) 5.277 8.703 ( 0.000 0.951 5.191) 5.277 9.426 ( 0.000 -0.855 -4.758) 4.835 9.426 ( 0.000 0.855 -4.758) 4.835 9.754 ( 0.000 -0.355 -11.873) 11.878 9.754 ( 0.000 0.355 -11.873) 11.878 9.998 ( 0.000 -7.401 6.493) 9.845 9.998 ( 0.000 7.401 6.493) 9.845 10.325 ( 0.000 -3.718 -1.290) 3.936 10.325 ( 0.000 3.718 -1.290) 3.936 10.970 ( 0.000 -3.188 -4.782) 5.747 10.970 ( 0.000 3.188 -4.782) 5.747 11.129 ( 0.000 -0.515 -7.013) 7.032 11.129 ( 0.000 0.515 -7.013) 7.032 11.962 ( 0.000 -23.654 19.129) 30.421 11.962 ( 0.000 23.654 19.129) 30.421 12.344 ( 0.000 -5.702 9.202) 10.826 12.344 ( 0.000 5.702 9.202) 10.826 14.538 ( 0.000 -1.965 5.474) 5.816 14.538 ( 0.000 1.965 5.474) 5.816 14.890 ( 0.000 -2.677 -0.392) 2.705 14.890 ( 0.000 2.677 -0.392) 2.705 15.236 ( 0.000 -0.117 16.112) 16.112 15.236 ( 0.000 0.117 16.112) 16.112 16.004 ( 0.000 -5.780 -1.429) 5.954 16.004 ( 0.000 5.780 -1.429) 5.954 16.982 ( 0.000 -8.796 12.275) 15.101 16.982 ( 0.000 8.796 12.275) 15.101 18.030 ( 0.000 -2.040 -9.852) 10.061 18.030 ( 0.000 2.040 -9.852) 10.061 18.313 ( 0.000 -0.065 3.539) 3.539 18.313 ( 0.000 0.065 3.539) 3.539 18.820 ( 0.000 -0.525 -1.810) 1.885 18.820 ( 0.000 0.525 -1.810) 1.885 21.574 ( 0.000 -0.964 3.305) 3.443 21.574 ( 0.000 0.964 3.305) 3.443 21.853 ( 0.000 -1.528 -0.540) 1.621 21.853 ( 0.000 1.528 -0.540) 1.621 22.673 ( 0.000 -4.699 -6.467) 7.993 22.673 ( 0.000 4.699 -6.467) 7.993 22.761 ( 0.000 -4.983 -7.606) 9.093 22.761 ( 0.000 4.983 -7.606) 9.093 ======================= Grid point 110 (42/90) ======================= q-point: ( 0.11 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( 4.955 -0.000 11.982) 12.966 1.343 ( 9.135 0.000 12.625) 15.583 1.661 ( 10.576 -0.000 9.443) 14.178 1.762 ( 14.856 0.000 11.456) 18.760 2.058 ( 1.767 0.000 16.167) 16.263 2.181 ( 6.476 0.000 12.792) 14.338 2.580 ( 1.546 -0.000 24.214) 24.263 2.613 ( 4.308 0.000 23.901) 24.287 3.093 ( -3.605 0.000 1.186) 3.795 3.207 ( -1.127 -0.000 8.302) 8.378 3.230 ( 0.377 -0.000 12.341) 12.347 3.251 ( 2.961 0.000 1.517) 3.327 3.957 ( -2.088 0.000 -3.308) 3.912 3.990 ( -0.528 -0.000 -2.247) 2.308 4.207 ( -2.371 0.000 -7.081) 7.467 4.291 ( 3.316 0.000 -8.797) 9.401 4.584 ( -4.690 0.000 -5.026) 6.874 4.626 ( -1.564 0.000 -10.200) 10.319 4.749 ( 0.945 -0.000 -4.237) 4.341 4.822 ( 4.705 0.000 -7.773) 9.086 5.198 ( 0.512 0.000 -4.295) 4.325 5.256 ( 1.217 0.000 -4.411) 4.576 5.433 ( 1.522 0.000 1.197) 1.937 5.544 ( -3.251 0.000 2.963) 4.399 5.649 ( -2.808 0.000 -13.191) 13.486 5.715 ( 5.227 -0.000 -13.299) 14.290 6.046 ( -2.534 -0.000 8.325) 8.702 6.060 ( -2.012 0.000 5.079) 5.463 6.314 ( 3.064 0.000 -4.659) 5.577 6.449 ( 7.834 0.000 -1.808) 8.040 6.588 ( -2.732 0.000 10.102) 10.465 6.602 ( -9.396 0.000 0.572) 9.413 6.838 ( 6.816 -0.000 11.935) 13.744 6.957 ( 8.079 0.000 8.068) 11.418 7.443 ( -8.395 -0.000 -8.304) 11.808 7.551 ( -12.732 0.000 -4.860) 13.628 7.721 ( 0.892 0.000 -5.098) 5.175 7.764 ( 1.146 0.000 -2.682) 2.917 7.832 ( -2.497 0.000 -6.832) 7.274 8.113 ( -7.086 0.000 -1.146) 7.178 8.337 ( 6.418 -0.000 -6.975) 9.478 8.341 ( -0.138 0.000 -8.611) 8.612 8.686 ( 1.204 0.000 1.224) 1.717 8.776 ( 3.533 0.000 5.376) 6.433 9.392 ( -2.461 0.000 -4.730) 5.332 9.426 ( -0.935 0.000 -4.861) 4.950 9.704 ( -1.946 0.000 -11.663) 11.824 9.804 ( 2.170 0.000 -10.863) 11.078 9.994 ( -0.628 0.000 4.192) 4.239 10.002 ( 0.565 -0.000 6.896) 6.919 10.339 ( 2.794 0.000 -1.729) 3.286 10.364 ( 2.384 -0.000 -0.110) 2.387 10.902 ( -3.520 0.000 -3.775) 5.162 11.020 ( 1.688 0.000 -5.106) 5.378 11.062 ( -4.114 0.000 -6.508) 7.699 11.158 ( 0.144 0.000 -7.167) 7.168 11.839 ( -10.898 0.000 22.108) 24.648 11.882 ( -8.636 -0.000 22.214) 23.834 12.290 ( -1.140 0.000 8.860) 8.933 12.419 ( 3.389 0.000 8.904) 9.528 14.513 ( -1.421 0.000 4.954) 5.154 14.550 ( 0.133 0.000 6.129) 6.130 14.866 ( -0.701 0.000 -1.277) 1.457 14.934 ( 2.632 0.000 -0.244) 2.643 15.058 ( -8.143 0.000 15.925) 17.886 15.362 ( 2.793 0.000 18.501) 18.710 15.931 ( -4.340 0.000 0.370) 4.355 16.064 ( 1.055 0.000 0.208) 1.075 16.741 ( -9.138 0.000 8.113) 12.220 17.178 ( 7.392 0.000 8.650) 11.378 17.739 ( -15.090 0.000 -8.148) 17.149 18.112 ( -3.396 0.000 -6.117) 6.997 18.335 ( 1.534 0.000 3.756) 4.057 18.357 ( 3.128 0.000 2.568) 4.047 18.762 ( -2.119 0.000 -1.862) 2.820 18.871 ( 1.796 0.000 -2.003) 2.690 21.624 ( 5.818 0.000 1.920) 6.127 21.645 ( 5.676 0.000 2.646) 6.262 21.876 ( 2.360 0.000 -0.762) 2.480 21.879 ( 2.711 0.000 -0.734) 2.809 22.585 ( -6.625 0.000 -8.919) 11.110 22.658 ( -1.867 -0.000 -5.182) 5.508 22.720 ( -0.695 0.000 -4.576) 4.629 22.832 ( 2.044 0.000 -7.854) 8.116 ======================= Grid point 112 (43/90) ======================= q-point: ( 0.22 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( 13.599 0.000 13.426) 19.110 1.538 ( 10.995 0.000 10.710) 15.349 1.871 ( 10.022 -0.000 10.395) 14.439 2.074 ( 15.778 0.000 7.770) 17.587 2.171 ( 9.497 0.000 11.427) 14.858 2.332 ( 8.976 0.000 13.015) 15.810 2.602 ( 0.546 -0.000 18.930) 18.938 2.692 ( 2.770 0.000 22.215) 22.387 3.054 ( -0.084 0.000 1.901) 1.903 3.171 ( -2.325 0.000 6.075) 6.505 3.237 ( 0.208 -0.000 7.435) 7.438 3.289 ( 0.936 0.000 -0.486) 1.055 3.920 ( -1.531 0.000 -2.205) 2.684 3.980 ( -0.411 0.000 -0.761) 0.865 4.164 ( -1.454 0.000 -5.802) 5.981 4.361 ( 3.544 0.000 -9.283) 9.936 4.491 ( -4.420 0.000 -2.724) 5.192 4.615 ( 0.077 0.000 -7.942) 7.942 4.759 ( 0.476 0.000 -4.004) 4.032 4.939 ( 8.076 0.000 -6.416) 10.314 5.242 ( 3.905 -0.000 -6.262) 7.380 5.264 ( -0.493 0.000 -4.515) 4.542 5.436 ( -5.954 0.000 0.759) 6.002 5.470 ( 0.805 0.000 -4.275) 4.350 5.657 ( 4.494 0.000 -10.686) 11.592 5.801 ( 2.333 0.000 -16.037) 16.206 5.955 ( -6.947 -0.000 12.457) 14.263 5.990 ( -5.043 0.000 2.595) 5.672 6.403 ( 3.951 -0.000 -2.779) 4.830 6.449 ( -5.591 0.000 -6.578) 8.633 6.560 ( 0.789 -0.000 -2.128) 2.269 6.605 ( 4.934 0.000 10.591) 11.684 6.912 ( 0.302 -0.000 8.956) 8.961 7.098 ( 6.514 0.000 8.114) 10.405 7.270 ( -9.611 0.000 -5.017) 10.842 7.313 ( -6.863 0.000 -2.112) 7.181 7.728 ( 0.196 0.000 -3.173) 3.179 7.783 ( 0.738 0.000 -1.829) 1.972 7.820 ( -1.490 0.000 -0.774) 1.679 7.889 ( -13.325 0.000 3.005) 13.660 8.353 ( 1.836 0.000 -10.417) 10.577 8.453 ( 4.229 0.000 -7.952) 9.006 8.729 ( 2.659 0.000 -0.969) 2.830 8.818 ( 0.771 0.000 2.392) 2.513 9.338 ( -2.926 0.000 -5.038) 5.826 9.392 ( -2.485 0.000 -5.049) 5.627 9.691 ( 0.620 0.000 -11.163) 11.181 9.836 ( 1.106 0.000 -9.108) 9.175 9.977 ( -0.951 0.000 0.850) 1.275 10.018 ( 0.939 -0.000 6.690) 6.756 10.406 ( 1.988 0.000 1.946) 2.782 10.427 ( 5.926 -0.000 -2.536) 6.446 10.844 ( -2.430 0.000 -2.598) 3.557 10.978 ( -4.357 0.000 -4.461) 6.235 11.030 ( -0.769 0.000 -4.260) 4.329 11.132 ( -2.767 0.000 -7.225) 7.737 11.600 ( -12.480 0.000 26.353) 29.159 11.666 ( -12.647 -0.000 27.699) 30.450 12.299 ( 1.861 0.000 8.364) 8.568 12.470 ( 1.860 0.000 8.372) 8.577 14.486 ( -1.304 0.000 4.642) 4.822 14.540 ( -1.161 0.000 6.670) 6.770 14.865 ( 0.681 0.000 -2.651) 2.737 14.941 ( -3.317 0.000 14.296) 14.676 14.991 ( 2.548 0.000 0.495) 2.596 15.337 ( -4.881 0.000 22.569) 23.091 15.832 ( -5.835 0.000 2.087) 6.197 15.983 ( -8.307 0.000 6.973) 10.846 16.741 ( 8.274 0.000 -5.936) 10.183 17.269 ( 2.380 0.000 4.827) 5.382 17.499 ( -9.603 0.000 -5.368) 11.002 17.975 ( -9.722 0.000 -4.027) 10.523 18.363 ( 1.278 0.000 4.247) 4.435 18.383 ( 0.092 0.000 5.306) 5.307 18.750 ( 0.614 0.000 -3.069) 3.129 18.889 ( 0.172 0.000 -1.804) 1.812 21.761 ( 7.269 -0.000 0.584) 7.292 21.764 ( 6.195 0.000 1.772) 6.444 21.937 ( 3.843 0.000 -1.378) 4.082 21.955 ( 5.076 0.000 -1.396) 5.264 22.465 ( -5.419 0.000 -8.287) 9.901 22.609 ( -3.239 0.000 -5.140) 6.075 22.708 ( -0.674 0.000 -4.134) 4.188 22.833 ( -1.672 0.000 -5.718) 5.957 ======================= Grid point 114 (44/90) ======================= q-point: ( 0.33 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( 12.774 0.000 14.517) 19.337 1.738 ( 8.938 0.000 8.276) 12.181 2.046 ( 8.459 -0.000 12.866) 15.398 2.305 ( 7.313 0.000 0.571) 7.335 2.373 ( 10.168 -0.000 7.022) 12.357 2.473 ( 3.169 0.000 31.082) 31.243 2.633 ( 4.307 0.000 0.244) 4.314 2.703 ( -1.121 0.000 18.598) 18.632 3.079 ( 1.720 0.000 2.412) 2.962 3.126 ( -2.144 0.000 3.502) 4.106 3.238 ( 0.309 0.000 2.467) 2.487 3.292 ( -0.295 0.000 -0.784) 0.838 3.901 ( -0.484 0.000 -0.901) 1.023 3.969 ( -0.940 0.000 0.333) 0.997 4.177 ( 3.080 0.000 -3.151) 4.406 4.405 ( -0.370 0.000 -2.316) 2.346 4.440 ( 0.464 0.000 -6.084) 6.101 4.598 ( -2.314 0.000 -4.423) 4.992 4.808 ( 5.350 0.000 -6.595) 8.492 5.100 ( 5.007 0.000 -9.438) 10.684 5.275 ( 4.764 0.000 -4.106) 6.289 5.312 ( -0.247 0.000 -0.847) 0.883 5.374 ( 3.328 0.000 -6.489) 7.293 5.480 ( 0.285 0.000 -6.562) 6.569 5.689 ( -5.809 0.000 9.039) 10.745 5.817 ( -0.141 -0.000 -16.718) 16.718 5.876 ( -6.370 -0.000 -0.830) 6.423 5.882 ( 4.259 0.000 -7.365) 8.508 6.342 ( -12.042 -0.000 -8.619) 14.809 6.407 ( -3.576 0.000 -3.461) 4.976 6.458 ( -2.565 0.000 -2.095) 3.311 6.731 ( 4.834 0.000 5.354) 7.213 6.937 ( 3.219 0.000 1.750) 3.663 7.076 ( -8.417 0.000 1.468) 8.544 7.222 ( 5.985 0.000 9.806) 11.488 7.308 ( 3.548 0.000 5.003) 6.133 7.646 ( -10.351 0.000 4.974) 11.484 7.719 ( -4.382 0.000 4.515) 6.292 7.759 ( -1.452 0.000 1.581) 2.147 7.801 ( 0.373 0.000 -0.266) 0.458 8.410 ( 3.608 0.000 -11.855) 12.392 8.502 ( 1.189 0.000 -8.676) 8.757 8.772 ( 1.590 0.000 -2.095) 2.630 8.815 ( -0.732 0.000 -0.741) 1.042 9.288 ( -2.029 0.000 -5.475) 5.839 9.337 ( -2.988 0.000 -5.381) 6.155 9.724 ( 2.599 0.000 -11.412) 11.704 9.846 ( -0.075 0.000 -8.798) 8.799 9.964 ( -0.268 0.000 -0.569) 0.629 10.027 ( -0.285 -0.000 5.861) 5.868 10.449 ( 2.869 0.000 4.145) 5.041 10.549 ( 6.224 0.000 -4.290) 7.559 10.795 ( -3.306 0.000 -1.387) 3.585 10.919 ( -0.813 0.000 0.582) 0.999 10.984 ( -4.260 0.000 -1.189) 4.423 11.065 ( -3.596 0.000 -7.381) 8.211 11.398 ( -8.115 -0.000 27.342) 28.521 11.441 ( -9.946 0.000 29.186) 30.834 12.352 ( 3.395 0.000 7.846) 8.549 12.489 ( 0.030 0.000 7.937) 7.937 14.466 ( -0.718 0.000 4.635) 4.690 14.509 ( -1.849 0.000 6.530) 6.787 14.894 ( 2.332 0.000 -3.997) 4.628 14.917 ( 0.706 0.000 15.158) 15.175 15.031 ( 1.098 0.000 -1.570) 1.915 15.208 ( -7.584 0.000 23.494) 24.687 15.725 ( -4.607 0.000 3.893) 6.032 15.828 ( -6.943 0.000 6.350) 9.409 16.957 ( 12.182 0.000 -9.357) 15.361 17.279 ( -1.082 -0.000 2.164) 2.419 17.374 ( -3.243 0.000 -3.699) 4.919 17.770 ( -11.046 0.000 -4.394) 11.888 18.382 ( 0.685 -0.000 4.841) 4.889 18.382 ( 0.088 0.000 6.255) 6.256 18.773 ( 1.650 0.000 -3.156) 3.561 18.879 ( -1.127 0.000 -1.748) 2.080 21.869 ( 4.463 -0.000 1.634) 4.753 21.876 ( 4.511 0.000 0.854) 4.591 22.018 ( 4.477 -0.000 -2.336) 5.050 22.063 ( 5.611 0.000 -2.111) 5.995 22.383 ( -3.031 0.000 -7.578) 8.161 22.534 ( -4.513 0.000 -5.236) 6.912 22.696 ( -0.353 0.000 -3.744) 3.760 22.784 ( -3.048 0.000 -3.892) 4.943 ======================= Grid point 116 (45/90) ======================= q-point: ( 0.44 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( 6.901 0.000 13.188) 14.884 1.848 ( 1.800 0.000 9.341) 9.512 2.201 ( 7.677 0.000 14.751) 16.629 2.328 ( -4.451 0.000 9.495) 10.486 2.506 ( 2.109 0.000 18.169) 18.291 2.514 ( 3.118 0.000 6.438) 7.153 2.689 ( 0.833 -0.000 12.018) 12.047 2.706 ( 1.124 0.000 1.547) 1.912 3.092 ( -0.183 0.000 1.707) 1.717 3.095 ( -0.904 -0.000 2.022) 2.215 3.261 ( 1.698 -0.000 0.393) 1.743 3.285 ( -0.649 0.000 -0.401) 0.762 3.907 ( 1.195 0.000 0.762) 1.417 3.940 ( -1.946 0.000 1.131) 2.251 4.269 ( 5.681 0.000 -0.323) 5.690 4.362 ( -3.538 0.000 1.619) 3.891 4.480 ( 2.699 0.000 -7.619) 8.083 4.539 ( -3.361 0.000 -5.323) 6.295 4.951 ( 8.579 0.000 -8.450) 12.041 5.086 ( -4.429 0.000 -11.922) 12.719 5.290 ( 0.208 0.000 1.721) 1.733 5.343 ( -3.751 0.000 1.673) 4.107 5.501 ( 6.972 -0.000 -8.017) 10.625 5.546 ( 9.625 0.000 1.435) 9.731 5.589 ( -2.915 0.000 -4.056) 4.995 5.726 ( -8.082 0.000 1.001) 8.144 5.852 ( 3.729 0.000 -17.958) 18.341 5.996 ( -3.093 0.000 -14.422) 14.750 6.083 ( -1.077 0.000 -10.750) 10.804 6.266 ( -10.632 -0.000 -10.726) 15.103 6.524 ( 6.844 0.000 3.072) 7.502 6.680 ( -8.261 0.000 5.310) 9.821 6.995 ( 2.075 0.000 0.088) 2.077 7.010 ( 0.072 0.000 2.248) 2.249 7.362 ( 8.549 0.000 13.751) 16.192 7.389 ( 4.345 0.000 7.296) 8.492 7.495 ( -5.496 0.000 6.181) 8.271 7.561 ( -9.747 -0.000 12.362) 15.742 7.777 ( 1.485 0.000 0.169) 1.494 7.799 ( -0.671 0.000 0.490) 0.831 8.474 ( 2.700 0.000 -11.331) 11.648 8.506 ( -0.683 0.000 -9.890) 9.914 8.790 ( 0.545 0.000 -2.722) 2.776 8.800 ( -0.641 -0.000 -2.434) 2.517 9.267 ( -0.052 0.000 -5.696) 5.696 9.287 ( -2.019 0.000 -5.664) 6.013 9.780 ( 3.004 0.000 -12.071) 12.439 9.829 ( -1.820 -0.000 -11.245) 11.391 9.972 ( 1.231 0.000 2.000) 2.348 10.005 ( -1.806 0.000 4.355) 4.714 10.525 ( 4.938 0.000 3.376) 5.981 10.612 ( -2.025 0.000 -3.978) 4.463 10.764 ( 2.994 0.000 3.474) 4.586 10.873 ( -6.608 0.000 0.655) 6.641 10.946 ( 2.770 0.000 0.468) 2.810 11.003 ( -2.999 0.000 -3.813) 4.851 11.295 ( -2.560 -0.000 26.109) 26.234 11.306 ( -3.842 0.000 26.745) 27.020 12.419 ( 3.293 0.000 7.587) 8.271 12.470 ( -1.915 0.000 7.655) 7.890 14.461 ( 0.263 0.000 5.018) 5.025 14.477 ( -1.342 0.000 5.766) 5.920 14.950 ( 3.160 0.000 -4.254) 5.299 14.958 ( 3.018 0.000 13.956) 14.279 15.025 ( -1.342 0.000 -0.255) 1.366 15.072 ( -6.026 0.000 20.441) 21.310 15.678 ( 0.026 0.000 5.431) 5.432 15.721 ( -4.105 0.000 5.892) 7.181 17.153 ( 7.067 0.000 -5.022) 8.670 17.239 ( -2.946 0.000 -0.131) 2.949 17.391 ( 5.572 0.000 -5.321) 7.704 17.560 ( -10.592 0.000 -6.159) 12.253 18.386 ( 0.259 0.000 6.035) 6.041 18.389 ( 0.060 0.000 5.472) 5.472 18.810 ( 2.075 0.000 -2.609) 3.334 18.849 ( -1.922 0.000 -2.042) 2.804 21.929 ( 1.659 -0.000 1.658) 2.345 21.932 ( 1.331 0.000 1.382) 1.919 22.101 ( 3.741 0.000 -3.110) 4.865 22.136 ( 0.990 0.000 -2.768) 2.940 22.365 ( 1.735 0.000 -6.436) 6.666 22.439 ( -5.068 0.000 -5.401) 7.406 22.700 ( 0.813 0.000 -3.352) 3.449 22.730 ( -2.318 0.000 -3.215) 3.964 ======================= Grid point 135 (46/90) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( 0.000 0.000 21.322) 21.322 1.853 ( 0.000 0.000 32.196) 32.196 2.033 ( 0.000 0.000 18.242) 18.242 2.076 ( 0.000 0.000 9.804) 9.804 2.171 ( 0.000 0.000 -0.234) 0.234 2.393 ( 0.000 0.000 7.489) 7.489 2.923 ( 0.000 0.000 10.795) 10.795 2.989 ( 0.000 0.000 2.986) 2.986 3.038 ( 0.000 0.000 2.520) 2.520 3.123 ( 0.000 0.000 6.202) 6.202 3.242 ( 0.000 0.000 -9.314) 9.314 3.306 ( 0.000 0.000 23.912) 23.912 3.906 ( 0.000 0.000 -0.740) 0.740 4.006 ( 0.000 0.000 -5.243) 5.243 4.036 ( 0.000 0.000 -4.186) 4.186 4.137 ( 0.000 0.000 -5.947) 5.947 4.356 ( 0.000 0.000 -5.223) 5.223 4.563 ( 0.000 0.000 -2.389) 2.389 4.769 ( 0.000 0.000 -18.709) 18.709 4.795 ( 0.000 0.000 1.476) 1.476 5.012 ( 0.000 0.000 -0.648) 0.648 5.181 ( 0.000 0.000 -3.443) 3.443 5.215 ( 0.000 0.000 -5.012) 5.012 5.570 ( 0.000 0.000 -7.722) 7.722 5.694 ( 0.000 0.000 0.502) 0.502 6.128 ( 0.000 0.000 4.537) 4.537 6.159 ( 0.000 0.000 -0.730) 0.730 6.209 ( 0.000 0.000 17.869) 17.869 6.258 ( 0.000 0.000 6.198) 6.198 6.259 ( 0.000 0.000 -3.862) 3.862 6.268 ( 0.000 0.000 7.725) 7.725 6.833 ( 0.000 0.000 12.455) 12.455 6.963 ( 0.000 0.000 5.652) 5.652 7.171 ( 0.000 0.000 6.883) 6.883 7.290 ( 0.000 0.000 1.877) 1.877 7.583 ( 0.000 0.000 -7.152) 7.152 7.672 ( 0.000 0.000 -8.241) 8.241 7.709 ( 0.000 0.000 -10.528) 10.528 7.713 ( 0.000 0.000 -6.231) 6.231 7.835 ( 0.000 0.000 -11.171) 11.171 8.245 ( 0.000 0.000 -6.679) 6.679 8.390 ( 0.000 0.000 2.582) 2.582 8.592 ( 0.000 0.000 0.115) 0.115 8.800 ( 0.000 0.000 3.066) 3.066 9.199 ( 0.000 0.000 -16.954) 16.954 9.447 ( 0.000 0.000 -4.203) 4.203 9.458 ( 0.000 0.000 -15.044) 15.044 9.539 ( 0.000 0.000 -16.659) 16.659 9.971 ( 0.000 0.000 10.218) 10.218 10.166 ( 0.000 0.000 2.729) 2.729 10.287 ( 0.000 0.000 4.581) 4.581 10.447 ( 0.000 0.000 -1.248) 1.248 10.910 ( 0.000 0.000 -7.990) 7.990 10.922 ( 0.000 0.000 -0.669) 0.669 10.949 ( 0.000 0.000 -4.055) 4.055 10.985 ( 0.000 0.000 -2.584) 2.584 11.786 ( 0.000 0.000 15.426) 15.426 12.317 ( 0.000 0.000 2.622) 2.622 12.570 ( 0.000 0.000 6.065) 6.065 12.870 ( 0.000 0.000 -1.715) 1.715 14.654 ( 0.000 0.000 0.445) 0.445 14.749 ( 0.000 0.000 6.655) 6.655 14.765 ( 0.000 0.000 -0.905) 0.905 14.952 ( 0.000 0.000 -0.098) 0.098 15.468 ( 0.000 0.000 3.505) 3.505 15.591 ( 0.000 0.000 0.460) 0.460 15.612 ( 0.000 0.000 14.573) 14.573 16.147 ( 0.000 0.000 0.227) 0.227 16.908 ( 0.000 0.000 11.086) 11.086 17.431 ( 0.000 0.000 9.209) 9.209 17.767 ( 0.000 0.000 -10.558) 10.558 18.168 ( 0.000 0.000 -4.547) 4.547 18.403 ( 0.000 0.000 4.534) 4.534 18.471 ( 0.000 0.000 -2.246) 2.246 18.688 ( 0.000 0.000 -3.490) 3.490 18.790 ( 0.000 0.000 -3.796) 3.796 21.607 ( 0.000 0.000 3.384) 3.384 21.688 ( 0.000 0.000 5.132) 5.132 21.796 ( 0.000 0.000 -1.486) 1.486 22.074 ( 0.000 0.000 5.020) 5.020 22.122 ( 0.000 0.000 -5.012) 5.012 22.561 ( 0.000 0.000 -5.772) 5.772 22.670 ( 0.000 0.000 -4.528) 4.528 22.729 ( 0.000 0.000 -6.409) 6.409 ======================= Grid point 136 (47/90) ======================= q-point: ( 0.11 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( 18.999 0.000 16.935) 25.451 1.872 ( 1.667 0.000 28.527) 28.576 2.017 ( -4.589 0.000 10.063) 11.060 2.039 ( 2.594 0.000 14.052) 14.290 2.260 ( 7.017 0.000 6.469) 9.544 2.427 ( 3.512 0.000 5.754) 6.741 2.917 ( 0.076 0.000 11.062) 11.062 3.035 ( 1.490 0.000 -2.473) 2.887 3.054 ( 3.218 0.000 9.084) 9.638 3.134 ( 1.219 0.000 5.603) 5.734 3.237 ( -0.383 0.000 -8.011) 8.020 3.303 ( -0.345 0.000 19.982) 19.984 3.888 ( -1.608 0.000 -0.996) 1.891 4.007 ( 0.036 0.000 -4.566) 4.566 4.028 ( -0.714 0.000 -3.754) 3.821 4.168 ( 3.042 0.000 -5.312) 6.122 4.356 ( 0.111 0.000 -4.773) 4.775 4.561 ( -0.091 0.000 -4.076) 4.077 4.776 ( -1.510 0.000 1.017) 1.820 4.787 ( 1.776 0.000 -18.397) 18.483 5.037 ( 1.829 0.000 2.542) 3.132 5.212 ( 0.678 0.000 -5.969) 6.007 5.216 ( 3.473 0.000 -2.697) 4.397 5.586 ( 0.866 0.000 -11.514) 11.547 5.607 ( -7.963 0.000 -0.719) 7.995 5.963 ( -13.813 0.000 10.473) 17.334 6.092 ( -6.435 0.000 10.634) 12.429 6.152 ( 2.537 0.000 4.653) 5.300 6.216 ( 3.166 0.000 -2.077) 3.786 6.418 ( 9.049 0.000 0.679) 9.074 6.467 ( 4.414 0.000 4.377) 6.216 6.786 ( -1.389 0.000 12.867) 12.942 6.930 ( -2.955 0.000 4.938) 5.755 7.243 ( 5.486 0.000 6.937) 8.844 7.262 ( -2.277 0.000 2.168) 3.144 7.426 ( -14.782 0.000 -7.308) 16.490 7.599 ( 1.395 0.000 -7.605) 7.732 7.693 ( 2.060 0.000 -6.478) 6.797 7.839 ( 0.092 0.000 -10.053) 10.054 7.896 ( 4.882 0.000 -6.269) 7.946 8.226 ( -1.435 0.000 -4.700) 4.915 8.418 ( 3.408 0.000 1.809) 3.858 8.590 ( -0.328 0.000 -0.172) 0.370 8.795 ( -0.544 0.000 1.437) 1.536 9.176 ( -2.209 0.000 -16.883) 17.027 9.409 ( -3.815 0.000 -4.435) 5.850 9.466 ( 0.916 0.000 -14.068) 14.098 9.541 ( 0.229 0.000 -16.590) 16.592 9.984 ( 1.355 0.000 9.778) 9.872 10.179 ( 1.407 0.000 2.712) 3.055 10.300 ( 1.218 0.000 4.325) 4.493 10.464 ( 1.524 0.000 -1.753) 2.323 10.877 ( -3.004 0.000 -1.502) 3.358 10.889 ( -1.667 0.000 -6.215) 6.435 10.976 ( 1.186 0.000 -3.328) 3.533 10.991 ( 0.197 0.000 -3.792) 3.797 11.757 ( -2.727 0.000 17.197) 17.412 12.327 ( 1.087 0.000 2.663) 2.877 12.573 ( 0.313 0.000 5.625) 5.634 12.782 ( -8.911 0.000 1.648) 9.062 14.622 ( -2.627 0.000 1.636) 3.095 14.762 ( 0.619 0.000 6.342) 6.372 14.765 ( 0.006 0.000 -1.192) 1.192 14.960 ( 0.748 0.000 -0.075) 0.751 15.351 ( -7.063 0.000 11.810) 13.761 15.594 ( 0.317 0.000 0.841) 0.899 15.746 ( 8.277 0.000 7.766) 11.350 16.120 ( -2.684 0.000 0.303) 2.701 16.825 ( -7.413 0.000 11.442) 13.633 17.416 ( -1.617 0.000 8.102) 8.262 17.715 ( -4.992 0.000 -8.889) 10.195 18.048 ( -10.737 0.000 -3.089) 11.173 18.422 ( 1.533 0.000 4.552) 4.803 18.467 ( -0.232 0.000 0.361) 0.429 18.680 ( -0.415 0.000 -3.617) 3.641 18.809 ( 1.462 0.000 -3.822) 4.092 21.673 ( 6.139 0.000 0.838) 6.196 21.712 ( 2.396 0.000 4.687) 5.264 21.819 ( 2.331 0.000 -1.298) 2.668 22.078 ( 0.419 0.000 4.930) 4.947 22.142 ( 1.893 0.000 -5.844) 6.142 22.560 ( -0.100 0.000 -5.721) 5.722 22.647 ( -2.354 0.000 -4.322) 4.921 22.730 ( 0.019 0.000 -6.438) 6.438 ======================= Grid point 137 (48/90) ======================= q-point: ( 0.22 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.856 ( 18.741 0.000 11.045) 21.754 1.920 ( 3.655 0.000 20.541) 20.864 1.958 ( -0.619 0.000 8.968) 8.989 2.132 ( 5.742 0.000 15.108) 16.163 2.397 ( 7.063 0.000 9.324) 11.697 2.519 ( 5.472 0.000 1.980) 5.820 2.936 ( 1.970 0.000 11.572) 11.738 3.064 ( 2.297 0.000 1.531) 2.761 3.112 ( 2.010 0.000 7.494) 7.759 3.170 ( 2.460 0.000 4.628) 5.241 3.236 ( 0.545 0.000 -4.676) 4.707 3.289 ( -1.059 0.000 12.802) 12.846 3.856 ( -1.435 0.000 -0.715) 1.603 4.001 ( -0.832 0.000 -3.205) 3.311 4.018 ( 0.159 0.000 -3.356) 3.359 4.242 ( 4.237 0.000 -4.136) 5.922 4.368 ( 1.369 0.000 -3.657) 3.905 4.570 ( 1.404 0.000 -8.240) 8.359 4.745 ( -2.035 0.000 0.169) 2.041 4.833 ( 2.932 0.000 -15.771) 16.041 5.065 ( 1.646 0.000 5.307) 5.556 5.277 ( 6.081 0.000 -5.524) 8.215 5.291 ( 2.666 0.000 -3.634) 4.507 5.448 ( -6.285 0.000 -1.110) 6.382 5.576 ( -1.871 0.000 -17.185) 17.286 5.727 ( -10.587 0.000 12.518) 16.394 5.946 ( -9.155 0.000 7.958) 12.130 6.208 ( 1.859 0.000 2.045) 2.764 6.244 ( -4.259 0.000 -1.889) 4.659 6.431 ( -3.295 0.000 2.613) 4.205 6.545 ( 3.805 0.000 -4.011) 5.528 6.789 ( -1.794 0.000 6.684) 6.921 6.869 ( -3.041 0.000 3.243) 4.446 7.210 ( -3.288 0.000 0.764) 3.376 7.242 ( 1.265 0.000 4.748) 4.914 7.361 ( 4.786 0.000 5.480) 7.276 7.631 ( 1.974 0.000 -7.576) 7.829 7.741 ( 2.523 0.000 -3.190) 4.068 7.820 ( -2.361 0.000 -5.268) 5.773 7.895 ( -4.044 0.000 -1.212) 4.222 8.222 ( 1.695 0.000 -2.117) 2.712 8.522 ( 6.649 0.000 -0.594) 6.675 8.574 ( -1.319 0.000 -1.120) 1.730 8.780 ( -0.947 0.000 -1.134) 1.477 9.122 ( -3.243 0.000 -16.240) 16.560 9.309 ( -6.228 0.000 -5.404) 8.245 9.490 ( 1.422 0.000 -12.361) 12.443 9.546 ( 0.226 0.000 -16.697) 16.698 10.023 ( 2.626 0.000 8.728) 9.115 10.219 ( 2.649 0.000 2.337) 3.533 10.323 ( 0.840 0.000 3.536) 3.634 10.490 ( 0.760 0.000 -2.693) 2.798 10.825 ( -2.094 0.000 -0.474) 2.147 10.861 ( -0.997 0.000 -4.016) 4.138 10.983 ( -1.082 0.000 -4.311) 4.445 10.983 ( -0.437 0.000 -4.124) 4.147 11.702 ( -2.387 0.000 21.410) 21.543 12.360 ( 2.310 0.000 2.614) 3.488 12.550 ( -14.468 0.000 9.479) 17.296 12.577 ( -0.029 0.000 4.544) 4.544 14.574 ( -2.053 0.000 2.949) 3.594 14.752 ( -1.882 0.000 7.067) 7.314 14.769 ( 0.635 0.000 -1.779) 1.889 14.972 ( 0.230 0.000 -0.264) 0.350 15.253 ( -2.706 0.000 15.562) 15.795 15.607 ( 1.247 0.000 1.747) 2.147 15.829 ( -1.332 0.000 12.004) 12.078 16.050 ( -4.476 0.000 0.769) 4.542 16.720 ( -0.594 0.000 6.092) 6.121 17.370 ( -3.006 0.000 4.822) 5.683 17.599 ( -6.565 0.000 -4.772) 8.116 17.816 ( -12.533 0.000 -1.799) 12.661 18.452 ( 1.484 0.000 4.495) 4.733 18.467 ( 0.259 0.000 2.866) 2.877 18.682 ( 0.721 0.000 -3.739) 3.808 18.831 ( 0.609 0.000 -3.757) 3.806 21.772 ( 3.641 0.000 3.775) 5.244 21.813 ( 7.885 0.000 -2.495) 8.270 21.878 ( 3.407 0.000 -0.759) 3.490 22.094 ( 1.373 0.000 4.449) 4.656 22.181 ( 1.760 0.000 -6.964) 7.183 22.559 ( 0.090 0.000 -5.566) 5.566 22.582 ( -4.385 0.000 -3.705) 5.741 22.722 ( -0.973 0.000 -6.336) 6.410 ======================= Grid point 138 (49/90) ======================= q-point: ( 0.33 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.996 ( 4.124 0.000 6.230) 7.471 2.012 ( 5.599 0.000 16.158) 17.101 2.111 ( 7.202 0.000 8.157) 10.882 2.213 ( 2.019 0.000 14.804) 14.941 2.531 ( 6.683 0.000 6.691) 9.457 2.616 ( 4.217 0.000 -0.268) 4.226 2.985 ( 2.727 0.000 12.684) 12.974 3.096 ( -0.183 0.000 -0.076) 0.198 3.159 ( 3.727 0.000 9.921) 10.598 3.221 ( 2.681 0.000 3.350) 4.291 3.259 ( 1.510 0.000 -0.519) 1.597 3.268 ( -1.070 0.000 9.154) 9.217 3.841 ( 0.009 0.000 0.624) 0.624 3.972 ( -2.240 0.000 -1.403) 2.643 4.060 ( 4.811 0.000 -3.971) 6.238 4.312 ( 2.421 0.000 -4.564) 5.166 4.417 ( 3.838 0.000 -2.522) 4.592 4.625 ( 4.383 0.000 -11.784) 12.573 4.687 ( -3.877 0.000 0.670) 3.935 4.895 ( 2.779 0.000 -12.858) 13.155 5.124 ( 4.404 0.000 2.943) 5.296 5.235 ( -4.541 0.000 -2.402) 5.137 5.422 ( 7.630 0.000 -4.200) 8.710 5.473 ( 5.841 0.000 -3.164) 6.643 5.539 ( -7.304 0.000 -1.526) 7.461 5.559 ( 0.193 0.000 -3.706) 3.711 5.746 ( -10.880 0.000 2.870) 11.252 6.047 ( -13.508 0.000 -0.447) 13.515 6.149 ( -8.879 0.000 -5.165) 10.272 6.286 ( -13.856 0.000 -4.158) 14.466 6.609 ( 4.256 0.000 -4.681) 6.327 6.821 ( -2.081 0.000 1.538) 2.587 6.822 ( 7.784 0.000 5.470) 9.514 7.226 ( 1.272 0.000 6.487) 6.610 7.321 ( 6.292 0.000 8.044) 10.212 7.444 ( 4.130 0.000 4.908) 6.414 7.671 ( 1.159 0.000 -5.555) 5.675 7.737 ( -3.022 0.000 2.513) 3.930 7.779 ( -7.178 0.000 2.192) 7.505 7.796 ( 1.000 0.000 -2.410) 2.610 8.290 ( 4.868 0.000 -1.455) 5.081 8.538 ( -2.458 0.000 -1.896) 3.104 8.642 ( 5.269 0.000 -1.551) 5.493 8.764 ( -0.677 0.000 -2.084) 2.192 9.062 ( -2.602 0.000 -14.952) 15.177 9.183 ( -6.475 0.000 -7.484) 9.896 9.515 ( 1.059 0.000 -12.259) 12.305 9.551 ( 0.235 0.000 -16.441) 16.443 10.085 ( 3.848 0.000 7.347) 8.294 10.280 ( 3.744 0.000 1.334) 3.974 10.317 ( -1.726 0.000 2.820) 3.307 10.484 ( -1.472 0.000 -2.915) 3.265 10.808 ( 0.455 0.000 1.138) 1.225 10.855 ( 0.313 0.000 -2.611) 2.629 10.951 ( -2.131 0.000 -3.717) 4.284 10.957 ( -2.259 0.000 -4.027) 4.617 11.692 ( 1.904 0.000 24.725) 24.798 12.256 ( -15.301 0.000 17.013) 22.881 12.414 ( 3.242 0.000 2.365) 4.013 12.567 ( -1.078 0.000 3.342) 3.512 14.550 ( -0.297 0.000 4.126) 4.137 14.693 ( -3.936 0.000 7.531) 8.497 14.793 ( 1.931 0.000 -2.226) 2.947 14.960 ( -1.686 0.000 -0.922) 1.922 15.253 ( 2.610 0.000 17.095) 17.293 15.648 ( 3.161 0.000 2.647) 4.123 15.703 ( -9.983 0.000 19.569) 21.968 15.953 ( -5.532 0.000 1.789) 5.814 16.829 ( 10.446 0.000 -2.775) 10.808 17.317 ( -1.906 0.000 1.416) 2.375 17.477 ( -5.979 0.000 -1.146) 6.087 17.575 ( -12.655 0.000 -3.102) 13.030 18.475 ( 0.650 0.000 3.720) 3.776 18.476 ( 0.794 0.000 4.622) 4.689 18.708 ( 1.945 0.000 -3.633) 4.121 18.828 ( -0.916 0.000 -3.555) 3.672 21.844 ( 3.601 0.000 3.075) 4.735 21.932 ( 1.751 0.000 0.531) 1.829 21.962 ( 7.396 0.000 -4.376) 8.593 22.141 ( 3.835 0.000 2.758) 4.723 22.199 ( -0.086 0.000 -7.076) 7.076 22.482 ( -5.842 0.000 -2.701) 6.436 22.567 ( 0.837 0.000 -5.357) 5.422 22.691 ( -2.237 0.000 -5.926) 6.334 ======================= Grid point 139 (50/90) ======================= q-point: ( 0.44 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( 4.871 0.000 5.045) 7.013 2.121 ( 5.373 0.000 14.266) 15.244 2.157 ( -1.414 0.000 6.067) 6.229 2.203 ( -2.780 0.000 13.993) 14.267 2.637 ( 3.808 0.000 2.758) 4.702 2.667 ( 0.717 0.000 0.070) 0.721 3.033 ( 2.290 0.000 10.730) 10.971 3.073 ( -1.812 0.000 5.919) 6.190 3.219 ( 2.108 0.000 7.446) 7.738 3.248 ( -1.122 0.000 8.285) 8.360 3.266 ( 1.690 0.000 2.386) 2.923 3.279 ( 0.320 0.000 1.664) 1.695 3.861 ( 2.192 0.000 1.600) 2.714 3.917 ( -3.231 0.000 0.622) 3.290 4.193 ( 7.777 0.000 -5.166) 9.336 4.308 ( -3.295 0.000 -5.769) 6.644 4.510 ( 5.474 0.000 -0.852) 5.540 4.607 ( -4.408 0.000 0.867) 4.493 4.737 ( 7.003 0.000 -12.555) 14.376 4.871 ( -5.705 0.000 -12.244) 13.508 5.222 ( 5.842 0.000 0.359) 5.853 5.263 ( 7.917 0.000 0.412) 7.928 5.361 ( -8.559 0.000 1.748) 8.736 5.462 ( -10.281 0.000 3.401) 10.829 5.559 ( 8.165 0.000 -7.659) 11.195 5.689 ( 8.601 0.000 -10.334) 13.445 5.710 ( 11.328 0.000 -3.214) 11.775 5.780 ( -12.461 0.000 -1.962) 12.614 5.916 ( -13.431 0.000 -10.516) 17.058 5.987 ( -15.539 0.000 -3.144) 15.854 6.703 ( 4.748 0.000 -2.268) 5.262 6.776 ( -2.885 0.000 -0.348) 2.906 7.017 ( 10.650 0.000 5.933) 12.191 7.185 ( -5.921 0.000 6.674) 8.922 7.457 ( 7.428 0.000 8.414) 11.224 7.532 ( 5.145 0.000 4.437) 6.794 7.595 ( -6.702 0.000 5.854) 8.899 7.644 ( -6.537 0.000 3.786) 7.554 7.758 ( 2.884 0.000 -2.442) 3.779 7.799 ( -1.059 0.000 -1.890) 2.167 8.391 ( 5.191 0.000 -1.100) 5.306 8.478 ( -3.830 0.000 -1.525) 4.123 8.717 ( 2.664 0.000 -1.617) 3.116 8.750 ( -0.955 0.000 -1.784) 2.023 9.036 ( 0.184 0.000 -13.216) 13.218 9.077 ( -4.114 0.000 -10.499) 11.276 9.534 ( 0.962 0.000 -13.870) 13.903 9.549 ( -0.494 0.000 -15.222) 15.230 10.169 ( 4.735 0.000 5.540) 7.288 10.258 ( -4.220 0.000 3.633) 5.568 10.359 ( 4.248 0.000 -0.181) 4.252 10.435 ( -3.462 0.000 -1.854) 3.927 10.840 ( 2.736 0.000 0.887) 2.876 10.872 ( 1.430 0.000 -2.344) 2.746 10.902 ( -3.317 0.000 -1.616) 3.690 10.907 ( -2.191 0.000 -2.857) 3.600 11.785 ( 7.793 0.000 24.556) 25.763 11.984 ( -12.623 0.000 21.877) 25.258 12.478 ( 3.282 0.000 2.206) 3.954 12.534 ( -2.384 0.000 2.493) 3.450 14.565 ( 1.804 0.000 5.381) 5.676 14.617 ( -3.565 0.000 6.716) 7.604 14.844 ( 3.224 0.000 -2.247) 3.930 14.909 ( -3.318 0.000 -1.748) 3.750 15.345 ( 6.719 0.000 18.847) 20.009 15.505 ( -9.730 0.000 20.511) 22.702 15.730 ( 5.211 0.000 3.073) 6.049 15.840 ( -6.016 0.000 2.770) 6.623 17.067 ( 13.445 0.000 -5.564) 14.550 17.312 ( 1.579 0.000 0.142) 1.585 17.326 ( -13.304 0.000 -4.955) 14.196 17.374 ( -4.533 0.000 0.003) 4.533 18.484 ( 0.371 0.000 4.226) 4.242 18.487 ( 0.181 0.000 4.459) 4.463 18.752 ( 2.497 0.000 -3.449) 4.258 18.798 ( -2.111 0.000 -3.407) 4.008 21.905 ( 2.598 0.000 2.632) 3.698 21.939 ( -0.857 0.000 1.967) 2.146 22.089 ( 5.607 0.000 -5.605) 7.928 22.171 ( -2.881 0.000 -6.507) 7.117 22.239 ( 6.050 0.000 0.425) 6.065 22.362 ( -6.516 0.000 -1.345) 6.653 22.595 ( 2.022 0.000 -5.245) 5.621 22.642 ( -2.698 0.000 -5.444) 6.076 ======================= Grid point 144 (51/90) ======================= q-point: ( 0.00 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( 0.000 5.007 20.242) 20.852 1.693 ( 0.000 -11.964 22.036) 25.074 1.884 ( 0.000 -5.084 21.316) 21.914 2.034 ( 0.000 -10.556 5.869) 12.078 2.266 ( 0.000 7.218 14.647) 16.329 2.382 ( 0.000 -0.934 9.597) 9.643 2.920 ( 0.000 -0.309 10.922) 10.927 2.922 ( 0.000 -2.721 8.795) 9.207 3.100 ( 0.000 3.494 -2.769) 4.458 3.126 ( 0.000 0.345 1.229) 1.277 3.300 ( 0.000 5.514 -4.792) 7.305 3.406 ( 0.000 5.037 14.522) 15.371 3.913 ( 0.000 0.722 -1.240) 1.435 3.971 ( 0.000 -1.885 -2.435) 3.080 4.067 ( 0.000 1.587 -7.027) 7.204 4.125 ( 0.000 -1.051 -6.468) 6.553 4.399 ( 0.000 3.782 -6.734) 7.723 4.547 ( 0.000 -1.784 -4.520) 4.860 4.740 ( 0.000 0.031 -3.119) 3.119 4.796 ( 0.000 0.085 3.801) 3.802 5.114 ( 0.000 5.996 -1.571) 6.198 5.173 ( 0.000 2.861 -13.137) 13.445 5.339 ( 0.000 9.791 0.099) 9.792 5.450 ( 0.000 -11.083 4.019) 11.789 5.585 ( 0.000 -9.563 -10.890) 14.493 5.834 ( 0.000 -15.222 9.722) 18.062 6.130 ( 0.000 0.215 3.148) 3.155 6.195 ( 0.000 -3.033 1.842) 3.549 6.235 ( 0.000 4.053 -0.294) 4.064 6.314 ( 0.000 1.246 2.021) 2.374 6.643 ( 0.000 18.711 11.667) 22.050 6.846 ( 0.000 1.435 11.638) 11.726 6.935 ( 0.000 -2.440 7.478) 7.866 7.139 ( 0.000 -4.025 7.617) 8.615 7.313 ( 0.000 2.523 -2.565) 3.597 7.516 ( 0.000 -5.741 -11.672) 13.007 7.660 ( 0.000 -0.261 -8.697) 8.701 7.671 ( 0.000 -1.065 -5.325) 5.430 7.771 ( 0.000 4.621 -5.066) 6.856 7.909 ( 0.000 2.904 -10.109) 10.518 8.245 ( 0.000 -0.161 -5.151) 5.153 8.288 ( 0.000 -5.671 0.326) 5.681 8.697 ( 0.000 6.558 2.790) 7.127 8.803 ( 0.000 0.219 2.338) 2.348 9.179 ( 0.000 -1.313 -18.240) 18.288 9.309 ( 0.000 -7.263 -11.143) 13.301 9.537 ( 0.000 2.135 -9.766) 9.996 9.542 ( 0.000 0.386 -14.043) 14.048 10.021 ( 0.000 4.503 9.269) 10.305 10.197 ( 0.000 1.748 2.798) 3.300 10.254 ( 0.000 -1.940 4.523) 4.921 10.405 ( 0.000 -3.792 -0.742) 3.864 10.894 ( 0.000 -0.775 -5.780) 5.832 10.899 ( 0.000 -1.178 -1.224) 1.698 10.981 ( 0.000 2.099 -5.568) 5.951 11.011 ( 0.000 1.264 -4.252) 4.436 11.910 ( 0.000 11.834 14.756) 18.915 12.357 ( 0.000 3.775 2.952) 4.793 12.509 ( 0.000 -6.317 5.970) 8.692 12.701 ( 0.000 -14.392 1.902) 14.517 14.620 ( 0.000 -0.711 3.566) 3.636 14.719 ( 0.000 -2.752 6.695) 7.239 14.822 ( 0.000 3.531 -0.648) 3.590 14.934 ( 0.000 -1.672 -0.036) 1.672 15.448 ( 0.000 0.305 7.097) 7.104 15.570 ( 0.000 -3.631 13.287) 13.774 15.739 ( 0.000 10.627 -3.478) 11.182 16.096 ( 0.000 -4.895 -1.427) 5.099 17.008 ( 0.000 8.969 12.186) 15.131 17.386 ( 0.000 -4.726 10.164) 11.209 17.782 ( 0.000 1.738 -9.719) 9.873 18.059 ( 0.000 -9.990 -5.969) 11.637 18.398 ( 0.000 -0.457 4.514) 4.537 18.409 ( 0.000 -2.717 2.690) 3.824 18.726 ( 0.000 2.261 -4.230) 4.797 18.783 ( 0.000 -0.688 -3.859) 3.920 21.618 ( 0.000 1.038 3.573) 3.720 21.676 ( 0.000 -1.149 4.798) 4.934 21.807 ( 0.000 1.122 -1.246) 1.676 21.925 ( 0.000 -5.730 0.986) 5.815 22.349 ( 0.000 12.062 -4.076) 12.732 22.582 ( 0.000 1.902 -5.621) 5.934 22.643 ( 0.000 -2.627 -4.678) 5.365 22.704 ( 0.000 -2.472 -6.538) 6.989 ======================= Grid point 145 (52/90) ======================= q-point: ( 0.11 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( 13.981 -0.609 17.830) 22.666 1.710 ( 2.915 -8.495 17.550) 19.715 1.927 ( 5.036 -3.309 22.485) 23.278 2.121 ( 6.071 -6.687 6.143) 10.922 2.259 ( 1.181 6.305 13.864) 15.277 2.409 ( 2.815 -1.334 8.374) 8.935 2.924 ( 0.345 0.242 9.797) 9.806 2.971 ( 4.077 -3.183 8.842) 10.244 3.078 ( -0.100 0.364 0.461) 0.596 3.172 ( 2.554 3.179 -0.161) 4.081 3.280 ( -1.742 4.090 -4.254) 6.153 3.394 ( -1.373 5.444 13.362) 14.493 3.894 ( -1.620 0.519 -1.536) 2.292 3.972 ( 0.100 -1.559 -1.898) 2.458 4.055 ( -1.003 0.942 -6.818) 6.956 4.156 ( 2.944 -1.099 -6.312) 7.051 4.394 ( -0.352 3.341 -6.091) 6.956 4.530 ( -1.356 -2.397 -4.403) 5.193 4.759 ( 1.959 1.477 -2.762) 3.694 4.799 ( 0.001 -0.727 1.212) 1.414 5.135 ( 0.931 6.467 -2.306) 6.929 5.188 ( 1.939 1.676 -10.507) 10.815 5.332 ( 0.714 7.977 0.229) 8.012 5.470 ( 0.418 -12.207 6.934) 14.046 5.539 ( -3.298 -6.314 -14.442) 16.103 5.729 ( -8.487 -9.036 5.783) 13.680 6.129 ( -0.368 -0.433 1.871) 1.955 6.196 ( -4.800 0.417 6.923) 8.435 6.244 ( 4.323 -1.189 -0.165) 4.487 6.406 ( 8.552 3.238 -0.733) 9.174 6.621 ( -6.494 9.201 8.211) 13.937 6.787 ( -0.974 0.143 11.503) 11.545 6.953 ( 1.278 3.031 6.804) 7.557 7.220 ( 5.999 -2.720 7.106) 9.689 7.272 ( -3.081 0.989 -0.870) 3.351 7.424 ( -12.799 -0.485 -8.620) 15.439 7.603 ( 0.072 0.475 -6.891) 6.908 7.683 ( 2.226 -0.639 -6.815) 7.198 7.750 ( 1.269 -3.956 -7.091) 8.219 7.999 ( 1.047 4.862 -6.252) 7.989 8.231 ( -0.682 0.451 -3.591) 3.683 8.316 ( 3.542 -6.020 -0.460) 7.000 8.680 ( -0.967 5.197 2.614) 5.897 8.815 ( 0.493 1.666 0.419) 1.787 9.163 ( -1.571 -0.706 -17.639) 17.723 9.301 ( -1.141 -6.684 -9.975) 12.061 9.504 ( -1.614 0.691 -10.437) 10.584 9.563 ( 0.713 1.686 -14.488) 14.603 10.020 ( 0.086 3.551 9.216) 9.877 10.209 ( 1.128 0.400 3.551) 3.747 10.268 ( 1.438 -0.674 3.531) 3.872 10.430 ( 2.308 -3.231 -0.999) 4.095 10.851 ( -2.372 -1.061 -2.537) 3.632 10.919 ( -0.861 1.037 -5.206) 5.377 10.949 ( -0.865 -0.413 -3.466) 3.596 11.028 ( 0.424 1.591 -5.002) 5.266 11.874 ( -3.393 11.201 16.485) 20.217 12.359 ( 0.292 2.806 3.142) 4.222 12.502 ( -1.621 -8.472 6.415) 10.749 12.645 ( -4.757 -10.042 3.811) 11.747 14.602 ( -1.527 -0.270 3.848) 4.149 14.723 ( 0.114 -2.786 6.582) 7.148 14.814 ( -0.676 2.780 -0.736) 2.954 14.949 ( 1.331 -1.041 -0.154) 1.697 15.345 ( -6.375 -0.155 12.564) 14.090 15.635 ( 2.238 0.582 7.264) 7.623 15.786 ( 4.302 5.808 -0.754) 7.267 16.084 ( -0.958 -3.530 -1.673) 4.022 16.894 ( -9.966 5.918 13.046) 17.451 17.394 ( 0.054 -2.213 8.706) 8.983 17.671 ( -8.952 -3.798 -6.698) 11.808 18.011 ( -5.508 -2.719 -5.246) 8.078 18.419 ( 1.605 -0.265 4.539) 4.821 18.431 ( 1.909 -2.116 1.996) 3.479 18.699 ( -1.624 1.107 -3.621) 4.120 18.809 ( 1.689 0.028 -4.042) 4.380 21.672 ( 5.089 -0.009 1.926) 5.441 21.709 ( 3.346 -0.275 4.148) 5.337 21.830 ( 2.268 1.057 -1.249) 2.797 21.947 ( 2.091 -5.585 0.876) 6.028 22.327 ( -1.950 9.769 -3.902) 10.699 22.572 ( -0.960 0.735 -5.286) 5.422 22.629 ( -1.401 -1.400 -4.725) 5.124 22.714 ( 0.714 -1.483 -6.698) 6.897 ======================= Grid point 146 (53/90) ======================= q-point: ( 0.22 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( 10.010 -7.503 15.761) 20.122 1.853 ( 11.159 -3.286 12.602) 17.150 2.062 ( 8.087 0.598 19.804) 21.400 2.186 ( 2.407 5.439 7.588) 9.641 2.374 ( 8.686 -0.837 9.261) 12.724 2.489 ( 5.466 -1.972 4.068) 7.093 2.935 ( 1.169 -0.004 9.229) 9.303 3.042 ( 2.355 -3.339 7.086) 8.179 3.108 ( 3.098 -0.176 5.736) 6.522 3.199 ( -0.015 3.225 0.905) 3.349 3.256 ( -0.237 1.416 -3.422) 3.711 3.354 ( -2.635 4.911 10.694) 12.059 3.865 ( -1.148 0.667 -1.546) 2.038 3.975 ( 0.127 -1.055 -1.209) 1.610 4.040 ( -0.045 0.830 -5.712) 5.772 4.227 ( 4.119 -1.769 -6.320) 7.748 4.395 ( 0.663 2.749 -3.597) 4.576 4.518 ( 0.592 -3.199 -5.789) 6.640 4.770 ( -1.968 0.764 1.035) 2.351 4.829 ( 4.086 0.875 -8.217) 9.218 5.126 ( -0.962 5.138 -1.588) 5.463 5.260 ( 5.528 -1.748 -4.703) 7.465 5.356 ( -2.296 1.336 0.828) 2.782 5.418 ( -0.695 -1.572 -5.800) 6.049 5.543 ( 1.419 -6.873 1.353) 7.147 5.576 ( -5.668 -1.739 -5.595) 8.153 6.039 ( -8.591 3.403 5.122) 10.565 6.142 ( -2.265 -1.447 3.956) 4.783 6.299 ( -1.110 0.798 -2.214) 2.602 6.438 ( -8.060 -0.234 3.256) 8.696 6.530 ( 1.223 -0.849 -3.530) 3.831 6.800 ( 0.688 0.450 7.854) 7.897 6.928 ( -4.439 5.964 1.828) 7.656 7.199 ( -3.852 -0.892 -0.806) 4.035 7.260 ( 2.068 1.468 4.670) 5.315 7.347 ( 5.195 -1.489 6.011) 8.084 7.634 ( 2.243 0.134 -7.144) 7.489 7.734 ( 2.554 -0.568 -3.724) 4.552 7.786 ( 1.724 -2.183 -4.824) 5.569 7.911 ( -8.061 0.801 -0.500) 8.116 8.238 ( 1.488 1.192 -1.305) 2.311 8.404 ( 4.134 -5.798 -2.466) 7.536 8.677 ( 0.746 4.812 0.770) 4.930 8.808 ( -1.152 2.039 -1.397) 2.727 9.122 ( -2.587 0.386 -16.314) 16.523 9.253 ( -3.810 -4.514 -8.668) 10.490 9.491 ( 0.270 -0.250 -10.942) 10.948 9.569 ( -0.003 1.725 -16.096) 16.188 10.029 ( 0.909 1.416 8.914) 9.071 10.233 ( 1.001 -3.251 4.492) 5.634 10.307 ( 2.538 3.090 1.581) 4.300 10.479 ( 2.412 -1.777 -1.658) 3.424 10.810 ( -1.867 -0.883 -1.457) 2.528 10.881 ( -1.672 1.344 -3.814) 4.376 10.951 ( 0.007 -1.172 -3.887) 4.060 11.015 ( -1.797 1.109 -4.754) 5.201 11.798 ( -3.877 9.209 20.524) 22.827 12.344 ( -5.842 -7.041 8.319) 12.366 12.417 ( -2.922 -4.326 6.948) 8.691 12.589 ( -0.839 -0.862 3.679) 3.870 14.572 ( -1.422 0.369 4.278) 4.523 14.713 ( -1.381 -2.676 6.895) 7.524 14.803 ( -0.202 1.955 -1.327) 2.371 14.973 ( 0.852 -0.094 -0.640) 1.069 15.255 ( -2.481 0.213 15.627) 15.824 15.649 ( 0.013 2.518 5.832) 6.353 15.820 ( -2.093 0.232 5.850) 6.218 16.055 ( -3.195 0.062 0.167) 3.199 16.742 ( -2.549 1.751 7.603) 8.208 17.369 ( -2.636 0.104 4.769) 5.450 17.512 ( -6.940 -6.242 -2.265) 9.606 17.855 ( -10.121 2.301 -4.246) 11.214 18.450 ( 1.541 -0.148 4.520) 4.778 18.461 ( 1.061 -0.475 2.785) 3.018 18.685 ( 0.351 0.257 -3.573) 3.600 18.832 ( 0.533 0.075 -3.859) 3.897 21.775 ( 4.755 0.098 2.786) 5.513 21.807 ( 6.790 -0.275 -0.415) 6.808 21.889 ( 3.616 1.009 -1.180) 3.935 22.000 ( 3.287 -4.900 0.494) 5.921 22.287 ( -1.940 5.741 -3.665) 7.082 22.539 ( -2.792 -1.392 -4.136) 5.181 22.600 ( -1.237 1.072 -5.228) 5.478 22.717 ( -0.665 -0.461 -6.527) 6.577 ======================= Grid point 147 (54/90) ======================= q-point: ( 0.33 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( 8.839 -2.693 12.613) 15.636 2.031 ( 6.371 -3.872 13.063) 15.041 2.199 ( 5.382 2.234 13.325) 14.544 2.247 ( 3.274 7.265 5.964) 9.953 2.525 ( 6.542 -0.919 6.576) 9.321 2.603 ( 5.247 -0.914 -1.317) 5.487 2.975 ( 2.698 -0.828 11.702) 12.038 3.057 ( -0.293 -3.147 7.684) 8.308 3.166 ( 1.615 0.854 7.439) 7.660 3.200 ( 1.177 -1.395 3.254) 3.731 3.264 ( 0.852 0.362 -1.271) 1.572 3.301 ( -2.742 2.061 6.782) 7.600 3.857 ( 0.473 1.183 -0.814) 1.512 3.968 ( -1.074 -0.007 -0.538) 1.201 4.081 ( 4.823 1.657 -4.727) 6.953 4.301 ( 3.075 -1.969 -6.381) 7.351 4.424 ( 2.263 1.439 -0.104) 2.683 4.548 ( 1.604 -3.785 -6.236) 7.469 4.727 ( -1.318 1.112 -2.740) 3.238 4.895 ( 1.303 0.145 -12.244) 12.314 5.145 ( 3.571 2.579 -0.629) 4.449 5.273 ( -2.150 0.650 -0.684) 2.348 5.387 ( 1.031 -5.501 0.263) 5.603 5.425 ( 4.573 -0.350 -1.676) 4.883 5.507 ( 0.867 -0.624 -8.856) 8.920 5.616 ( 4.515 4.437 -5.502) 8.387 5.840 ( -12.226 6.392 5.924) 15.014 5.987 ( -11.654 -2.837 1.948) 12.151 6.197 ( -11.390 1.965 -4.785) 12.509 6.273 ( -12.470 -1.008 -5.252) 13.569 6.504 ( 3.322 -7.809 -3.798) 9.297 6.813 ( -0.530 1.136 2.811) 3.077 6.911 ( 3.441 4.616 1.472) 5.942 7.178 ( -0.659 -3.591 5.221) 6.371 7.363 ( 7.182 3.144 8.175) 11.327 7.442 ( 4.985 -0.147 6.068) 7.855 7.682 ( 1.997 0.734 -4.841) 5.287 7.732 ( -5.613 -0.365 2.998) 6.374 7.774 ( -1.372 -0.322 -1.280) 1.904 7.807 ( -0.468 0.599 -0.268) 0.806 8.290 ( 3.725 0.054 -0.566) 3.768 8.449 ( 0.529 -5.403 -2.448) 5.955 8.702 ( 1.528 3.237 -1.112) 3.748 8.778 ( -1.765 0.931 -2.038) 2.852 9.075 ( -1.993 1.250 -14.624) 14.812 9.167 ( -4.651 -1.598 -9.468) 10.669 9.506 ( 1.109 -0.663 -12.170) 12.239 9.565 ( -0.435 1.097 -16.444) 16.486 10.058 ( 2.194 -0.977 8.078) 8.428 10.232 ( -1.404 -5.524 4.580) 7.311 10.366 ( 3.578 5.691 0.192) 6.725 10.511 ( 0.572 0.786 -2.827) 2.989 10.787 ( -0.118 -1.396 0.007) 1.401 10.870 ( 0.462 1.107 -2.376) 2.662 10.943 ( -0.916 -0.548 -3.675) 3.827 10.962 ( -3.510 0.224 -3.578) 5.017 11.750 ( -0.624 5.656 24.081) 24.744 12.139 ( -11.968 -9.507 18.394) 23.915 12.440 ( 2.731 1.488 2.907) 4.258 12.577 ( -0.870 0.596 2.691) 2.890 14.554 ( -0.264 0.526 4.805) 4.840 14.668 ( -3.076 -1.881 7.211) 8.062 14.814 ( 1.489 1.468 -2.282) 3.095 14.971 ( -1.271 0.758 -1.547) 2.141 15.256 ( 2.456 0.183 17.223) 17.399 15.634 ( -3.210 -1.201 13.320) 13.754 15.733 ( -4.089 2.684 7.027) 8.562 15.948 ( -6.629 -0.528 3.143) 7.355 16.830 ( 10.010 0.139 -2.353) 10.284 17.316 ( -1.939 0.047 0.958) 2.164 17.397 ( -5.666 -4.626 0.099) 7.315 17.642 ( -11.650 3.477 -4.135) 12.842 18.474 ( 0.942 -0.086 4.416) 4.516 18.476 ( 0.593 0.007 3.901) 3.945 18.709 ( 1.891 0.027 -3.586) 4.054 18.828 ( -0.966 -0.025 -3.575) 3.703 21.858 ( 3.938 1.345 2.599) 4.906 21.926 ( 3.889 -0.751 -0.655) 4.015 21.965 ( 5.025 0.487 -2.311) 5.552 22.071 ( 4.008 -3.943 -1.123) 5.733 22.257 ( -1.056 2.863 -3.117) 4.362 22.463 ( -4.889 -1.255 -3.024) 5.884 22.589 ( 0.144 1.443 -5.391) 5.582 22.689 ( -2.107 -0.174 -5.947) 6.312 ======================= Grid point 148 (55/90) ======================= q-point: ( 0.44 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.036 ( 5.976 -1.094 11.284) 12.815 2.095 ( 0.205 -1.944 12.166) 12.322 2.267 ( 1.992 4.936 8.540) 10.063 2.283 ( 0.335 7.049 5.738) 9.095 2.624 ( 3.706 -1.452 2.401) 4.648 2.658 ( 0.409 -0.671 -1.121) 1.369 3.021 ( 1.778 -0.754 12.869) 13.013 3.044 ( -0.873 -2.136 9.803) 10.071 3.181 ( 1.068 -2.685 6.496) 7.109 3.213 ( -1.412 -2.396 8.776) 9.206 3.271 ( 0.422 -0.107 0.658) 0.789 3.279 ( 0.265 -0.117 0.578) 0.646 3.884 ( 2.241 1.632 0.192) 2.779 3.933 ( -2.470 1.203 0.238) 2.758 4.210 ( 7.394 1.488 -4.903) 8.996 4.315 ( -2.468 0.141 -6.100) 6.582 4.478 ( 3.388 -2.138 1.825) 4.402 4.539 ( -2.392 -4.072 0.227) 4.728 4.762 ( 4.568 1.085 -10.594) 11.588 4.859 ( -4.476 -0.957 -12.379) 13.199 5.230 ( 4.480 1.153 -3.109) 5.574 5.320 ( -4.635 -1.963 -2.555) 5.645 5.331 ( 8.205 4.130 0.437) 9.197 5.536 ( -6.888 2.442 0.761) 7.348 5.571 ( 4.747 0.889 -6.875) 8.401 5.654 ( 6.949 0.383 3.604) 7.838 5.734 ( 2.590 0.780 -10.276) 10.626 5.783 ( -7.127 1.168 0.090) 7.222 5.911 ( -11.794 -0.171 -6.397) 13.419 6.023 ( -13.587 2.435 -7.625) 15.770 6.636 ( 8.007 -5.976 -1.183) 10.061 6.763 ( -4.644 -1.182 -0.127) 4.794 7.010 ( 5.895 0.149 3.468) 6.841 7.121 ( -5.129 -4.173 5.505) 8.604 7.495 ( 5.830 1.465 6.238) 8.663 7.560 ( 7.385 3.212 7.490) 10.998 7.599 ( -5.508 0.061 4.864) 7.348 7.696 ( -5.565 3.773 4.339) 8.002 7.760 ( 2.528 0.264 -1.843) 3.139 7.799 ( -1.088 -0.164 -1.224) 1.646 8.368 ( 3.998 -1.702 -0.707) 4.403 8.430 ( -2.249 -3.624 -1.502) 4.521 8.727 ( 1.038 0.643 -2.335) 2.635 8.748 ( -1.260 -0.193 -2.533) 2.836 9.057 ( 0.331 1.682 -12.709) 12.824 9.090 ( -3.073 0.798 -10.993) 11.442 9.529 ( 1.243 -0.368 -14.051) 14.111 9.551 ( -0.978 0.223 -15.628) 15.660 10.113 ( 3.437 -3.194 6.734) 8.208 10.182 ( -3.426 -4.908 5.302) 7.996 10.437 ( 3.589 5.291 -1.355) 6.536 10.495 ( -2.131 3.510 -2.946) 5.053 10.814 ( 2.768 -1.901 0.322) 3.373 10.880 ( -3.027 -0.666 -1.459) 3.425 10.894 ( 0.437 0.795 -2.072) 2.261 10.922 ( -1.456 0.780 -2.857) 3.300 11.788 ( 4.716 0.683 24.834) 25.287 11.927 ( -9.517 -4.640 22.800) 25.139 12.498 ( 3.031 1.358 2.279) 4.028 12.549 ( -2.148 1.091 2.205) 3.266 14.565 ( 1.410 0.092 5.588) 5.764 14.607 ( -2.895 -0.773 6.569) 7.220 14.860 ( 3.158 1.246 -2.738) 4.362 14.925 ( -3.246 1.200 -2.472) 4.253 15.343 ( 6.438 -0.149 18.996) 20.058 15.494 ( -8.834 -0.867 20.314) 22.168 15.743 ( 3.376 1.095 3.282) 4.834 15.831 ( -5.487 -0.877 3.283) 6.454 17.058 ( 12.392 -0.692 -4.833) 13.319 17.264 ( -8.001 -2.929 -1.132) 8.595 17.324 ( 2.150 0.614 -1.445) 2.662 17.432 ( -9.073 2.896 -3.018) 9.991 18.484 ( 0.313 0.010 4.250) 4.262 18.486 ( 0.224 -0.069 4.499) 4.505 18.752 ( 2.469 -0.026 -3.431) 4.227 18.797 ( -2.106 -0.055 -3.397) 3.997 21.922 ( 2.534 1.560 2.098) 3.641 21.951 ( -0.414 1.009 1.365) 1.747 22.068 ( 4.700 -1.712 -4.129) 6.486 22.122 ( -0.095 -3.259 -4.188) 5.308 22.268 ( 3.037 1.446 -1.419) 3.651 22.360 ( -5.593 -0.151 -2.000) 5.942 22.605 ( 1.485 0.769 -5.294) 5.552 22.644 ( -2.377 0.134 -5.445) 5.943 ======================= Grid point 153 (56/90) ======================= q-point: ( 0.00 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( 0.000 -9.475 18.080) 20.412 1.462 ( 0.000 9.475 18.080) 20.412 1.861 ( 0.000 -3.955 18.049) 18.477 1.861 ( 0.000 3.955 18.049) 18.477 2.353 ( 0.000 -2.108 12.163) 12.345 2.353 ( 0.000 2.108 12.163) 12.345 2.910 ( 0.000 -0.314 10.175) 10.179 2.910 ( 0.000 0.314 10.175) 10.179 3.133 ( 0.000 -0.004 -1.808) 1.808 3.133 ( 0.000 0.004 -1.808) 1.808 3.416 ( 0.000 -3.665 1.423) 3.931 3.416 ( 0.000 3.665 1.423) 3.931 3.936 ( 0.000 -1.336 -2.026) 2.427 3.936 ( 0.000 1.336 -2.026) 2.427 4.098 ( 0.000 -1.279 -7.196) 7.309 4.098 ( 0.000 1.279 -7.196) 7.309 4.486 ( 0.000 -4.009 -7.313) 8.340 4.486 ( 0.000 4.009 -7.313) 8.340 4.783 ( 0.000 -2.102 7.681) 7.963 4.783 ( 0.000 2.102 7.681) 7.963 5.213 ( 0.000 -8.516 3.542) 9.223 5.213 ( 0.000 8.516 3.542) 9.223 5.359 ( 0.000 -11.391 -13.956) 18.014 5.359 ( 0.000 11.391 -13.956) 18.014 5.568 ( 0.000 -11.603 2.524) 11.874 5.568 ( 0.000 11.603 2.524) 11.874 6.147 ( 0.000 -1.506 2.367) 2.806 6.147 ( 0.000 1.506 2.367) 2.806 6.305 ( 0.000 -1.321 1.234) 1.808 6.305 ( 0.000 1.321 1.234) 1.808 6.878 ( 0.000 -2.152 9.953) 10.183 6.878 ( 0.000 2.152 9.953) 10.183 6.977 ( 0.000 -10.975 9.415) 14.460 6.977 ( 0.000 10.975 9.415) 14.460 7.396 ( 0.000 -4.824 -9.681) 10.816 7.396 ( 0.000 4.824 -9.681) 10.816 7.662 ( 0.000 -0.134 -5.739) 5.740 7.662 ( 0.000 0.134 -5.739) 5.740 7.880 ( 0.000 -2.804 -6.862) 7.413 7.880 ( 0.000 2.804 -6.862) 7.413 8.237 ( 0.000 -0.057 -2.281) 2.281 8.237 ( 0.000 0.057 -2.281) 2.281 8.792 ( 0.000 -1.703 2.989) 3.440 8.792 ( 0.000 1.703 2.989) 3.440 9.190 ( 0.000 -3.354 -16.272) 16.614 9.190 ( 0.000 3.354 -16.272) 16.614 9.551 ( 0.000 -0.072 -10.738) 10.738 9.551 ( 0.000 0.072 -10.738) 10.738 10.132 ( 0.000 -5.604 7.182) 9.110 10.132 ( 0.000 5.604 7.182) 9.110 10.310 ( 0.000 -4.880 0.555) 4.912 10.310 ( 0.000 4.880 0.555) 4.912 10.886 ( 0.000 -0.005 -3.434) 3.434 10.886 ( 0.000 0.005 -3.434) 3.434 11.015 ( 0.000 -0.541 -5.641) 5.667 11.015 ( 0.000 0.541 -5.641) 5.667 12.239 ( 0.000 -18.403 10.600) 21.238 12.239 ( 0.000 18.403 10.600) 21.238 12.466 ( 0.000 -6.837 3.787) 7.816 12.466 ( 0.000 6.837 3.787) 7.816 14.652 ( 0.000 -3.129 6.179) 6.927 14.652 ( 0.000 3.129 6.179) 6.927 14.887 ( 0.000 -2.621 -0.079) 2.623 14.887 ( 0.000 2.621 -0.079) 2.623 15.490 ( 0.000 -2.260 10.429) 10.671 15.490 ( 0.000 2.260 10.429) 10.671 15.950 ( 0.000 -9.060 -4.003) 9.905 15.950 ( 0.000 9.060 -4.003) 9.905 17.225 ( 0.000 -9.634 12.497) 15.780 17.225 ( 0.000 9.634 12.497) 15.780 17.863 ( 0.000 -5.385 -7.524) 9.253 17.863 ( 0.000 5.385 -7.524) 9.253 18.389 ( 0.000 -0.076 4.339) 4.339 18.389 ( 0.000 0.076 4.339) 4.339 18.763 ( 0.000 -0.928 -4.062) 4.167 18.763 ( 0.000 0.928 -4.062) 4.167 21.646 ( 0.000 -1.484 4.116) 4.376 21.646 ( 0.000 1.484 4.116) 4.376 21.844 ( 0.000 -2.610 -0.426) 2.644 21.844 ( 0.000 2.610 -0.426) 2.644 22.551 ( 0.000 -6.853 -5.515) 8.796 22.551 ( 0.000 6.853 -5.515) 8.796 22.637 ( 0.000 -3.299 -5.876) 6.738 22.637 ( 0.000 3.299 -5.876) 6.738 ======================= Grid point 155 (57/90) ======================= q-point: ( 0.11 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( 5.027 -0.000 18.944) 19.600 1.625 ( 9.400 0.000 16.444) 18.941 1.914 ( 7.038 -0.000 17.495) 18.858 1.997 ( 10.824 0.000 14.235) 17.883 2.347 ( 0.539 0.000 13.389) 13.400 2.381 ( 2.363 0.000 8.744) 9.057 2.912 ( 1.597 0.000 6.511) 6.704 2.963 ( 3.040 0.000 13.092) 13.440 3.069 ( -1.731 0.000 0.213) 1.744 3.206 ( 3.107 0.000 -2.233) 3.826 3.344 ( -4.191 0.000 0.579) 4.231 3.453 ( 0.414 0.000 3.070) 3.098 3.902 ( -1.839 0.000 -2.192) 2.862 3.956 ( 0.608 0.000 -1.325) 1.458 4.063 ( -1.718 0.000 -8.005) 8.187 4.140 ( 2.615 0.000 -6.530) 7.034 4.458 ( -0.967 -0.000 -6.911) 6.979 4.482 ( -1.400 0.000 -5.475) 5.651 4.781 ( -0.118 0.000 5.248) 5.249 4.811 ( 2.493 -0.000 5.902) 6.407 5.181 ( -1.186 0.000 2.869) 3.105 5.244 ( 0.493 0.000 2.359) 2.410 5.352 ( 1.227 0.000 -11.498) 11.564 5.386 ( 0.335 -0.000 -15.925) 15.929 5.460 ( -3.757 0.000 0.404) 3.779 5.622 ( -0.531 0.000 4.622) 4.652 6.137 ( -0.240 0.000 2.793) 2.803 6.152 ( -1.122 -0.000 4.636) 4.770 6.247 ( 0.516 0.000 -2.818) 2.865 6.445 ( 7.489 0.000 0.433) 7.501 6.721 ( -14.473 0.000 9.009) 17.048 6.788 ( -1.810 0.000 10.220) 10.379 7.047 ( 7.028 -0.000 9.828) 12.083 7.143 ( 7.357 0.000 7.510) 10.513 7.291 ( -5.076 0.000 -5.785) 7.696 7.409 ( -8.545 0.000 -9.472) 12.757 7.615 ( -3.375 0.000 -5.812) 6.721 7.686 ( 1.811 0.000 -5.314) 5.614 7.695 ( 1.011 0.000 -7.273) 7.343 8.051 ( -0.357 0.000 -5.045) 5.058 8.242 ( 0.709 -0.762 -1.856) 2.127 8.242 ( 3.246 0.762 -1.803) 3.791 8.740 ( -1.518 0.000 3.625) 3.930 8.839 ( 1.099 0.000 -0.344) 1.152 9.184 ( -0.720 -0.000 -13.073) 13.093 9.188 ( -0.467 0.000 -17.151) 17.158 9.509 ( -2.021 0.000 -9.634) 9.844 9.581 ( 0.983 0.000 -13.098) 13.135 10.103 ( -1.804 0.000 6.959) 7.189 10.143 ( 0.516 0.000 7.430) 7.448 10.330 ( 2.711 0.000 1.121) 2.934 10.352 ( 3.038 -0.000 -0.164) 3.042 10.840 ( -2.346 0.000 -2.545) 3.461 10.923 ( 1.369 0.000 -4.116) 4.338 10.956 ( -3.380 0.000 -5.082) 6.104 11.044 ( 0.365 0.000 -5.646) 5.658 12.169 ( -6.241 0.000 12.754) 14.199 12.208 ( -3.922 -0.000 12.542) 13.141 12.414 ( -1.341 -0.000 4.210) 4.419 12.531 ( 2.823 0.000 2.996) 4.116 14.619 ( -1.803 0.000 5.809) 6.082 14.674 ( 0.685 0.000 6.611) 6.646 14.850 ( -1.646 0.000 -0.524) 1.727 14.931 ( 2.309 0.000 -0.167) 2.315 15.346 ( -6.421 0.000 13.445) 14.899 15.625 ( 5.057 0.000 9.262) 10.553 15.907 ( -2.821 0.000 -2.915) 4.057 16.005 ( 3.779 0.000 -5.119) 6.362 16.985 ( -14.432 0.000 14.974) 20.797 17.351 ( 3.787 0.000 9.415) 10.148 17.617 ( -12.330 0.000 -4.879) 13.260 17.978 ( -0.257 0.000 -7.461) 7.466 18.409 ( 2.487 0.000 2.942) 3.852 18.415 ( 1.754 0.000 4.571) 4.895 18.711 ( -2.227 0.000 -3.481) 4.132 18.810 ( 1.922 0.000 -4.230) 4.646 21.672 ( 3.778 0.000 3.062) 4.863 21.705 ( 4.588 0.000 3.472) 5.753 21.865 ( 2.030 0.000 -0.478) 2.086 21.867 ( 2.331 0.000 -0.648) 2.420 22.455 ( -5.672 0.000 -4.678) 7.352 22.562 ( -1.303 0.000 -4.539) 4.722 22.622 ( -0.435 0.000 -5.532) 5.549 22.688 ( 2.494 0.000 -7.083) 7.509 ======================= Grid point 157 (58/90) ======================= q-point: ( 0.22 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( 13.000 0.000 17.055) 21.444 1.802 ( 8.901 0.000 15.546) 17.914 2.072 ( 8.148 -0.000 13.630) 15.880 2.224 ( 10.939 0.000 10.077) 14.873 2.394 ( 4.534 0.000 10.596) 11.525 2.457 ( 5.885 0.000 3.617) 6.908 2.938 ( 0.943 0.000 2.102) 2.304 3.005 ( 1.097 0.000 16.178) 16.215 3.093 ( 3.866 0.000 5.141) 6.433 3.235 ( -1.063 0.000 -0.288) 1.102 3.275 ( -1.829 0.000 -0.778) 1.988 3.423 ( -3.602 0.000 4.783) 5.988 3.873 ( -0.932 0.000 -2.213) 2.401 3.966 ( 0.540 0.000 -0.665) 0.857 4.047 ( 0.690 0.000 -6.976) 7.010 4.198 ( 3.352 0.000 -7.104) 7.855 4.453 ( -0.970 -0.000 -1.952) 2.179 4.465 ( 1.649 0.000 -6.923) 7.116 4.765 ( -1.652 0.000 2.317) 2.845 4.874 ( 3.559 0.000 -0.321) 3.573 5.180 ( 1.354 0.000 -0.051) 1.355 5.204 ( -3.347 0.000 -3.246) 4.663 5.365 ( -2.287 -0.000 -10.619) 10.862 5.366 ( 1.059 0.000 -1.649) 1.959 5.515 ( 7.721 0.000 -3.324) 8.406 5.572 ( -3.415 0.000 -1.406) 3.693 6.064 ( -6.626 0.000 5.017) 8.311 6.135 ( -1.242 0.000 5.615) 5.751 6.305 ( 2.162 -0.000 -6.239) 6.603 6.420 ( -14.362 0.000 3.293) 14.735 6.523 ( -2.986 0.000 -2.218) 3.720 6.803 ( 2.430 0.000 8.264) 8.614 7.028 ( -8.555 -0.000 2.399) 8.885 7.181 ( -3.197 0.000 -3.258) 4.565 7.300 ( 6.328 -0.000 10.224) 12.024 7.301 ( 3.808 0.000 1.493) 4.090 7.634 ( 2.529 0.000 -7.294) 7.720 7.727 ( 2.237 0.000 -4.062) 4.637 7.760 ( 4.171 0.000 -4.342) 6.020 7.919 ( -10.085 0.000 0.206) 10.087 8.254 ( 1.220 0.000 -0.432) 1.294 8.338 ( 4.013 0.000 -2.991) 5.005 8.734 ( 0.435 0.000 1.414) 1.480 8.832 ( -1.626 0.000 -2.088) 2.647 9.153 ( -2.448 0.000 -11.233) 11.497 9.169 ( -1.536 0.000 -15.859) 15.933 9.486 ( -0.160 0.000 -10.206) 10.207 9.590 ( -0.096 0.000 -15.423) 15.423 10.073 ( -1.177 0.000 7.578) 7.669 10.154 ( 0.422 -0.000 7.140) 7.153 10.402 ( 4.429 0.000 0.001) 4.429 10.413 ( 3.042 -0.000 -0.275) 3.054 10.800 ( -1.865 0.000 -1.992) 2.729 10.899 ( -2.124 0.000 -3.781) 4.337 10.938 ( 0.278 0.000 -4.123) 4.132 11.026 ( -2.212 0.000 -4.900) 5.376 12.025 ( -7.922 0.000 17.417) 19.134 12.097 ( -7.178 -0.000 17.174) 18.614 12.416 ( 1.310 0.000 3.828) 4.046 12.572 ( 1.402 0.000 2.397) 2.777 14.586 ( -1.495 0.000 5.512) 5.711 14.673 ( -0.869 0.000 6.995) 7.049 14.827 ( -0.585 0.000 -1.415) 1.531 14.970 ( 1.499 0.000 -0.828) 1.713 15.259 ( -2.382 0.000 15.778) 15.957 15.670 ( -0.274 0.000 11.534) 11.537 15.839 ( -3.937 0.000 -1.335) 4.157 16.050 ( -1.431 0.000 -0.969) 1.728 16.766 ( -4.888 0.000 9.251) 10.463 17.380 ( -0.626 0.000 6.652) 6.682 17.424 ( -7.628 0.000 -3.007) 8.199 17.881 ( -8.693 0.000 -5.539) 10.308 18.448 ( 1.575 0.000 4.671) 4.929 18.455 ( 1.744 0.000 2.606) 3.136 18.689 ( 0.055 0.000 -3.426) 3.426 18.833 ( 0.472 0.000 -3.956) 3.984 21.775 ( 6.205 0.000 1.061) 6.295 21.806 ( 5.548 0.000 2.448) 6.064 21.916 ( 3.116 -0.000 -0.844) 3.229 21.931 ( 4.189 0.000 -1.228) 4.365 22.355 ( -4.470 0.000 -3.231) 5.515 22.519 ( -3.019 -0.000 -3.905) 4.936 22.613 ( -0.487 0.000 -5.616) 5.637 22.710 ( -0.211 0.000 -6.800) 6.803 ======================= Grid point 159 (59/90) ======================= q-point: ( 0.33 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( 11.797 0.000 14.954) 19.048 1.958 ( 7.067 -0.000 13.326) 15.084 2.213 ( 6.612 -0.000 10.251) 12.199 2.362 ( 3.509 0.000 6.731) 7.590 2.500 ( 5.657 -0.000 5.052) 7.585 2.592 ( 6.370 0.000 -1.703) 6.594 2.968 ( 2.315 0.000 4.823) 5.350 3.010 ( -0.121 0.000 18.932) 18.932 3.174 ( 3.554 0.000 7.170) 8.002 3.187 ( -2.563 0.000 2.741) 3.753 3.269 ( 0.285 0.000 -1.411) 1.440 3.325 ( -5.812 -0.000 4.216) 7.180 3.872 ( 0.858 0.000 -1.834) 2.025 3.971 ( -0.312 0.000 -0.326) 0.451 4.106 ( 5.434 0.000 -5.048) 7.417 4.263 ( 3.281 0.000 -7.077) 7.800 4.452 ( 0.458 0.000 1.434) 1.506 4.506 ( 1.648 0.000 -5.186) 5.441 4.733 ( -0.605 0.000 -1.718) 1.822 4.902 ( -1.504 0.000 -10.472) 10.580 5.196 ( 2.924 0.000 -0.927) 3.067 5.241 ( 5.105 0.000 -3.722) 6.318 5.317 ( -2.129 0.000 -4.243) 4.747 5.424 ( 5.622 0.000 -0.081) 5.622 5.523 ( -1.091 0.000 -7.690) 7.767 5.667 ( 6.928 0.000 -5.825) 9.051 5.931 ( -6.827 -0.000 5.398) 8.704 5.958 ( -15.999 0.000 10.286) 19.021 6.217 ( -15.242 -0.000 -4.331) 15.845 6.256 ( -7.477 0.000 -9.697) 12.244 6.396 ( 1.470 0.000 -4.323) 4.566 6.829 ( -0.995 0.000 2.056) 2.284 6.969 ( 1.608 0.000 1.384) 2.122 7.129 ( -2.448 0.000 3.976) 4.669 7.407 ( 5.591 -0.000 4.468) 7.157 7.438 ( 8.142 0.000 11.377) 13.991 7.691 ( 3.234 0.000 -4.859) 5.837 7.728 ( -8.136 0.000 3.644) 8.915 7.770 ( 1.358 0.000 -3.576) 3.826 7.813 ( 0.527 -0.000 0.401) 0.662 8.291 ( 2.653 0.000 0.329) 2.673 8.384 ( 0.989 0.000 -2.448) 2.640 8.740 ( -0.045 0.000 -1.131) 1.131 8.787 ( -2.644 0.000 -2.273) 3.487 9.105 ( -2.122 0.000 -11.589) 11.782 9.132 ( -2.098 0.000 -13.813) 13.971 9.498 ( 1.114 0.000 -12.011) 12.062 9.579 ( -0.951 0.000 -16.541) 16.568 10.063 ( 0.208 0.000 7.943) 7.945 10.151 ( -0.909 0.000 6.833) 6.893 10.467 ( 2.609 0.000 -0.805) 2.730 10.485 ( 3.751 -0.000 -2.308) 4.404 10.770 ( -0.832 0.000 -1.032) 1.326 10.885 ( 0.610 0.000 -2.476) 2.550 10.935 ( -0.754 0.000 -3.189) 3.277 10.964 ( -3.819 0.000 -3.519) 5.193 11.890 ( -5.668 0.000 21.711) 22.438 11.954 ( -7.127 -0.000 21.899) 23.030 12.457 ( 2.784 0.000 3.030) 4.115 12.584 ( -0.231 0.000 1.999) 2.012 14.565 ( -0.562 0.000 5.443) 5.472 14.641 ( -2.253 0.000 6.986) 7.340 14.833 ( 1.272 0.000 -2.492) 2.798 14.980 ( -0.722 0.000 -2.037) 2.161 15.258 ( 2.290 0.000 17.363) 17.514 15.618 ( -5.192 0.000 16.892) 17.672 15.773 ( -2.445 -0.000 1.030) 2.653 15.938 ( -7.848 0.000 5.003) 9.307 16.832 ( 9.537 0.000 -1.912) 9.727 17.326 ( -2.504 0.000 -2.174) 3.316 17.335 ( -3.883 0.000 3.635) 5.319 17.680 ( -11.540 0.000 -4.789) 12.494 18.473 ( 0.966 0.000 4.687) 4.785 18.476 ( 0.662 0.000 3.608) 3.668 18.709 ( 1.835 0.000 -3.538) 3.985 18.828 ( -1.014 0.000 -3.595) 3.735 21.886 ( 4.904 -0.000 0.232) 4.909 21.905 ( 4.383 0.000 1.914) 4.783 21.979 ( 3.399 -0.000 -1.689) 3.796 22.019 ( 4.607 0.000 -2.372) 5.182 22.288 ( -2.309 0.000 -2.099) 3.120 22.448 ( -4.291 -0.000 -3.361) 5.450 22.606 ( -0.056 0.000 -5.516) 5.516 22.686 ( -1.985 0.000 -5.976) 6.297 ======================= Grid point 161 (60/90) ======================= q-point: ( 0.44 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( 4.621 0.000 13.112) 13.902 2.059 ( 2.876 -0.000 12.059) 12.397 2.323 ( 4.586 -0.000 6.696) 8.116 2.381 ( -1.208 0.000 4.859) 5.007 2.596 ( 4.172 -0.000 1.013) 4.294 2.647 ( -0.597 0.000 -1.818) 1.913 3.013 ( 1.678 0.000 10.657) 10.788 3.017 ( 0.791 0.000 17.486) 17.503 3.151 ( -0.757 0.000 4.489) 4.553 3.179 ( -3.166 0.000 9.823) 10.320 3.267 ( 0.641 -0.000 -0.596) 0.875 3.277 ( 0.168 0.000 -0.083) 0.187 3.904 ( 2.322 0.000 -1.006) 2.530 3.949 ( -1.950 0.000 -0.428) 1.996 4.234 ( 6.767 0.000 -4.509) 8.131 4.307 ( 0.134 0.000 -6.705) 6.707 4.457 ( 0.463 0.000 4.187) 4.213 4.493 ( -2.537 0.000 1.097) 2.763 4.771 ( 3.901 0.000 -9.572) 10.337 4.846 ( -3.553 0.000 -12.645) 13.135 5.256 ( 2.350 0.000 -4.840) 5.380 5.287 ( -1.171 0.000 -4.037) 4.203 5.378 ( 9.001 0.000 -3.427) 9.632 5.548 ( -0.801 -0.000 -0.587) 0.993 5.568 ( 6.917 0.000 -9.103) 11.433 5.689 ( -2.774 0.000 8.027) 8.493 5.747 ( -4.315 0.000 -9.199) 10.161 5.803 ( -6.811 0.000 7.640) 10.235 5.918 ( -5.890 -0.000 -6.068) 8.457 6.052 ( -12.112 0.000 -11.049) 16.395 6.549 ( 10.711 0.000 -0.660) 10.731 6.741 ( -8.058 0.000 -0.252) 8.062 7.018 ( 2.793 0.000 2.010) 3.441 7.074 ( -3.052 0.000 4.487) 5.427 7.505 ( 4.772 0.000 4.430) 6.512 7.597 ( -3.694 0.000 5.149) 6.337 7.611 ( 7.345 0.000 9.906) 12.332 7.737 ( -1.017 0.000 0.742) 1.259 7.778 ( -1.923 -0.000 3.172) 3.709 7.786 ( -0.125 0.000 -2.346) 2.349 8.346 ( 2.677 0.000 -0.285) 2.692 8.383 ( -1.032 0.000 -1.443) 1.774 8.735 ( -0.185 0.000 -3.027) 3.032 8.745 ( -1.432 -0.000 -3.229) 3.533 9.082 ( -0.170 0.000 -11.652) 11.654 9.096 ( -1.459 -0.000 -12.153) 12.240 9.524 ( 1.577 0.000 -14.328) 14.415 9.555 ( -1.516 0.000 -16.082) 16.154 10.081 ( 1.657 0.000 7.647) 7.824 10.120 ( -2.094 0.000 7.074) 7.377 10.511 ( 1.809 0.000 -2.531) 3.111 10.527 ( 0.432 0.000 -3.931) 3.955 10.788 ( 2.872 0.000 0.334) 2.891 10.867 ( -4.814 0.000 -0.842) 4.887 10.908 ( 1.435 0.000 -2.464) 2.852 10.931 ( -0.861 0.000 -3.012) 3.133 11.820 ( -1.274 0.000 24.343) 24.376 11.845 ( -3.739 0.000 24.565) 24.848 12.514 ( 2.956 0.000 2.293) 3.741 12.563 ( -1.909 0.000 1.932) 2.716 14.567 ( 0.834 0.000 5.774) 5.834 14.597 ( -2.118 0.000 6.434) 6.774 14.876 ( 3.137 0.000 -3.278) 4.537 14.941 ( -3.098 0.000 -3.193) 4.449 15.341 ( 6.139 0.000 19.163) 20.123 15.482 ( -8.041 0.000 20.227) 21.767 15.760 ( 1.208 0.000 3.109) 3.336 15.816 ( -4.549 0.000 4.102) 6.125 17.049 ( 11.494 0.000 -4.203) 12.239 17.232 ( -7.129 0.000 -0.385) 7.139 17.332 ( 3.385 0.000 -2.041) 3.952 17.464 ( -10.002 0.000 -3.851) 10.717 18.485 ( 0.254 -0.000 4.249) 4.256 18.485 ( 0.270 0.000 4.564) 4.572 18.752 ( 2.441 0.000 -3.412) 4.195 18.797 ( -2.100 0.000 -3.386) 3.985 21.953 ( 1.953 -0.000 0.629) 2.051 21.960 ( 1.223 0.000 1.388) 1.850 22.045 ( 3.172 0.000 -2.591) 4.095 22.077 ( 0.561 0.000 -3.204) 3.253 22.283 ( 2.189 0.000 -1.703) 2.774 22.358 ( -4.834 -0.000 -2.624) 5.500 22.615 ( 1.009 -0.000 -5.361) 5.455 22.645 ( -2.045 0.000 -5.436) 5.808 ======================= Grid point 180 (61/90) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( 0.000 0.000 20.637) 20.637 2.183 ( 0.000 0.000 -1.163) 1.163 2.292 ( 0.000 0.000 12.586) 12.586 2.299 ( 0.000 0.000 11.806) 11.806 2.479 ( 0.000 0.000 28.128) 28.128 2.546 ( 0.000 0.000 8.583) 8.583 2.954 ( 0.000 0.000 -2.713) 2.713 2.961 ( 0.000 0.000 -3.881) 3.881 3.035 ( 0.000 0.000 -4.097) 4.097 3.061 ( 0.000 0.000 -7.361) 7.361 3.207 ( 0.000 0.000 2.397) 2.397 3.504 ( 0.000 0.000 -4.764) 4.764 3.904 ( 0.000 0.000 -4.840) 4.840 3.928 ( 0.000 0.000 2.876) 2.876 3.937 ( 0.000 0.000 -6.188) 6.188 4.064 ( 0.000 0.000 -2.819) 2.819 4.254 ( 0.000 0.000 -3.901) 3.901 4.433 ( 0.000 0.000 -14.586) 14.586 4.584 ( 0.000 0.000 4.319) 4.319 4.820 ( 0.000 0.000 -1.357) 1.357 5.051 ( 0.000 0.000 0.570) 0.570 5.118 ( 0.000 0.000 -3.146) 3.146 5.406 ( 0.000 0.000 25.883) 25.883 5.411 ( 0.000 0.000 -3.816) 3.816 5.632 ( 0.000 0.000 -6.513) 6.513 6.166 ( 0.000 0.000 -7.011) 7.011 6.186 ( 0.000 0.000 1.888) 1.888 6.187 ( 0.000 0.000 1.494) 1.494 6.413 ( 0.000 0.000 8.073) 8.073 6.471 ( 0.000 0.000 14.421) 14.421 6.540 ( 0.000 0.000 14.631) 14.631 6.924 ( 0.000 0.000 -11.456) 11.456 7.079 ( 0.000 0.000 12.906) 12.906 7.279 ( 0.000 0.000 4.603) 4.603 7.369 ( 0.000 0.000 6.035) 6.035 7.426 ( 0.000 0.000 -8.636) 8.636 7.487 ( 0.000 0.000 -8.701) 8.701 7.500 ( 0.000 0.000 -10.365) 10.365 7.602 ( 0.000 0.000 -5.472) 5.472 7.618 ( 0.000 0.000 -12.136) 12.136 8.244 ( 0.000 0.000 6.698) 6.698 8.464 ( 0.000 0.000 5.371) 5.371 8.649 ( 0.000 0.000 6.146) 6.146 8.740 ( 0.000 0.000 -10.481) 10.481 8.871 ( 0.000 0.000 -14.971) 14.971 9.201 ( 0.000 0.000 -17.983) 17.983 9.256 ( 0.000 0.000 -4.247) 4.247 9.348 ( 0.000 0.000 -5.365) 5.365 10.159 ( 0.000 0.000 9.067) 9.067 10.260 ( 0.000 0.000 5.667) 5.667 10.355 ( 0.000 0.000 2.000) 2.000 10.401 ( 0.000 0.000 -3.576) 3.576 10.824 ( 0.000 0.000 -1.730) 1.730 10.874 ( 0.000 0.000 -3.532) 3.532 10.887 ( 0.000 0.000 -1.742) 1.742 10.929 ( 0.000 0.000 -3.042) 3.042 12.049 ( 0.000 0.000 11.648) 11.648 12.317 ( 0.000 0.000 -2.445) 2.445 12.670 ( 0.000 0.000 4.710) 4.710 12.824 ( 0.000 0.000 -3.122) 3.122 14.677 ( 0.000 0.000 1.801) 1.801 14.745 ( 0.000 0.000 -1.270) 1.270 14.862 ( 0.000 0.000 4.856) 4.856 14.950 ( 0.000 0.000 -0.339) 0.339 15.524 ( 0.000 0.000 2.344) 2.344 15.585 ( 0.000 0.000 -0.922) 0.922 15.834 ( 0.000 0.000 9.233) 9.233 16.101 ( 0.000 0.000 -4.635) 4.635 17.150 ( 0.000 0.000 13.306) 13.306 17.581 ( 0.000 0.000 -9.384) 9.384 17.625 ( 0.000 0.000 10.817) 10.817 18.031 ( 0.000 0.000 -9.237) 9.237 18.474 ( 0.000 0.000 2.105) 2.105 18.498 ( 0.000 0.000 5.291) 5.291 18.613 ( 0.000 0.000 -4.160) 4.160 18.704 ( 0.000 0.000 -5.100) 5.100 21.671 ( 0.000 0.000 3.192) 3.192 21.765 ( 0.000 0.000 -1.789) 1.789 21.793 ( 0.000 0.000 5.802) 5.802 22.019 ( 0.000 0.000 -5.708) 5.708 22.183 ( 0.000 0.000 6.260) 6.260 22.441 ( 0.000 0.000 -6.730) 6.730 22.600 ( 0.000 0.000 -2.599) 2.599 22.625 ( 0.000 0.000 -4.113) 4.113 ======================= Grid point 181 (62/90) ======================= q-point: ( 0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( 13.179 0.000 17.611) 21.996 2.189 ( 0.833 0.000 5.046) 5.114 2.245 ( -4.442 0.000 12.358) 13.132 2.323 ( 3.089 0.000 9.675) 10.156 2.514 ( 3.618 0.000 20.126) 20.448 2.584 ( 3.084 0.000 11.684) 12.084 2.946 ( 0.163 0.000 -3.092) 3.096 2.987 ( 2.420 0.000 -4.685) 5.273 3.079 ( 2.089 0.000 -6.048) 6.398 3.083 ( 3.466 0.000 -2.946) 4.549 3.206 ( 0.014 0.000 1.664) 1.664 3.479 ( -2.368 0.000 -3.433) 4.170 3.875 ( -1.995 0.000 -1.758) 2.659 3.935 ( -0.259 0.000 -6.099) 6.105 3.948 ( 1.208 0.000 0.320) 1.249 4.087 ( 2.238 0.000 -4.178) 4.739 4.256 ( 0.436 0.000 -4.110) 4.133 4.422 ( -1.133 0.000 -12.807) 12.857 4.596 ( 1.451 0.000 1.975) 2.451 4.797 ( -2.241 0.000 -0.894) 2.412 5.105 ( 5.323 0.000 -0.107) 5.325 5.158 ( 3.586 0.000 -3.174) 4.788 5.364 ( -3.235 0.000 1.333) 3.498 5.415 ( -0.288 0.000 19.793) 19.795 5.546 ( -7.604 0.000 -5.527) 9.401 6.141 ( -4.107 0.000 -2.110) 4.617 6.172 ( -6.254 0.000 3.087) 6.974 6.205 ( 2.789 0.000 -2.653) 3.849 6.265 ( -2.244 0.000 12.856) 13.050 6.552 ( -0.164 0.000 11.432) 11.433 6.595 ( 2.512 0.000 8.195) 8.571 6.884 ( -3.806 0.000 -10.829) 11.478 7.016 ( -4.595 0.000 11.062) 11.979 7.285 ( -10.656 0.000 -6.425) 12.443 7.307 ( -3.804 0.000 -0.619) 3.854 7.356 ( 5.675 0.000 4.896) 7.495 7.400 ( -0.648 0.000 -11.086) 11.105 7.558 ( 5.086 0.000 -6.543) 8.288 7.682 ( 5.075 0.000 -5.176) 7.249 7.776 ( 8.237 0.000 -5.898) 10.131 8.248 ( 0.640 0.000 7.163) 7.191 8.477 ( 1.474 0.000 4.487) 4.723 8.654 ( 0.083 0.000 7.115) 7.115 8.725 ( -1.327 0.000 -9.591) 9.683 8.850 ( -1.764 0.000 -15.167) 15.269 9.197 ( -0.057 0.000 -17.571) 17.571 9.274 ( 1.280 0.000 -5.827) 5.966 9.315 ( -3.385 0.000 -4.652) 5.753 10.166 ( 0.751 0.000 8.850) 8.882 10.270 ( 0.969 0.000 5.395) 5.482 10.363 ( 0.730 0.000 1.799) 1.942 10.409 ( 0.784 0.000 -3.890) 3.969 10.820 ( -0.250 0.000 -1.380) 1.403 10.843 ( -1.844 0.000 -1.510) 2.383 10.904 ( 0.480 0.000 -3.371) 3.405 10.926 ( -0.426 0.000 -3.201) 3.229 12.044 ( -0.392 0.000 12.471) 12.477 12.327 ( 1.022 0.000 -2.553) 2.750 12.664 ( -0.721 0.000 4.067) 4.130 12.779 ( -4.572 0.000 -1.550) 4.828 14.660 ( -1.515 0.000 2.296) 2.751 14.740 ( -0.461 0.000 -1.521) 1.589 14.873 ( 0.731 0.000 4.845) 4.900 14.960 ( 0.802 0.000 -0.257) 0.842 15.511 ( -1.175 0.000 5.199) 5.330 15.595 ( 1.010 0.000 -0.587) 1.168 15.870 ( 3.473 0.000 5.885) 6.834 16.080 ( -2.071 0.000 -4.104) 4.597 17.078 ( -6.807 0.000 13.998) 15.565 17.500 ( -6.364 0.000 -5.125) 8.171 17.637 ( -0.532 0.000 5.774) 5.798 17.954 ( -7.460 0.000 -6.739) 10.053 18.481 ( 0.807 0.000 1.688) 1.871 18.517 ( 1.588 0.000 5.209) 5.445 18.606 ( -0.401 0.000 -4.044) 4.064 18.722 ( 1.460 0.000 -5.108) 5.313 21.705 ( 3.403 0.000 2.192) 4.048 21.777 ( 1.456 0.000 -0.417) 1.515 21.824 ( 2.828 0.000 4.215) 5.076 22.033 ( 1.391 0.000 -5.660) 5.828 22.185 ( 0.257 0.000 6.195) 6.200 22.441 ( 0.010 0.000 -6.667) 6.667 22.582 ( -1.827 0.000 -2.261) 2.907 22.623 ( -0.301 0.000 -4.451) 4.461 ======================= Grid point 182 (63/90) ======================= q-point: ( 0.22 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( 13.733 0.000 12.175) 18.353 2.176 ( -1.764 0.000 12.443) 12.567 2.226 ( 3.187 0.000 11.541) 11.973 2.400 ( 4.596 0.000 4.086) 6.150 2.593 ( 3.533 0.000 17.215) 17.574 2.642 ( 2.974 0.000 9.554) 10.007 2.979 ( 3.283 0.000 -1.269) 3.519 3.046 ( 3.678 0.000 -4.842) 6.080 3.133 ( 1.485 0.000 -3.776) 4.058 3.147 ( 4.847 0.000 -3.437) 5.942 3.215 ( 1.095 0.000 0.393) 1.163 3.428 ( -2.549 0.000 -0.871) 2.694 3.844 ( -0.860 0.000 -0.657) 1.082 3.932 ( 0.375 0.000 -5.725) 5.737 3.966 ( 0.651 0.000 0.667) 0.932 4.141 ( 2.983 0.000 -6.504) 7.156 4.278 ( 1.981 0.000 -4.425) 4.848 4.402 ( -0.461 0.000 -9.961) 9.971 4.640 ( 2.995 0.000 -2.668) 4.011 4.740 ( -3.600 0.000 -1.165) 3.784 5.217 ( 1.041 0.000 -3.844) 3.982 5.230 ( 6.371 0.000 -3.212) 7.135 5.303 ( -2.245 0.000 -4.476) 5.007 5.409 ( -4.398 0.000 -2.964) 5.304 5.414 ( 1.017 0.000 25.565) 25.585 5.996 ( -9.514 0.000 13.085) 16.179 6.006 ( -9.763 0.000 -0.966) 9.810 6.251 ( -3.864 0.000 4.687) 6.075 6.264 ( 1.416 0.000 -0.306) 1.449 6.472 ( -7.265 0.000 -1.388) 7.396 6.515 ( -10.352 0.000 4.184) 11.166 6.803 ( -4.023 0.000 -10.134) 10.904 6.898 ( -4.078 0.000 6.090) 7.329 7.249 ( 4.939 0.000 3.107) 5.834 7.303 ( 3.878 0.000 -2.372) 4.546 7.416 ( 2.141 0.000 -11.863) 12.055 7.454 ( 4.153 0.000 4.396) 6.047 7.649 ( 4.027 0.000 -6.120) 7.326 7.771 ( 3.436 0.000 1.033) 3.587 7.862 ( 0.603 0.000 -2.022) 2.110 8.279 ( 2.832 0.000 7.548) 8.062 8.528 ( 3.888 0.000 1.134) 4.050 8.640 ( -1.503 0.000 7.945) 8.086 8.703 ( -0.640 0.000 -7.055) 7.084 8.820 ( -1.199 0.000 -13.419) 13.472 9.202 ( 0.489 0.000 -18.192) 18.199 9.220 ( -6.298 0.000 -3.184) 7.057 9.291 ( 0.311 0.000 -7.962) 7.968 10.188 ( 1.538 0.000 8.170) 8.314 10.295 ( 1.594 0.000 4.545) 4.816 10.374 ( 0.178 0.000 1.409) 1.420 10.423 ( 0.465 0.000 -4.200) 4.226 10.818 ( -0.611 0.000 -0.016) 0.611 10.819 ( 0.200 0.000 -0.768) 0.794 10.901 ( -0.648 0.000 -3.777) 3.833 10.912 ( -0.957 0.000 -3.261) 3.399 12.043 ( 0.474 0.000 14.242) 14.250 12.357 ( 2.104 0.000 -2.824) 3.521 12.641 ( -1.687 0.000 2.330) 2.877 12.654 ( -8.118 0.000 2.503) 8.495 14.633 ( -1.025 0.000 3.135) 3.298 14.735 ( 0.128 0.000 -2.003) 2.007 14.872 ( -1.218 0.000 5.208) 5.348 14.969 ( -0.170 0.000 -0.389) 0.425 15.494 ( 0.045 0.000 9.160) 9.161 15.625 ( 2.153 0.000 0.100) 2.155 15.942 ( 2.885 0.000 2.203) 3.629 16.030 ( -2.976 0.000 -2.371) 3.805 16.936 ( -6.348 0.000 14.163) 15.521 17.369 ( -6.548 0.000 -5.814) 8.757 17.592 ( -4.054 0.000 4.281) 5.896 17.769 ( -11.260 0.000 -3.212) 11.710 18.503 ( 1.345 0.000 1.725) 2.187 18.547 ( 1.357 0.000 5.067) 5.245 18.609 ( 0.861 0.000 -3.753) 3.850 18.746 ( 0.816 0.000 -4.989) 5.055 21.793 ( 5.478 0.000 0.148) 5.480 21.822 ( 3.064 0.000 0.296) 3.079 21.889 ( 3.612 0.000 3.011) 4.702 22.065 ( 1.659 0.000 -5.401) 5.650 22.194 ( 0.775 0.000 5.956) 6.006 22.443 ( 0.282 0.000 -6.509) 6.515 22.531 ( -3.402 0.000 -1.333) 3.654 22.610 ( -1.168 0.000 -5.121) 5.252 ======================= Grid point 183 (64/90) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.172 ( 2.131 0.000 11.272) 11.472 2.278 ( 5.122 0.000 8.809) 10.190 2.310 ( 5.260 0.000 13.208) 14.217 2.482 ( 3.320 0.000 2.119) 3.939 2.627 ( 0.564 0.000 13.749) 13.760 2.694 ( 1.810 0.000 7.839) 8.045 3.044 ( 2.671 0.000 -1.361) 2.998 3.115 ( 1.518 0.000 0.524) 1.607 3.172 ( 4.724 0.000 -6.995) 8.440 3.241 ( 3.943 0.000 0.183) 3.948 3.250 ( 2.615 0.000 -1.527) 3.029 3.387 ( -1.920 0.000 0.221) 1.933 3.852 ( 1.683 0.000 0.739) 1.838 3.969 ( -0.468 0.000 1.860) 1.918 3.970 ( 4.073 0.000 -5.411) 6.773 4.185 ( 1.189 0.000 -7.837) 7.927 4.338 ( 4.389 0.000 -4.609) 6.364 4.423 ( 3.083 0.000 -8.970) 9.485 4.662 ( -4.454 0.000 -2.366) 5.044 4.695 ( 1.713 0.000 -7.041) 7.247 5.189 ( -0.971 0.000 -2.131) 2.342 5.268 ( 0.381 0.000 -7.623) 7.632 5.343 ( 4.637 0.000 5.531) 7.217 5.420 ( 4.108 0.000 -2.254) 4.685 5.473 ( 3.202 0.000 13.834) 14.200 5.782 ( -13.012 0.000 0.085) 13.012 5.835 ( -5.763 0.000 17.583) 18.503 6.071 ( -14.444 0.000 3.190) 14.792 6.093 ( -16.770 0.000 -0.354) 16.774 6.254 ( -13.803 0.000 1.727) 13.911 6.465 ( 5.283 0.000 -11.104) 12.296 6.734 ( -3.377 0.000 -10.675) 11.197 6.959 ( 8.617 0.000 9.130) 12.555 7.345 ( 3.054 0.000 5.623) 6.399 7.422 ( 7.297 0.000 -0.749) 7.336 7.477 ( 4.124 0.000 -11.223) 11.956 7.518 ( 3.056 0.000 3.232) 4.448 7.703 ( 1.430 0.000 -6.393) 6.551 7.795 ( -1.122 0.000 3.045) 3.245 7.813 ( -4.949 0.000 1.423) 5.149 8.361 ( 5.574 0.000 7.527) 9.366 8.609 ( -1.544 0.000 9.283) 9.410 8.613 ( 4.425 0.000 -1.849) 4.796 8.705 ( 0.708 0.000 -3.681) 3.748 8.804 ( -0.345 0.000 -10.426) 10.432 9.082 ( -7.838 0.000 -2.137) 8.125 9.212 ( 0.505 0.000 -18.414) 18.421 9.285 ( -0.882 0.000 -11.204) 11.239 10.225 ( 2.286 0.000 6.957) 7.323 10.330 ( 2.044 0.000 2.991) 3.623 10.364 ( -1.311 0.000 1.716) 2.159 10.424 ( -0.428 0.000 -3.517) 3.543 10.821 ( 0.793 0.000 0.553) 0.966 10.827 ( 0.582 0.000 -0.566) 0.811 10.884 ( -1.076 0.000 -3.287) 3.459 10.890 ( -1.347 0.000 -2.731) 3.045 12.072 ( 2.854 0.000 15.444) 15.705 12.407 ( 3.069 0.000 -3.050) 4.327 12.480 ( -9.602 0.000 7.512) 12.192 12.599 ( -2.688 0.000 0.106) 2.690 14.628 ( 0.728 0.000 3.966) 4.032 14.751 ( 1.696 0.000 -2.375) 2.919 14.821 ( -3.920 0.000 5.681) 6.902 14.944 ( -2.570 0.000 -1.111) 2.800 15.531 ( 3.956 0.000 10.993) 11.683 15.682 ( 3.880 0.000 0.778) 3.957 15.935 ( -4.143 0.000 5.090) 6.563 15.966 ( -3.802 0.000 0.044) 3.802 16.897 ( 3.199 0.000 9.302) 9.837 17.274 ( -2.749 0.000 -5.878) 6.489 17.489 ( -6.344 0.000 1.779) 6.589 17.534 ( -12.952 0.000 -1.221) 13.009 18.530 ( 1.398 0.000 2.389) 2.768 18.565 ( 0.567 0.000 4.730) 4.764 18.638 ( 2.075 0.000 -3.548) 4.110 18.749 ( -0.560 0.000 -4.611) 4.645 21.887 ( 3.453 0.000 0.854) 3.557 21.904 ( 5.790 0.000 -1.724) 6.041 21.950 ( 2.420 0.000 2.113) 3.212 22.086 ( 0.350 0.000 -4.851) 4.864 22.220 ( 2.070 0.000 5.244) 5.638 22.454 ( -4.482 0.000 0.019) 4.482 22.455 ( 1.026 0.000 -6.302) 6.385 22.577 ( -2.157 0.000 -5.642) 6.040 ======================= Grid point 184 (65/90) ======================= q-point: ( 0.44 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.236 ( 3.992 0.000 9.667) 10.459 2.300 ( -1.947 0.000 8.595) 8.813 2.414 ( 5.253 0.000 12.520) 13.577 2.494 ( -2.417 0.000 9.247) 9.558 2.653 ( 2.551 0.000 5.421) 5.992 2.698 ( -1.394 0.000 5.298) 5.478 3.084 ( 1.753 0.000 -2.074) 2.715 3.112 ( -1.029 0.000 -0.965) 1.411 3.274 ( 4.620 0.000 -2.402) 5.207 3.288 ( 1.587 0.000 0.413) 1.640 3.296 ( 0.973 0.000 -0.555) 1.120 3.344 ( -2.766 0.000 -0.529) 2.817 3.899 ( 2.781 0.000 2.518) 3.752 3.946 ( -1.927 0.000 2.819) 3.414 4.079 ( 6.227 0.000 -6.460) 8.972 4.171 ( -2.831 0.000 -7.826) 8.323 4.446 ( 6.556 0.000 -4.539) 7.974 4.524 ( 7.067 0.000 -9.042) 11.477 4.567 ( -5.588 0.000 -3.604) 6.650 4.659 ( -5.598 0.000 -9.140) 10.718 5.274 ( 10.070 0.000 0.628) 10.089 5.306 ( 4.097 0.000 1.308) 4.300 5.426 ( -7.063 0.000 5.078) 8.699 5.487 ( 10.851 0.000 1.253) 10.924 5.520 ( -13.386 0.000 -0.129) 13.387 5.539 ( 7.933 0.000 -2.983) 8.476 5.754 ( -16.426 0.000 -0.456) 16.433 5.766 ( -15.312 0.000 -4.669) 16.008 5.855 ( 7.011 0.000 16.989) 18.379 6.028 ( -10.227 0.000 9.832) 14.187 6.575 ( 5.467 0.000 -11.614) 12.836 6.666 ( -3.962 0.000 -11.508) 12.171 7.155 ( 10.434 0.000 8.423) 13.410 7.319 ( -5.729 0.000 7.265) 9.253 7.545 ( 4.669 0.000 -0.693) 4.721 7.558 ( 3.258 0.000 -9.225) 9.784 7.596 ( 5.018 0.000 2.450) 5.584 7.702 ( -5.965 0.000 2.480) 6.460 7.709 ( -0.229 0.000 -5.461) 5.466 7.741 ( -3.555 0.000 0.747) 3.632 8.476 ( 5.837 0.000 8.244) 10.101 8.567 ( -3.322 0.000 9.944) 10.485 8.684 ( 2.763 0.000 -2.099) 3.469 8.714 ( -0.303 0.000 -1.761) 1.787 8.827 ( 3.384 0.000 -6.760) 7.560 8.933 ( -7.157 0.000 -2.877) 7.713 9.228 ( 1.298 0.000 -17.503) 17.551 9.259 ( -1.719 0.000 -14.879) 14.978 10.274 ( 2.771 0.000 5.211) 5.901 10.326 ( -2.490 0.000 3.219) 4.069 10.371 ( 2.099 0.000 0.771) 2.236 10.406 ( -1.414 0.000 -1.658) 2.179 10.841 ( 1.161 0.000 -0.342) 1.210 10.841 ( 0.920 0.000 -0.968) 1.335 10.863 ( -1.084 0.000 -1.970) 2.249 10.863 ( -1.333 0.000 -1.791) 2.232 12.157 ( 6.026 0.000 14.798) 15.978 12.301 ( -8.694 0.000 11.969) 14.793 12.472 ( 3.554 0.000 -2.836) 4.547 12.540 ( -3.388 0.000 -1.792) 3.832 14.663 ( 2.908 0.000 4.816) 5.626 14.736 ( -4.435 0.000 5.531) 7.090 14.801 ( 3.458 0.000 -2.430) 4.227 14.877 ( -4.066 0.000 -1.989) 4.526 15.643 ( 7.505 0.000 11.288) 13.555 15.773 ( 5.425 0.000 1.401) 5.603 15.803 ( -8.496 0.000 9.694) 12.890 15.879 ( -5.245 0.000 1.444) 5.441 17.043 ( 10.886 0.000 3.257) 11.363 17.275 ( 2.707 0.000 -4.247) 5.037 17.280 ( -13.201 0.000 0.283) 13.204 17.365 ( -6.134 0.000 -1.341) 6.279 18.554 ( 1.053 0.000 3.267) 3.433 18.568 ( -0.338 0.000 4.100) 4.114 18.683 ( 2.420 0.000 -3.671) 4.397 18.725 ( -1.817 0.000 -4.093) 4.478 21.945 ( 2.427 0.000 1.402) 2.803 21.972 ( -0.216 0.000 1.725) 1.738 22.005 ( 4.515 0.000 -3.105) 5.480 22.070 ( -2.137 0.000 -4.093) 4.618 22.278 ( 3.918 0.000 3.632) 5.342 22.364 ( -4.785 0.000 1.701) 5.078 22.485 ( 2.071 0.000 -6.101) 6.443 22.531 ( -2.570 0.000 -5.919) 6.453 ======================= Grid point 189 (66/90) ======================= q-point: ( 0.00 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( 0.000 4.167 20.542) 20.960 2.077 ( 0.000 -13.330 18.291) 22.632 2.174 ( 0.000 -0.346 4.628) 4.641 2.265 ( 0.000 -3.309 14.304) 14.682 2.531 ( 0.000 -0.310 7.662) 7.668 2.574 ( 0.000 2.435 18.031) 18.195 2.948 ( 0.000 0.041 -2.110) 2.110 2.974 ( 0.000 -0.379 -0.414) 0.562 3.070 ( 0.000 3.622 -4.231) 5.570 3.126 ( 0.000 6.119 -10.812) 12.424 3.176 ( 0.000 -2.206 2.025) 2.994 3.434 ( 0.000 -6.003 -9.067) 10.874 3.921 ( 0.000 -0.840 -3.470) 3.570 3.924 ( 0.000 -0.387 2.312) 2.344 3.939 ( 0.000 2.492 -4.721) 5.338 4.043 ( 0.000 -1.957 -2.857) 3.463 4.293 ( 0.000 3.759 -3.264) 4.979 4.521 ( 0.000 -5.344 2.158) 5.763 4.544 ( 0.000 8.887 -16.364) 18.622 4.807 ( 0.000 -1.927 -5.455) 5.786 5.111 ( 0.000 5.694 1.408) 5.866 5.171 ( 0.000 5.102 2.118) 5.524 5.365 ( 0.000 -4.251 -1.789) 4.612 5.510 ( 0.000 9.679 23.299) 25.230 5.531 ( 0.000 -8.667 -2.618) 9.054 6.126 ( 0.000 -16.784 16.189) 23.319 6.170 ( 0.000 0.264 -4.198) 4.206 6.178 ( 0.000 -0.306 1.954) 1.978 6.264 ( 0.000 3.383 6.213) 7.075 6.399 ( 0.000 -1.415 6.470) 6.623 6.809 ( 0.000 12.069 1.955) 12.226 6.937 ( 0.000 1.210 -11.820) 11.882 7.064 ( 0.000 -1.496 10.275) 10.383 7.197 ( 0.000 -6.027 3.318) 6.879 7.323 ( 0.000 -3.667 -6.370) 7.350 7.361 ( 0.000 -2.388 2.861) 3.726 7.492 ( 0.000 2.376 -4.170) 4.799 7.553 ( 0.000 0.631 -6.755) 6.784 7.681 ( 0.000 5.065 -5.133) 7.211 7.702 ( 0.000 5.836 -10.982) 12.436 8.247 ( 0.000 0.338 5.817) 5.827 8.349 ( 0.000 -6.523 6.222) 9.014 8.719 ( 0.000 -1.624 -11.631) 11.744 8.735 ( 0.000 1.099 -4.328) 4.466 8.870 ( 0.000 4.027 -6.445) 7.600 9.175 ( 0.000 -6.393 -0.874) 6.452 9.251 ( 0.000 3.958 -15.535) 16.031 9.362 ( 0.000 -0.058 -8.391) 8.391 10.190 ( 0.000 2.871 8.108) 8.602 10.278 ( 0.000 1.442 4.738) 4.952 10.334 ( 0.000 -1.834 2.922) 3.450 10.381 ( 0.000 -1.768 -1.951) 2.633 10.826 ( 0.000 0.303 -1.583) 1.612 10.869 ( 0.000 -1.457 -1.343) 1.982 10.887 ( 0.000 1.104 -4.232) 4.373 10.928 ( 0.000 -0.356 -4.090) 4.106 12.147 ( 0.000 9.136 10.020) 13.560 12.367 ( 0.000 4.701 -1.701) 4.999 12.602 ( 0.000 -6.479 3.997) 7.613 12.705 ( 0.000 -10.366 -1.133) 10.427 14.692 ( 0.000 2.243 3.837) 4.444 14.802 ( 0.000 4.041 -1.571) 4.336 14.835 ( 0.000 -2.594 5.077) 5.702 14.932 ( 0.000 -1.762 -0.467) 1.823 15.550 ( 0.000 3.068 4.046) 5.078 15.675 ( 0.000 7.699 -3.189) 8.333 15.773 ( 0.000 -5.358 8.569) 10.106 16.031 ( 0.000 -6.442 -5.010) 8.161 17.246 ( 0.000 8.503 12.082) 14.774 17.580 ( 0.000 -4.344 10.087) 10.982 17.616 ( 0.000 3.525 -8.060) 8.797 17.929 ( 0.000 -8.938 -7.703) 11.799 18.468 ( 0.000 -0.050 3.640) 3.640 18.491 ( 0.000 -0.584 5.208) 5.241 18.638 ( 0.000 1.826 -4.826) 5.160 18.696 ( 0.000 -0.770 -5.120) 5.178 21.686 ( 0.000 1.403 3.373) 3.653 21.772 ( 0.000 -1.932 5.100) 5.453 21.781 ( 0.000 1.547 -1.613) 2.235 21.922 ( 0.000 -5.592 -1.645) 5.829 22.315 ( 0.000 8.719 0.682) 8.746 22.470 ( 0.000 2.618 -5.850) 6.409 22.571 ( 0.000 -2.861 -2.611) 3.874 22.599 ( 0.000 -2.444 -4.172) 4.835 ======================= Grid point 190 (67/90) ======================= q-point: ( 0.11 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( 10.325 1.103 18.246) 20.994 2.050 ( -0.185 -7.940 17.100) 18.855 2.255 ( 5.644 -0.770 4.247) 7.105 2.306 ( 3.772 -2.414 12.126) 12.926 2.544 ( -1.557 1.662 17.678) 17.824 2.561 ( 2.684 -1.037 9.326) 9.760 2.943 ( 0.091 -0.575 -0.975) 1.135 3.035 ( 4.652 2.031 -0.679) 5.122 3.092 ( 2.260 2.384 -4.792) 5.810 3.128 ( 0.592 4.381 -8.407) 9.499 3.181 ( 0.422 -1.488 0.632) 1.671 3.424 ( -1.010 -5.063 -8.281) 9.759 3.885 ( -2.225 0.303 0.007) 2.245 3.924 ( -0.503 -0.044 -5.553) 5.576 3.951 ( 0.745 -0.098 0.020) 0.752 4.065 ( 2.045 -1.642 -3.900) 4.700 4.292 ( 0.095 3.533 -3.131) 4.721 4.488 ( -2.126 0.656 -3.841) 4.439 4.574 ( 1.899 2.617 -9.978) 10.488 4.795 ( -1.291 -1.103 -4.787) 5.080 5.141 ( 2.970 3.603 0.549) 4.702 5.199 ( 2.418 3.891 1.337) 4.772 5.331 ( -3.607 -3.367 -2.060) 5.347 5.435 ( -3.241 -0.301 6.974) 7.696 5.574 ( 0.625 3.866 12.780) 13.367 5.960 ( -9.078 -11.282 14.063) 20.186 6.161 ( -1.606 -0.101 1.490) 2.193 6.180 ( -2.137 0.057 -3.024) 3.703 6.386 ( 0.794 -6.152 9.993) 11.762 6.404 ( 6.842 3.348 2.181) 7.923 6.762 ( -7.637 6.368 2.633) 10.286 6.902 ( -3.816 1.882 -9.719) 10.609 7.011 ( -1.118 1.047 7.762) 7.912 7.253 ( -0.726 -2.490 1.090) 2.813 7.263 ( -4.085 -1.371 -4.321) 6.102 7.360 ( 1.611 -1.980 1.342) 2.884 7.456 ( -4.847 2.919 -8.090) 9.872 7.536 ( 4.832 -0.050 -7.258) 8.720 7.654 ( 4.998 -1.225 -0.818) 5.210 7.869 ( 5.276 5.562 -6.988) 10.373 8.254 ( 1.025 0.648 6.278) 6.394 8.368 ( 2.050 -6.230 5.882) 8.810 8.702 ( -1.407 -1.317 -10.712) 10.884 8.746 ( 0.788 1.815 -1.580) 2.532 8.853 ( -1.416 3.468 -8.729) 9.499 9.170 ( -0.720 -5.040 -2.975) 5.896 9.256 ( 0.257 2.397 -14.259) 14.462 9.340 ( -2.037 0.306 -8.246) 8.500 10.192 ( 0.185 2.365 8.307) 8.639 10.291 ( 1.176 1.368 4.350) 4.709 10.337 ( 0.427 -1.701 2.682) 3.205 10.400 ( 1.644 -1.201 -2.325) 3.091 10.812 ( -1.206 -0.603 -1.129) 1.758 10.851 ( -1.517 0.631 -2.462) 2.960 10.887 ( 0.161 -1.086 -2.657) 2.875 10.935 ( 0.264 0.470 -4.378) 4.411 12.136 ( -0.981 8.609 10.922) 13.942 12.372 ( 0.494 4.096 -1.701) 4.463 12.595 ( -0.962 -6.882 3.735) 7.889 12.675 ( -2.823 -8.544 -0.167) 9.000 14.678 ( -1.272 2.185 3.900) 4.648 14.786 ( -1.212 3.264 -1.253) 3.700 14.845 ( 0.580 -2.439 4.831) 5.443 14.945 ( 1.082 -1.371 -0.575) 1.839 15.529 ( -1.758 1.915 6.851) 7.327 15.674 ( 0.140 6.593 -1.699) 6.810 15.824 ( 4.306 -3.639 4.404) 7.154 16.020 ( -0.923 -5.502 -4.654) 7.265 17.153 ( -8.708 6.265 13.070) 16.909 17.509 ( -7.042 0.776 -2.728) 7.592 17.602 ( -1.058 -3.275 4.930) 6.013 17.896 ( -3.951 -4.534 -6.774) 9.058 18.474 ( 0.895 -0.357 2.799) 2.960 18.513 ( 1.690 -0.315 5.207) 5.483 18.621 ( -1.036 1.024 -4.350) 4.587 18.719 ( 1.688 -0.217 -5.227) 5.497 21.716 ( 3.118 1.075 2.587) 4.191 21.787 ( 1.768 0.315 1.969) 2.665 21.812 ( 2.861 -0.320 1.129) 3.093 21.941 ( 1.855 -5.438 -1.724) 5.999 22.302 ( -1.242 7.437 1.243) 7.641 22.466 ( -0.343 2.195 -5.696) 6.114 22.557 ( -1.438 -2.297 -2.423) 3.635 22.603 ( 0.224 -1.852 -4.666) 5.025 ======================= Grid point 191 (68/90) ======================= q-point: ( 0.22 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( 8.903 -4.399 15.848) 18.703 2.108 ( 6.516 -1.823 13.746) 15.321 2.344 ( 3.236 4.744 6.231) 8.474 2.397 ( 5.827 -0.322 4.625) 7.447 2.547 ( 1.758 -2.257 17.733) 17.962 2.619 ( 2.759 -2.090 9.546) 10.154 2.969 ( 2.866 -0.821 0.856) 3.101 3.108 ( 2.734 4.687 -4.086) 6.793 3.138 ( 1.450 0.753 -4.483) 4.772 3.168 ( 3.738 1.011 -3.962) 5.540 3.199 ( 2.020 -0.423 0.525) 2.129 3.397 ( -1.672 -3.208 -5.434) 6.528 3.851 ( -1.005 0.493 0.030) 1.119 3.924 ( 0.964 -0.449 -5.517) 5.618 3.964 ( 0.588 -0.405 0.475) 0.857 4.113 ( 2.841 -2.000 -5.771) 6.736 4.307 ( 1.666 3.061 -3.182) 4.719 4.454 ( -1.032 2.184 -4.367) 4.991 4.611 ( 1.909 -0.172 -8.959) 9.161 4.756 ( -2.784 0.354 -4.226) 5.073 5.197 ( 0.256 -2.115 -3.543) 4.134 5.227 ( 0.210 0.519 -0.674) 0.876 5.279 ( 1.419 -0.255 1.723) 2.246 5.414 ( 0.903 1.867 0.377) 2.108 5.553 ( -2.029 7.404 15.984) 17.732 5.813 ( -6.395 -10.769 16.694) 20.870 6.064 ( -7.756 2.629 -1.894) 8.405 6.166 ( -0.447 -0.642 -0.856) 1.160 6.359 ( -2.933 -1.264 6.828) 7.539 6.448 ( -6.105 -1.341 -2.926) 6.901 6.525 ( -15.175 -0.091 2.361) 15.358 6.819 ( -4.038 1.790 -9.742) 10.696 6.945 ( -3.759 5.152 5.245) 8.257 7.214 ( 3.390 -2.873 2.562) 5.129 7.305 ( 4.981 0.589 -2.742) 5.716 7.403 ( 2.961 -0.318 -5.326) 6.102 7.499 ( 5.238 1.189 -1.163) 5.496 7.638 ( 4.926 0.065 -5.726) 7.553 7.743 ( 3.762 -2.202 1.779) 4.708 7.884 ( -3.008 1.309 -2.346) 4.033 8.293 ( 3.059 1.152 6.704) 7.459 8.426 ( 3.603 -5.388 4.694) 8.002 8.679 ( -0.664 0.602 -7.011) 7.068 8.755 ( -0.055 1.673 0.309) 1.702 8.828 ( -0.972 3.387 -10.666) 11.233 9.134 ( -3.428 -4.939 -3.329) 6.872 9.249 ( -1.033 1.880 -15.545) 15.692 9.303 ( -1.455 0.310 -8.808) 8.932 10.199 ( 0.575 1.234 8.430) 8.539 10.316 ( 1.076 -0.493 3.739) 3.922 10.351 ( 1.033 0.641 2.118) 2.442 10.432 ( 1.378 -0.127 -3.352) 3.626 10.790 ( -0.843 -1.461 -0.422) 1.738 10.831 ( -0.372 0.158 -1.818) 1.863 10.888 ( -0.146 -0.537 -2.518) 2.579 10.929 ( -0.933 0.788 -3.952) 4.137 12.117 ( -0.728 6.978 13.006) 14.777 12.387 ( 1.118 2.537 -1.557) 3.180 12.542 ( -5.003 -8.322 4.906) 10.879 12.623 ( -1.964 -3.134 0.207) 3.704 14.653 ( -1.096 1.941 4.058) 4.630 14.766 ( -0.658 2.376 -1.574) 2.925 14.842 ( -1.104 -2.482 5.267) 5.927 14.960 ( 0.148 -0.835 -1.036) 1.339 15.505 ( -0.171 0.957 10.053) 10.100 15.684 ( 0.928 5.091 -0.631) 5.214 15.894 ( 1.770 -3.945 2.275) 4.885 16.010 ( 0.071 -1.934 -3.785) 4.252 16.972 ( -8.188 2.900 13.976) 16.456 17.364 ( -6.955 -0.369 -5.076) 8.619 17.555 ( -4.097 -2.948 5.823) 7.706 17.770 ( -8.961 -0.005 -4.754) 10.144 18.500 ( 1.604 -0.151 2.040) 2.599 18.544 ( 1.424 -0.190 5.090) 5.289 18.614 ( 0.512 0.385 -3.755) 3.810 18.745 ( 0.833 -0.060 -5.071) 5.139 21.798 ( 5.091 0.457 0.918) 5.193 21.837 ( 3.276 1.328 0.870) 3.641 21.880 ( 3.867 -0.595 1.349) 4.138 21.987 ( 2.647 -4.892 -1.990) 5.907 22.276 ( -1.148 5.037 2.324) 5.664 22.459 ( -0.465 1.227 -5.001) 5.170 22.517 ( -2.606 -1.200 -2.234) 3.637 22.599 ( -0.751 -0.879 -5.421) 5.543 ======================= Grid point 192 (69/90) ======================= q-point: ( 0.33 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( 5.576 -0.555 13.704) 14.805 2.242 ( 5.446 -2.748 9.900) 11.628 2.403 ( 3.156 6.284 7.329) 10.157 2.498 ( 3.562 1.293 3.870) 5.416 2.589 ( 2.329 -3.040 12.247) 12.832 2.656 ( 1.109 -3.205 7.924) 8.619 3.041 ( 3.769 -0.260 0.935) 3.892 3.137 ( -0.364 1.020 -1.463) 1.820 3.164 ( 2.662 0.467 -4.998) 5.682 3.237 ( 2.641 -1.147 -1.951) 3.478 3.260 ( 3.782 1.330 0.455) 4.035 3.364 ( -1.579 -1.994 -1.316) 2.864 3.855 ( 1.425 0.252 0.909) 1.709 3.964 ( 0.291 -0.222 -0.492) 0.613 3.981 ( 4.179 0.676 -4.149) 5.927 4.166 ( 2.184 -1.687 -7.620) 8.105 4.363 ( 4.216 2.608 -3.575) 6.112 4.461 ( 1.975 2.196 -4.698) 5.550 4.633 ( -0.575 -1.394 -6.206) 6.386 4.699 ( -2.471 0.043 -6.645) 7.089 5.191 ( 1.401 -0.154 -1.137) 1.811 5.215 ( 0.054 -2.625 -5.719) 6.293 5.370 ( 5.213 1.622 4.731) 7.224 5.438 ( 0.575 0.111 1.469) 1.582 5.532 ( 0.727 4.192 8.581) 9.578 5.703 ( -5.153 -5.923 13.729) 15.815 5.889 ( -10.080 5.644 -1.715) 11.680 6.060 ( -10.553 3.210 5.413) 12.287 6.138 ( -19.619 -0.505 -2.333) 19.763 6.244 ( -12.108 -1.455 4.018) 12.841 6.406 ( 5.145 -5.329 -6.546) 9.886 6.746 ( -3.957 1.002 -10.251) 11.034 6.979 ( 5.703 2.168 6.683) 9.049 7.285 ( 1.759 -4.254 5.604) 7.253 7.411 ( 5.313 -1.035 -6.738) 8.643 7.492 ( 5.900 2.698 -2.700) 7.027 7.594 ( 4.685 3.553 0.346) 5.890 7.700 ( 0.816 0.209 -4.758) 4.831 7.786 ( -0.367 -0.705 2.291) 2.425 7.805 ( -2.726 -0.953 0.523) 2.935 8.371 ( 4.904 0.764 7.498) 8.992 8.488 ( 2.653 -5.079 6.002) 8.297 8.680 ( 0.443 1.460 -3.774) 4.071 8.740 ( -1.468 0.575 -0.485) 1.650 8.823 ( 0.647 3.561 -8.658) 9.384 9.039 ( -5.907 -3.689 -2.517) 7.405 9.231 ( -0.599 1.385 -17.477) 17.542 9.279 ( -1.316 -0.561 -11.575) 11.663 10.215 ( 1.208 -0.154 7.938) 8.031 10.318 ( -0.898 -2.754 4.047) 4.977 10.381 ( 1.939 3.353 0.697) 3.935 10.446 ( 0.121 0.964 -3.976) 4.093 10.787 ( 0.668 -1.928 0.267) 2.058 10.836 ( 0.837 -0.038 -1.561) 1.772 10.882 ( -0.437 0.272 -2.359) 2.414 10.901 ( -1.889 0.518 -2.645) 3.291 12.119 ( 1.105 4.323 14.840) 15.497 12.383 ( -4.300 -4.297 6.533) 8.924 12.456 ( -0.595 0.018 0.315) 0.673 12.588 ( -1.975 -1.030 -1.286) 2.572 14.643 ( 0.274 1.318 4.375) 4.577 14.767 ( 0.631 1.087 -1.256) 1.777 14.800 ( -2.907 -1.547 4.798) 5.820 14.940 ( -2.265 -0.314 -1.910) 2.979 15.538 ( 3.736 0.557 11.405) 12.015 15.715 ( 2.489 2.905 0.422) 3.849 15.883 ( -2.550 -3.479 4.764) 6.426 15.984 ( -3.947 0.436 -0.093) 3.972 16.907 ( 2.341 0.763 9.516) 9.829 17.268 ( -2.567 -0.446 -5.471) 6.060 17.444 ( -7.526 -2.545 3.587) 8.716 17.572 ( -10.967 1.859 -3.246) 11.587 18.530 ( 1.439 0.043 2.424) 2.819 18.564 ( 0.615 -0.106 4.740) 4.781 18.640 ( 1.972 0.094 -3.515) 4.032 18.748 ( -0.562 -0.057 -4.633) 4.668 21.895 ( 4.202 0.204 0.621) 4.252 21.908 ( 4.295 1.040 -0.440) 4.441 21.949 ( 3.109 -0.054 0.675) 3.182 22.033 ( 1.929 -3.751 -2.679) 4.997 22.265 ( 0.115 2.844 3.322) 4.374 22.431 ( -3.090 -0.994 -0.465) 3.279 22.480 ( -0.362 1.123 -5.493) 5.618 22.573 ( -1.912 -0.348 -5.836) 6.151 ======================= Grid point 193 (70/90) ======================= q-point: ( 0.44 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( 4.092 0.721 10.272) 11.081 2.291 ( -0.420 -0.890 8.966) 9.020 2.467 ( 3.339 4.514 8.641) 10.305 2.516 ( -1.327 2.113 8.535) 8.892 2.634 ( 2.234 -1.998 4.987) 5.818 2.663 ( -0.543 -3.213 5.698) 6.564 3.093 ( 1.844 0.881 -1.609) 2.601 3.122 ( -1.196 0.861 -1.900) 2.405 3.218 ( 2.698 -2.990 -0.609) 4.073 3.255 ( -0.803 -3.032 -1.111) 3.327 3.320 ( 2.112 0.996 0.848) 2.484 3.343 ( -0.704 -0.189 1.165) 1.374 3.897 ( 2.645 -0.061 1.942) 3.282 3.944 ( -1.906 -0.178 1.666) 2.537 4.095 ( 6.046 1.160 -6.753) 9.138 4.174 ( -1.789 0.018 -8.146) 8.340 4.461 ( 5.510 1.543 -3.040) 6.479 4.524 ( 2.587 -0.316 -2.897) 3.896 4.587 ( -1.709 1.862 -6.467) 6.944 4.650 ( -3.907 -0.993 -8.702) 9.590 5.242 ( 4.588 -1.636 1.081) 4.989 5.314 ( 9.935 -0.365 -2.573) 10.269 5.359 ( -6.011 -3.298 8.698) 11.075 5.496 ( 4.986 1.556 0.685) 5.268 5.546 ( -6.569 0.965 -3.078) 7.318 5.601 ( -0.726 -0.079 -1.255) 1.453 5.733 ( -5.082 1.501 -1.992) 5.661 5.775 ( -13.658 2.455 -4.333) 14.538 5.929 ( -0.512 4.868 14.035) 14.865 6.037 ( -9.370 0.374 11.385) 14.750 6.538 ( 7.207 -3.523 -9.606) 12.515 6.659 ( -5.264 -0.675 -10.887) 12.111 7.112 ( 7.522 -2.449 7.510) 10.908 7.245 ( -5.448 -4.943 7.438) 10.461 7.509 ( 4.853 -2.077 -7.360) 9.057 7.574 ( 0.149 0.504 -6.236) 6.258 7.675 ( 1.868 2.014 -0.970) 2.913 7.681 ( 1.146 3.268 3.580) 4.981 7.758 ( -0.503 1.804 0.113) 1.876 7.784 ( -1.853 3.195 0.101) 3.695 8.467 ( 4.518 -0.647 8.953) 10.049 8.517 ( -0.208 -3.394 9.490) 10.081 8.684 ( 0.290 -0.220 -2.234) 2.264 8.706 ( -1.741 -0.870 -1.568) 2.499 8.856 ( 2.818 2.450 -6.183) 7.223 8.931 ( -4.942 -0.478 -3.982) 6.364 9.230 ( 0.550 0.186 -17.261) 17.271 9.251 ( -1.466 -0.661 -15.041) 15.127 10.246 ( 1.991 -1.483 6.782) 7.222 10.287 ( -2.064 -2.431 5.285) 6.173 10.416 ( 1.562 2.912 -1.350) 3.569 10.439 ( -0.825 1.887 -3.214) 3.817 10.813 ( 1.935 -1.434 0.066) 2.409 10.854 ( -0.831 0.129 -1.130) 1.409 10.858 ( -0.394 -0.052 -1.742) 1.787 10.874 ( -0.768 0.678 -2.026) 2.270 12.166 ( 3.870 0.903 15.081) 15.596 12.265 ( -6.219 -2.874 13.082) 14.767 12.491 ( 2.715 1.335 -2.906) 4.195 12.544 ( -2.628 0.292 -2.559) 3.679 14.667 ( 2.214 0.330 4.946) 5.429 14.725 ( -3.593 -0.837 5.567) 6.679 14.811 ( 2.951 0.691 -2.662) 4.033 14.879 ( -3.779 0.165 -2.619) 4.601 15.645 ( 7.118 0.116 11.505) 13.529 15.776 ( 0.484 0.060 5.035) 5.058 15.798 ( -3.069 -0.177 5.774) 6.541 15.880 ( -5.541 0.048 1.926) 5.866 17.042 ( 10.386 -0.094 3.493) 10.958 17.258 ( -9.491 -1.127 0.727) 9.585 17.277 ( 1.374 -0.124 -3.510) 3.771 17.383 ( -7.886 1.222 -2.736) 8.436 18.554 ( 1.014 0.025 3.270) 3.423 18.567 ( -0.295 -0.039 4.106) 4.117 18.683 ( 2.379 0.002 -3.654) 4.360 18.725 ( -1.797 -0.044 -4.088) 4.465 21.954 ( 2.084 0.690 1.137) 2.472 21.969 ( 0.853 -0.105 0.639) 1.071 22.006 ( 3.192 0.035 -2.182) 3.867 22.048 ( -0.729 -1.831 -3.302) 3.845 22.290 ( 2.594 0.843 3.328) 4.303 22.357 ( -4.080 -0.478 1.812) 4.490 22.494 ( 1.505 0.688 -6.129) 6.348 22.531 ( -2.242 0.061 -6.021) 6.425 ======================= Grid point 198 (71/90) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( 0.000 -9.135 20.166) 22.139 1.837 ( 0.000 9.135 20.166) 22.139 2.195 ( 0.000 -2.661 12.576) 12.854 2.195 ( 0.000 2.661 12.576) 12.854 2.556 ( 0.000 -2.337 10.623) 10.877 2.556 ( 0.000 2.337 10.623) 10.877 2.961 ( 0.000 -0.313 -2.119) 2.142 2.961 ( 0.000 0.313 -2.119) 2.142 3.131 ( 0.000 -2.226 0.187) 2.234 3.131 ( 0.000 2.226 0.187) 2.234 3.285 ( 0.000 -8.076 -12.332) 14.741 3.285 ( 0.000 8.076 -12.332) 14.741 3.915 ( 0.000 -0.108 0.074) 0.131 3.915 ( 0.000 0.108 0.074) 0.131 3.993 ( 0.000 -2.348 -3.486) 4.203 3.993 ( 0.000 2.348 -3.486) 4.203 4.398 ( 0.000 -6.041 -1.318) 6.183 4.398 ( 0.000 6.041 -1.318) 6.183 4.718 ( 0.000 -6.880 -14.302) 15.871 4.718 ( 0.000 6.880 -14.302) 15.871 5.250 ( 0.000 -6.664 1.936) 6.940 5.250 ( 0.000 6.664 1.936) 6.940 5.328 ( 0.000 -9.867 3.281) 10.398 5.328 ( 0.000 9.867 3.281) 10.398 5.777 ( 0.000 -15.479 21.312) 26.340 5.777 ( 0.000 15.479 21.312) 26.340 6.173 ( 0.000 -0.067 0.294) 0.301 6.173 ( 0.000 0.067 0.294) 0.301 6.349 ( 0.000 -2.963 4.079) 5.042 6.349 ( 0.000 2.963 4.079) 5.042 6.959 ( 0.000 -0.314 -13.179) 13.183 6.959 ( 0.000 0.314 -13.179) 13.183 7.070 ( 0.000 -4.055 8.247) 9.190 7.070 ( 0.000 4.055 8.247) 9.190 7.311 ( 0.000 -1.632 0.613) 1.744 7.311 ( 0.000 1.632 0.612) 1.744 7.542 ( 0.000 -1.065 -3.639) 3.792 7.542 ( 0.000 1.065 -3.639) 3.792 7.755 ( 0.000 -0.203 -6.731) 6.734 7.755 ( 0.000 0.203 -6.731) 6.734 8.265 ( 0.000 -1.821 5.511) 5.804 8.265 ( 0.000 1.821 5.511) 5.804 8.705 ( 0.000 -0.691 -13.189) 13.207 8.705 ( 0.000 0.691 -13.189) 13.207 9.022 ( 0.000 -7.988 1.450) 8.118 9.022 ( 0.000 7.988 1.450) 8.118 9.329 ( 0.000 -3.042 -11.826) 12.211 9.329 ( 0.000 3.042 -11.826) 12.211 10.260 ( 0.000 -3.332 5.829) 6.714 10.260 ( 0.000 3.332 5.829) 6.714 10.336 ( 0.000 -2.254 1.403) 2.655 10.336 ( 0.000 2.254 1.403) 2.655 10.840 ( 0.000 -0.893 -1.352) 1.620 10.840 ( 0.000 0.893 -1.352) 1.620 10.912 ( 0.000 -0.842 -4.859) 4.931 10.912 ( 0.000 0.842 -4.859) 4.931 12.391 ( 0.000 -13.301 5.837) 14.525 12.391 ( 0.000 13.301 5.837) 14.525 12.500 ( 0.000 -7.952 -0.024) 7.953 12.500 ( 0.000 7.952 -0.024) 7.953 14.763 ( 0.000 -3.936 5.219) 6.537 14.763 ( 0.000 3.936 5.219) 6.537 14.880 ( 0.000 -3.105 -0.956) 3.249 14.880 ( 0.000 3.105 -0.956) 3.249 15.648 ( 0.000 -5.601 6.572) 8.635 15.648 ( 0.000 5.601 6.572) 8.635 15.861 ( 0.000 -9.438 -5.141) 10.747 15.861 ( 0.000 9.438 -5.141) 10.747 17.442 ( 0.000 -8.405 10.059) 13.108 17.442 ( 0.000 8.405 10.059) 13.108 17.735 ( 0.000 -7.246 -6.267) 9.580 17.735 ( 0.000 7.246 -6.267) 9.580 18.477 ( 0.000 -0.542 4.826) 4.856 18.477 ( 0.000 0.542 4.826) 4.856 18.673 ( 0.000 -1.122 -5.131) 5.252 18.673 ( 0.000 1.122 -5.131) 5.252 21.725 ( 0.000 -2.259 4.003) 4.596 21.725 ( 0.000 2.259 4.003) 4.596 21.830 ( 0.000 -3.365 -1.221) 3.579 21.830 ( 0.000 3.365 -1.221) 3.579 22.476 ( 0.000 -6.292 -2.111) 6.637 22.476 ( 0.000 6.292 -2.111) 6.637 22.535 ( 0.000 -3.399 -4.537) 5.669 22.535 ( 0.000 3.399 -4.537) 5.669 ======================= Grid point 200 (72/90) ======================= q-point: ( 0.11 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( 3.751 -0.000 20.523) 20.863 1.953 ( 7.176 0.000 17.339) 18.765 2.253 ( 5.982 0.000 7.730) 9.774 2.259 ( 5.517 -0.000 13.617) 14.692 2.553 ( 0.399 0.000 12.209) 12.216 2.558 ( -0.196 0.000 10.176) 10.178 2.932 ( 0.084 0.000 -0.053) 0.099 3.054 ( 5.671 0.000 -2.183) 6.076 3.116 ( 0.927 0.000 1.879) 2.095 3.163 ( 1.201 0.000 -2.587) 2.852 3.244 ( -1.939 0.000 -9.644) 9.837 3.316 ( 1.154 0.000 -13.840) 13.888 3.883 ( -1.683 0.000 0.205) 1.695 3.938 ( 0.975 0.000 -0.094) 0.980 3.941 ( -2.372 0.000 -3.724) 4.416 4.043 ( 2.402 0.000 -4.004) 4.670 4.380 ( -0.526 -0.000 -0.545) 0.757 4.409 ( 0.151 0.000 -1.172) 1.182 4.714 ( -0.572 0.000 -12.924) 12.937 4.717 ( -0.148 -0.000 -14.960) 14.961 5.222 ( -2.312 -0.000 0.639) 2.399 5.256 ( 0.106 0.000 3.345) 3.347 5.285 ( -2.055 0.000 2.600) 3.314 5.380 ( 3.510 -0.000 -0.215) 3.517 5.654 ( -5.383 -0.000 25.327) 25.892 5.818 ( -2.903 0.000 16.276) 16.532 6.174 ( 0.087 -0.000 -3.350) 3.351 6.175 ( -0.016 0.000 0.697) 0.697 6.285 ( -1.605 0.000 9.123) 9.263 6.453 ( 4.488 0.000 1.174) 4.639 6.811 ( -11.956 0.000 -4.401) 12.740 6.921 ( -4.528 0.000 -2.981) 5.422 7.072 ( 3.816 -0.000 -3.619) 5.259 7.217 ( 7.433 0.000 7.959) 10.890 7.263 ( -8.206 0.000 -1.676) 8.375 7.297 ( 1.471 0.000 -2.836) 3.195 7.492 ( -8.774 0.000 -7.240) 11.376 7.548 ( 4.321 0.000 -8.360) 9.411 7.639 ( 4.735 0.000 3.886) 6.125 7.934 ( 3.462 0.000 -7.039) 7.844 8.272 ( 1.056 0.000 5.097) 5.205 8.290 ( 2.933 0.000 6.800) 7.406 8.682 ( -0.564 0.000 -13.792) 13.804 8.737 ( 1.421 0.000 -9.507) 9.612 8.947 ( -3.181 0.000 -1.002) 3.335 9.078 ( 1.192 -0.000 1.536) 1.944 9.312 ( -1.409 0.000 -14.263) 14.332 9.319 ( -1.070 -0.000 -9.691) 9.749 10.240 ( -0.968 -0.000 6.755) 6.824 10.272 ( 0.491 0.000 5.726) 5.747 10.357 ( 1.918 0.000 0.859) 2.102 10.361 ( 2.167 -0.000 0.553) 2.236 10.804 ( -1.889 0.000 -1.126) 2.199 10.865 ( -2.430 0.000 -4.187) 4.841 10.868 ( 1.084 -0.000 -1.566) 1.904 10.940 ( 0.700 0.000 -4.918) 4.968 12.349 ( -3.299 0.000 6.641) 7.415 12.391 ( -1.130 0.000 7.185) 7.274 12.457 ( -1.405 -0.000 0.490) 1.488 12.546 ( 1.937 0.000 -1.136) 2.246 14.724 ( -2.091 0.000 4.976) 5.397 14.793 ( 1.087 -0.000 5.563) 5.668 14.837 ( -2.100 0.000 -1.051) 2.348 14.921 ( 1.922 0.000 -1.181) 2.256 15.563 ( -3.578 0.000 9.379) 10.038 15.746 ( 4.635 -0.000 4.292) 6.317 15.827 ( -2.003 0.000 -5.166) 5.541 15.903 ( 3.184 0.000 -5.052) 5.971 17.249 ( -12.405 -0.000 11.931) 17.212 17.529 ( 1.801 0.000 9.011) 9.189 17.535 ( -10.511 -0.000 -4.294) 11.354 17.836 ( 0.808 0.000 -7.401) 7.444 18.471 ( 0.739 0.000 3.618) 3.693 18.508 ( 1.855 0.000 5.162) 5.485 18.633 ( -1.574 0.000 -4.456) 4.725 18.716 ( 1.985 0.000 -5.364) 5.720 21.737 ( 2.273 0.000 3.558) 4.223 21.772 ( 3.553 0.000 3.334) 4.872 21.847 ( 1.919 0.000 -1.640) 2.524 21.854 ( 2.066 0.000 -0.861) 2.238 22.406 ( -3.887 0.000 -0.444) 3.913 22.498 ( -0.401 0.000 -1.846) 1.890 22.517 ( -0.881 -0.000 -5.194) 5.268 22.569 ( 1.759 0.000 -5.186) 5.477 ======================= Grid point 202 (73/90) ======================= q-point: ( 0.22 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( 9.790 0.000 17.687) 20.216 2.089 ( 6.457 0.000 14.211) 15.609 2.373 ( 5.848 0.000 11.329) 12.750 2.398 ( 8.161 0.000 1.156) 8.242 2.557 ( 0.128 0.000 9.835) 9.836 2.571 ( 1.232 0.000 14.163) 14.217 2.958 ( 2.841 0.000 2.480) 3.771 3.141 ( 1.912 0.000 -1.680) 2.545 3.164 ( 3.218 0.000 0.546) 3.264 3.179 ( 1.129 -0.000 -4.020) 4.175 3.229 ( 1.083 0.000 -4.943) 5.061 3.330 ( 0.329 0.000 -11.349) 11.354 3.856 ( -0.882 0.000 0.438) 0.985 3.922 ( 1.076 0.000 -4.707) 4.828 3.954 ( 0.725 0.000 -0.092) 0.731 4.089 ( 2.466 0.000 -5.172) 5.730 4.386 ( 1.284 -0.000 -0.294) 1.317 4.412 ( 0.546 0.000 -0.699) 0.887 4.694 ( -1.414 0.000 -10.621) 10.715 4.706 ( -1.170 -0.000 -14.887) 14.933 5.171 ( -2.278 0.000 -0.321) 2.300 5.250 ( -1.672 0.000 -1.224) 2.072 5.279 ( 2.986 0.000 6.382) 7.046 5.437 ( 0.941 -0.000 -1.565) 1.826 5.603 ( 0.674 0.000 21.709) 21.720 5.712 ( -6.683 0.000 13.272) 14.860 6.111 ( -5.759 0.000 -4.937) 7.585 6.193 ( 2.338 0.000 0.234) 2.349 6.278 ( -1.533 -0.000 9.283) 9.408 6.432 ( -9.245 0.000 -2.538) 9.587 6.516 ( -17.753 0.000 -0.317) 17.755 6.841 ( -3.928 0.000 -6.555) 7.641 7.051 ( -7.865 0.000 2.442) 8.235 7.157 ( 4.977 0.000 2.433) 5.540 7.326 ( 3.941 -0.000 -2.544) 4.691 7.390 ( 7.434 0.000 -3.792) 8.345 7.490 ( 5.461 0.000 -3.997) 6.767 7.663 ( 6.562 -0.000 -6.187) 9.019 7.704 ( 2.057 0.000 4.468) 4.919 7.898 ( -5.568 0.000 -2.475) 6.093 8.310 ( 2.921 0.000 5.882) 6.567 8.366 ( 4.083 0.000 6.045) 7.295 8.685 ( 0.745 0.000 -11.790) 11.814 8.749 ( -0.330 0.000 -4.258) 4.271 8.910 ( -0.816 0.000 -5.388) 5.449 9.054 ( -3.542 -0.000 1.073) 3.701 9.281 ( -1.681 0.000 -16.059) 16.147 9.296 ( -1.293 -0.000 -9.539) 9.627 10.226 ( -0.518 0.000 7.754) 7.771 10.281 ( 0.300 0.000 5.913) 5.920 10.401 ( 2.401 0.000 -0.898) 2.564 10.406 ( 2.230 -0.000 -0.713) 2.341 10.772 ( -1.318 0.000 -0.700) 1.493 10.831 ( -0.840 0.000 -3.236) 3.343 10.882 ( 0.460 0.000 -1.657) 1.719 10.938 ( -0.933 0.000 -4.113) 4.218 12.276 ( -3.867 0.000 9.485) 10.243 12.349 ( -3.132 -0.000 9.906) 10.389 12.448 ( 0.387 0.000 -0.311) 0.496 12.571 ( 0.665 0.000 -2.203) 2.302 14.686 ( -1.708 0.000 4.774) 5.070 14.799 ( -0.613 -0.000 5.943) 5.975 14.802 ( -1.385 0.000 -1.465) 2.016 14.947 ( 0.578 0.000 -1.816) 1.906 15.519 ( -0.661 0.000 11.163) 11.182 15.787 ( -1.934 0.000 -4.003) 4.446 15.811 ( 2.117 -0.000 4.660) 5.118 15.978 ( 3.528 0.000 -5.053) 6.163 17.012 ( -10.413 0.000 13.738) 17.238 17.360 ( -7.417 0.000 -4.387) 8.617 17.515 ( -3.172 0.000 7.227) 7.892 17.769 ( -7.134 0.000 -6.059) 9.359 18.499 ( 1.783 0.000 2.335) 2.938 18.542 ( 1.491 0.000 5.107) 5.320 18.619 ( 0.226 0.000 -3.746) 3.753 18.744 ( 0.856 0.000 -5.152) 5.223 21.805 ( 4.497 0.000 2.156) 4.987 21.852 ( 4.506 0.000 2.189) 5.010 21.900 ( 3.483 -0.000 -2.084) 4.059 21.903 ( 2.871 0.000 -0.644) 2.942 22.339 ( -2.904 0.000 1.418) 3.232 22.472 ( -2.146 0.000 -0.709) 2.260 22.501 ( -0.702 -0.000 -5.842) 5.884 22.586 ( -0.075 0.000 -5.897) 5.898 ======================= Grid point 204 (74/90) ======================= q-point: ( 0.33 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( 8.770 0.000 13.686) 16.254 2.193 ( 4.436 -0.000 11.316) 12.154 2.481 ( 5.321 0.000 7.766) 9.414 2.530 ( 4.898 0.000 -4.020) 6.337 2.559 ( 0.134 0.000 9.117) 9.118 2.588 ( 0.327 -0.000 15.168) 15.171 3.037 ( 4.792 0.000 3.255) 5.793 3.137 ( -0.859 0.000 -5.115) 5.187 3.202 ( 0.658 -0.000 0.895) 1.111 3.206 ( 0.650 0.000 -4.343) 4.392 3.280 ( 3.224 0.000 -0.010) 3.224 3.332 ( 0.128 0.000 -2.376) 2.380 3.858 ( 1.201 0.000 0.998) 1.562 3.961 ( -0.228 0.000 0.091) 0.245 3.990 ( 5.711 0.000 -6.038) 8.311 4.141 ( 2.789 0.000 -6.643) 7.205 4.434 ( 3.691 -0.000 -0.962) 3.814 4.440 ( 2.367 0.000 -0.841) 2.512 4.660 ( -2.232 0.000 -7.537) 7.860 4.673 ( -2.075 -0.000 -12.490) 12.661 5.164 ( 2.120 0.000 -2.733) 3.458 5.226 ( -0.298 0.000 -3.018) 3.033 5.360 ( 2.151 -0.000 12.280) 12.467 5.439 ( 3.285 0.000 1.428) 3.582 5.595 ( -4.904 0.000 10.478) 11.569 5.626 ( -0.661 0.000 4.518) 4.566 5.989 ( -6.638 0.000 -6.125) 9.032 6.110 ( -20.973 -0.000 -2.499) 21.121 6.157 ( -13.992 0.000 3.244) 14.364 6.186 ( -7.525 0.000 9.728) 12.299 6.311 ( 6.206 0.000 -3.619) 7.184 6.760 ( -4.742 0.000 -9.479) 10.599 7.016 ( 2.298 0.000 4.613) 5.154 7.230 ( 1.144 0.000 6.526) 6.625 7.400 ( 4.075 0.000 -8.184) 9.143 7.537 ( 6.596 -0.000 -4.967) 8.257 7.610 ( 5.974 0.000 0.265) 5.980 7.726 ( 0.105 -0.000 2.855) 2.857 7.773 ( 4.396 -0.000 -4.185) 6.070 7.785 ( -4.180 0.000 1.918) 4.599 8.381 ( 4.333 0.000 7.407) 8.581 8.432 ( 2.852 0.000 7.140) 7.689 8.702 ( 0.549 0.000 -7.393) 7.413 8.725 ( -2.035 0.000 -1.756) 2.688 8.905 ( 0.067 0.000 -6.903) 6.904 8.965 ( -4.758 -0.000 -0.536) 4.788 9.251 ( -1.343 0.000 -17.161) 17.214 9.268 ( -1.566 -0.000 -11.824) 11.927 10.221 ( 0.123 0.000 8.086) 8.087 10.278 ( -0.660 0.000 6.256) 6.291 10.440 ( 1.473 -0.000 -3.035) 3.374 10.440 ( 1.278 0.000 -2.059) 2.423 10.763 ( 0.591 0.000 0.386) 0.706 10.835 ( 1.022 0.000 -2.717) 2.903 10.886 ( -0.098 0.000 -1.721) 1.724 10.906 ( -2.177 0.000 -2.496) 3.312 12.213 ( -2.424 0.000 12.652) 12.882 12.279 ( -3.759 -0.000 12.935) 13.470 12.469 ( 1.666 0.000 -1.705) 2.384 12.571 ( -0.658 0.000 -3.096) 3.165 14.664 ( -0.466 0.000 4.727) 4.750 14.767 ( -2.494 0.000 6.052) 6.546 14.791 ( 0.360 0.000 -2.154) 2.183 14.935 ( -1.867 0.000 -2.766) 3.337 15.545 ( 3.447 0.000 11.878) 12.368 15.767 ( 0.215 0.000 -1.573) 1.588 15.827 ( -0.594 -0.000 6.606) 6.633 15.985 ( -3.493 0.000 -0.822) 3.589 16.917 ( 1.422 0.000 9.720) 9.823 17.263 ( -2.344 0.000 -5.029) 5.548 17.414 ( -7.116 0.000 4.572) 8.459 17.592 ( -10.553 0.000 -4.480) 11.464 18.531 ( 1.474 0.000 2.459) 2.867 18.563 ( 0.666 0.000 4.751) 4.798 18.641 ( 1.870 0.000 -3.482) 3.952 18.747 ( -0.562 0.000 -4.657) 4.690 21.894 ( 4.349 0.000 0.882) 4.438 21.935 ( 3.804 0.000 1.072) 3.952 21.956 ( 2.565 -0.000 -0.718) 2.664 21.971 ( 3.542 0.000 -2.646) 4.421 22.299 ( -1.183 0.000 2.839) 3.076 22.419 ( -3.322 -0.000 0.492) 3.359 22.493 ( -0.035 0.000 -6.129) 6.130 22.568 ( -1.619 0.000 -6.090) 6.302 ======================= Grid point 206 (75/90) ======================= q-point: ( 0.44 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( 2.512 0.000 9.427) 9.756 2.270 ( 2.273 -0.000 10.184) 10.435 2.560 ( 1.764 0.000 -4.461) 4.797 2.571 ( 1.888 -0.000 17.651) 17.752 2.574 ( -0.052 0.000 -0.777) 0.779 2.592 ( 0.182 -0.000 11.506) 11.508 3.113 ( 2.440 0.000 -0.354) 2.465 3.128 ( -0.050 0.000 -5.134) 5.134 3.196 ( -0.775 -0.000 -2.111) 2.249 3.200 ( -0.663 0.000 3.215) 3.283 3.330 ( 1.605 0.000 1.669) 2.316 3.339 ( 0.376 0.000 2.212) 2.244 3.897 ( 2.497 0.000 1.434) 2.880 3.941 ( -1.827 0.000 0.830) 2.007 4.110 ( 5.633 0.000 -7.509) 9.387 4.171 ( -0.427 0.000 -7.859) 7.870 4.496 ( 2.963 0.000 -0.384) 2.988 4.509 ( 2.832 0.000 -0.555) 2.886 4.615 ( -1.607 0.000 -6.617) 6.809 4.632 ( -2.216 -0.000 -9.124) 9.389 5.224 ( 3.543 0.000 -0.263) 3.553 5.313 ( 10.658 -0.000 -3.428) 11.196 5.314 ( -4.690 0.000 10.333) 11.348 5.529 ( -6.326 0.000 -1.143) 6.429 5.540 ( -0.351 -0.000 4.170) 4.185 5.585 ( 1.510 0.000 -5.006) 5.228 5.740 ( -9.257 0.000 -5.951) 11.004 5.847 ( -8.612 -0.000 -9.784) 13.035 5.995 ( -2.424 0.000 13.612) 13.826 6.037 ( -6.189 -0.000 16.020) 17.174 6.480 ( 9.648 0.000 -7.098) 11.978 6.647 ( -7.293 0.000 -9.806) 12.221 7.089 ( 4.785 0.000 6.125) 7.773 7.186 ( -4.727 0.000 7.526) 8.887 7.485 ( 4.740 0.000 -8.638) 9.853 7.571 ( -3.252 0.000 -8.976) 9.547 7.700 ( 3.139 0.000 1.186) 3.356 7.722 ( 0.650 0.000 3.412) 3.473 7.788 ( 2.369 0.000 2.099) 3.165 7.818 ( 0.141 -0.000 -1.113) 1.122 8.460 ( 3.129 0.000 9.699) 10.191 8.476 ( 1.359 0.000 9.935) 10.027 8.684 ( -1.541 0.000 -1.997) 2.522 8.689 ( -1.583 -0.000 -2.569) 3.017 8.905 ( -0.182 -0.000 -6.159) 6.162 8.907 ( -1.016 0.000 -4.562) 4.673 9.233 ( -0.341 0.000 -17.174) 17.178 9.241 ( -1.075 0.000 -15.092) 15.130 10.232 ( 1.011 0.000 7.704) 7.770 10.257 ( -1.386 0.000 6.938) 7.075 10.455 ( 0.359 -0.000 -3.354) 3.373 10.456 ( 0.320 0.000 -3.973) 3.986 10.795 ( 2.603 0.000 0.674) 2.689 10.852 ( -3.003 -0.000 -0.549) 3.053 10.861 ( 1.428 0.000 -2.468) 2.852 10.882 ( -0.752 0.000 -2.100) 2.230 12.190 ( 0.081 0.000 14.744) 14.744 12.216 ( -2.534 -0.000 14.859) 15.074 12.508 ( 2.196 -0.000 -2.918) 3.652 12.547 ( -1.769 0.000 -3.425) 3.855 14.672 ( 1.351 0.000 5.057) 5.235 14.714 ( -2.758 0.000 5.657) 6.293 14.820 ( 2.565 0.000 -2.912) 3.880 14.881 ( -3.436 0.000 -3.266) 4.740 15.646 ( 6.718 0.000 11.732) 13.519 15.774 ( -5.312 0.000 9.635) 11.003 15.799 ( 2.993 -0.000 0.940) 3.137 15.880 ( -5.604 0.000 2.349) 6.076 17.041 ( 9.897 0.000 3.721) 10.574 17.245 ( -10.328 0.000 2.321) 10.585 17.276 ( 3.683 0.000 -4.414) 5.749 17.398 ( -8.745 0.000 -3.630) 9.469 18.554 ( 0.974 0.000 3.272) 3.414 18.567 ( -0.250 0.000 4.112) 4.119 18.683 ( 2.338 0.000 -3.637) 4.324 18.724 ( -1.776 0.000 -4.082) 4.452 21.960 ( 2.220 -0.000 0.379) 2.252 21.976 ( 0.506 0.000 0.382) 0.634 22.006 ( 2.190 0.000 -1.497) 2.653 22.019 ( 1.046 0.000 -2.742) 2.935 22.300 ( 1.468 0.000 3.195) 3.516 22.351 ( -3.457 -0.000 1.912) 3.950 22.503 ( 1.052 -0.000 -6.174) 6.263 22.532 ( -1.895 0.000 -6.128) 6.415 ======================= Grid point 225 (76/90) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.018 ( 0.000 0.000 -15.577) 15.577 2.018 ( 0.000 0.000 15.577) 15.577 2.426 ( 0.000 0.000 -0.474) 0.474 2.426 ( 0.000 0.000 0.474) 0.474 2.763 ( 0.000 0.000 -13.424) 13.424 2.763 ( 0.000 0.000 13.424) 13.424 2.879 ( 0.000 0.000 -9.584) 9.584 2.879 ( 0.000 0.000 9.584) 9.584 2.999 ( 0.000 0.000 -0.036) 0.036 2.999 ( 0.000 0.000 0.036) 0.036 3.288 ( 0.000 0.000 -10.589) 10.589 3.288 ( 0.000 0.000 10.589) 10.589 3.858 ( 0.000 0.000 -0.916) 0.916 3.858 ( 0.000 0.000 0.916) 0.916 3.999 ( 0.000 0.000 -4.001) 4.001 3.999 ( 0.000 0.000 4.001) 4.001 4.253 ( 0.000 0.000 -4.284) 4.284 4.253 ( 0.000 0.000 4.284) 4.284 4.710 ( 0.000 0.000 -8.033) 8.033 4.710 ( 0.000 0.000 8.033) 8.033 5.069 ( 0.000 0.000 -1.767) 1.767 5.069 ( 0.000 0.000 1.767) 1.767 5.477 ( 0.000 0.000 -8.237) 8.237 5.477 ( 0.000 0.000 8.237) 8.237 5.915 ( 0.000 0.000 -21.385) 21.385 5.915 ( 0.000 0.000 21.385) 21.385 6.202 ( 0.000 0.000 -0.081) 0.081 6.202 ( 0.000 0.000 0.081) 0.081 6.623 ( 0.000 0.000 -15.204) 15.204 6.623 ( 0.000 0.000 15.204) 15.204 6.676 ( 0.000 0.000 -2.937) 2.937 6.676 ( 0.000 0.000 2.937) 2.937 7.291 ( 0.000 0.000 -6.758) 6.758 7.291 ( 0.000 0.000 6.758) 6.758 7.359 ( 0.000 0.000 -4.299) 4.299 7.359 ( 0.000 0.000 4.299) 4.299 7.406 ( 0.000 0.000 -5.512) 5.512 7.406 ( 0.000 0.000 5.512) 5.512 7.497 ( 0.000 0.000 -5.731) 5.731 7.497 ( 0.000 0.000 5.731) 5.731 8.468 ( 0.000 0.000 -15.167) 15.167 8.468 ( 0.000 0.000 15.167) 15.167 8.604 ( 0.000 0.000 -9.303) 9.303 8.604 ( 0.000 0.000 9.303) 9.303 8.883 ( 0.000 0.000 -14.152) 14.152 8.883 ( 0.000 0.000 14.152) 14.152 9.262 ( 0.000 0.000 -3.193) 3.193 9.262 ( 0.000 0.000 3.193) 3.193 10.307 ( 0.000 0.000 -6.336) 6.336 10.307 ( 0.000 0.000 6.336) 6.336 10.347 ( 0.000 0.000 -2.835) 2.835 10.347 ( 0.000 0.000 2.835) 2.835 10.824 ( 0.000 0.000 -1.506) 1.506 10.824 ( 0.000 0.000 1.506) 1.506 10.883 ( 0.000 0.000 -1.398) 1.398 10.883 ( 0.000 0.000 1.398) 1.398 12.227 ( 0.000 0.000 -6.992) 6.992 12.227 ( 0.000 0.000 6.992) 6.992 12.754 ( 0.000 0.000 -4.066) 4.066 12.754 ( 0.000 0.000 4.066) 4.066 14.715 ( 0.000 0.000 -1.910) 1.910 14.715 ( 0.000 0.000 1.910) 1.910 14.929 ( 0.000 0.000 -2.159) 2.159 14.929 ( 0.000 0.000 2.159) 2.159 15.561 ( 0.000 0.000 -1.604) 1.604 15.561 ( 0.000 0.000 1.604) 1.604 15.986 ( 0.000 0.000 -7.050) 7.050 15.986 ( 0.000 0.000 7.050) 7.050 17.388 ( 0.000 0.000 -11.248) 11.248 17.388 ( 0.000 0.000 11.248) 11.248 17.835 ( 0.000 0.000 -10.943) 10.943 17.835 ( 0.000 0.000 10.943) 10.943 18.534 ( 0.000 0.000 -3.915) 3.915 18.534 ( 0.000 0.000 3.915) 3.915 18.601 ( 0.000 0.000 -5.505) 5.505 18.601 ( 0.000 0.000 5.505) 5.505 21.725 ( 0.000 0.000 -2.452) 2.452 21.725 ( 0.000 0.000 2.452) 2.452 21.906 ( 0.000 0.000 -5.969) 5.969 21.906 ( 0.000 0.000 5.969) 5.969 22.310 ( 0.000 0.000 -6.886) 6.886 22.310 ( 0.000 0.000 6.886) 6.886 22.579 ( 0.000 0.000 -0.617) 0.617 22.579 ( 0.000 0.000 0.617) 0.617 ======================= Grid point 227 (77/90) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.103 ( 8.043 0.000 -12.577) 14.929 2.103 ( 8.043 0.000 12.577) 14.929 2.403 ( -2.055 0.000 -2.093) 2.933 2.403 ( -2.055 0.000 2.093) 2.933 2.776 ( 1.878 0.000 -13.014) 13.149 2.776 ( 1.878 0.000 13.014) 13.149 2.877 ( 0.508 0.000 -8.735) 8.750 2.877 ( 0.508 0.000 8.735) 8.750 3.048 ( 3.526 0.000 -0.884) 3.636 3.048 ( 3.526 0.000 0.884) 3.636 3.285 ( -0.079 0.000 -10.703) 10.703 3.285 ( -0.079 0.000 10.703) 10.703 3.853 ( -0.475 0.000 -1.190) 1.282 3.853 ( -0.475 0.000 1.190) 1.282 4.005 ( 0.753 0.000 -4.256) 4.323 4.005 ( 0.753 0.000 4.256) 4.323 4.251 ( -0.038 0.000 -4.126) 4.126 4.251 ( -0.038 0.000 4.126) 4.126 4.702 ( -0.892 0.000 -7.297) 7.351 4.702 ( -0.892 0.000 7.297) 7.351 5.110 ( 3.717 0.000 -1.446) 3.988 5.110 ( 3.717 0.000 1.446) 3.988 5.416 ( -5.326 0.000 -6.916) 8.729 5.416 ( -5.326 0.000 6.916) 8.729 5.915 ( -0.462 0.000 -21.449) 21.454 5.915 ( -0.462 0.000 21.449) 21.454 6.185 ( -1.743 0.000 -0.117) 1.747 6.185 ( -1.743 0.000 0.117) 1.747 6.574 ( -2.926 0.000 -17.863) 18.101 6.574 ( -2.926 0.000 17.863) 18.101 6.700 ( -1.750 0.000 -0.634) 1.862 6.700 ( -1.750 0.000 0.634) 1.862 7.186 ( -11.377 0.000 -6.588) 13.147 7.186 ( -11.377 0.000 6.588) 13.147 7.255 ( -0.223 0.000 -5.648) 5.652 7.255 ( -0.223 0.000 5.648) 5.652 7.449 ( 5.411 0.000 -5.090) 7.429 7.449 ( 5.411 0.000 5.090) 7.429 7.680 ( 9.681 0.000 -3.694) 10.362 7.680 ( 9.681 0.000 3.694) 10.362 8.465 ( -0.215 0.000 -13.660) 13.662 8.465 ( -0.215 0.000 13.660) 13.662 8.612 ( 0.813 0.000 -8.354) 8.393 8.612 ( 0.813 0.000 8.354) 8.393 8.877 ( -0.414 0.000 -14.727) 14.733 8.877 ( -0.414 0.000 14.727) 14.733 9.250 ( -1.417 0.000 -1.805) 2.294 9.250 ( -1.417 0.000 1.805) 2.294 10.312 ( 0.480 0.000 -6.201) 6.220 10.312 ( 0.480 0.000 6.201) 6.220 10.355 ( 0.643 0.000 -2.615) 2.693 10.355 ( 0.643 0.000 2.615) 2.693 10.820 ( -0.285 0.000 -0.986) 1.026 10.820 ( -0.285 0.000 0.986) 1.026 10.879 ( -0.413 0.000 -1.108) 1.182 10.879 ( -0.413 0.000 1.108) 1.182 12.233 ( 0.621 0.000 -7.339) 7.365 12.233 ( 0.621 0.000 7.339) 7.365 12.732 ( -2.237 0.000 -3.121) 3.839 12.732 ( -2.237 0.000 3.121) 3.839 14.704 ( -0.906 0.000 -2.194) 2.374 14.704 ( -0.906 0.000 2.194) 2.374 14.939 ( 0.830 0.000 -2.137) 2.292 14.939 ( 0.830 0.000 2.137) 2.292 15.573 ( 1.170 0.000 -1.871) 2.207 15.573 ( 1.170 0.000 1.871) 2.207 15.982 ( -0.333 0.000 -5.769) 5.778 15.982 ( -0.333 0.000 5.769) 5.778 17.326 ( -5.941 0.000 -11.415) 12.869 17.326 ( -5.941 0.000 11.415) 12.869 17.800 ( -3.704 0.000 -8.987) 9.721 17.800 ( -3.704 0.000 8.987) 9.721 18.532 ( 0.075 0.000 -3.490) 3.490 18.532 ( 0.075 0.000 3.490) 3.490 18.620 ( 1.496 0.000 -5.480) 5.680 18.620 ( 1.496 0.000 5.480) 5.680 21.747 ( 2.223 0.000 -2.051) 3.025 21.747 ( 2.223 0.000 2.051) 3.025 21.925 ( 1.838 0.000 -5.608) 5.901 21.925 ( 1.838 0.000 5.608) 5.901 22.311 ( 0.131 0.000 -6.822) 6.823 22.311 ( 0.131 0.000 6.822) 6.823 22.569 ( -1.061 0.000 -1.063) 1.501 22.569 ( -1.061 0.000 1.063) 1.501 ======================= Grid point 229 (78/90) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.278 ( 8.927 0.000 -6.425) 10.999 2.278 ( 8.927 0.000 6.425) 10.999 2.368 ( -1.058 0.000 -6.035) 6.127 2.368 ( -1.058 0.000 6.035) 6.127 2.846 ( 4.546 0.000 -12.859) 13.639 2.846 ( 4.546 0.000 12.859) 13.639 2.905 ( 2.458 0.000 -9.864) 10.166 2.905 ( 2.458 0.000 9.864) 10.166 3.100 ( 2.083 0.000 -1.649) 2.656 3.100 ( 2.083 0.000 1.649) 2.656 3.294 ( 0.965 0.000 -9.494) 9.543 3.294 ( 0.965 0.000 9.494) 9.543 3.848 ( 0.311 0.000 -1.929) 1.954 3.848 ( 0.311 0.000 1.929) 1.954 4.027 ( 1.380 0.000 -5.005) 5.192 4.027 ( 1.380 0.000 5.005) 5.192 4.261 ( 1.283 0.000 -3.385) 3.620 4.261 ( 1.283 0.000 3.385) 3.620 4.677 ( -1.721 0.000 -4.439) 4.761 4.677 ( -1.721 0.000 4.439) 4.761 5.168 ( 0.937 0.000 -0.264) 0.974 5.168 ( 0.937 0.000 0.264) 0.974 5.339 ( -0.691 0.000 -4.040) 4.099 5.339 ( -0.691 0.000 4.040) 4.099 5.874 ( -4.545 0.000 -16.425) 17.043 5.874 ( -4.545 0.000 16.425) 17.043 6.151 ( -0.966 0.000 -6.613) 6.683 6.151 ( -0.966 0.000 6.613) 6.683 6.471 ( -12.351 0.000 -9.777) 15.752 6.471 ( -12.351 0.000 9.777) 15.752 6.557 ( -8.402 0.000 -5.506) 10.045 6.557 ( -8.402 0.000 5.506) 10.045 7.081 ( 1.061 0.000 -13.304) 13.347 7.081 ( 1.061 0.000 13.304) 13.347 7.314 ( 5.576 0.000 -3.448) 6.556 7.314 ( 5.576 0.000 3.448) 6.556 7.541 ( 3.794 0.000 -4.997) 6.274 7.541 ( 3.794 0.000 4.997) 6.274 7.818 ( 4.110 0.000 -2.734) 4.937 7.818 ( 4.110 0.000 2.734) 4.937 8.469 ( 1.112 0.000 -10.289) 10.349 8.469 ( 1.112 0.000 10.289) 10.349 8.637 ( 1.885 0.000 -4.817) 5.173 8.637 ( 1.885 0.000 4.817) 5.173 8.872 ( -0.178 0.000 -15.464) 15.465 8.872 ( -0.178 0.000 15.464) 15.465 9.203 ( -3.505 0.000 -1.557) 3.835 9.203 ( -3.505 0.000 1.557) 3.835 10.325 ( 0.842 0.000 -5.989) 6.047 10.325 ( 0.842 0.000 5.989) 6.047 10.366 ( 0.468 0.000 -2.187) 2.237 10.366 ( 0.468 0.000 2.187) 2.237 10.819 ( 0.259 0.000 -0.321) 0.413 10.819 ( 0.259 0.000 0.321) 0.413 10.867 ( -0.776 0.000 -0.814) 1.125 10.867 ( -0.776 0.000 0.814) 1.125 12.253 ( 1.624 0.000 -8.079) 8.241 12.253 ( 1.624 0.000 8.079) 8.241 12.669 ( -4.268 0.000 -0.566) 4.305 12.669 ( -4.268 0.000 0.566) 4.305 14.690 ( -0.358 0.000 -2.732) 2.755 14.690 ( -0.358 0.000 2.732) 2.755 14.945 ( -0.662 0.000 -2.422) 2.511 14.945 ( -0.662 0.000 2.422) 2.511 15.604 ( 2.143 0.000 -2.799) 3.525 15.604 ( 2.143 0.000 2.799) 3.525 15.980 ( 0.052 0.000 -2.407) 2.408 15.980 ( 0.052 0.000 2.407) 2.408 17.194 ( -6.721 0.000 -11.898) 13.665 17.194 ( -6.721 0.000 11.898) 13.665 17.691 ( -7.609 0.000 -4.993) 9.101 17.691 ( -7.609 0.000 4.993) 9.101 18.545 ( 1.265 0.000 -2.840) 3.109 18.545 ( 1.265 0.000 2.840) 3.109 18.646 ( 1.091 0.000 -5.317) 5.428 18.646 ( 1.091 0.000 5.317) 5.428 21.807 ( 3.917 0.000 -1.087) 4.065 21.807 ( 3.917 0.000 1.087) 4.065 21.969 ( 2.436 0.000 -4.710) 5.302 21.969 ( 2.436 0.000 4.710) 5.302 22.316 ( 0.485 0.000 -6.648) 6.665 22.316 ( 0.485 0.000 6.648) 6.665 22.538 ( -2.157 0.000 -2.144) 3.041 22.538 ( -2.157 0.000 2.144) 3.041 ======================= Grid point 231 (79/90) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.373 ( 1.567 0.000 -8.000) 8.152 2.373 ( 1.567 0.000 8.000) 8.152 2.414 ( 4.817 0.000 -4.291) 6.451 2.414 ( 4.817 0.000 4.291) 6.451 2.894 ( 0.965 0.000 -13.868) 13.901 2.894 ( 0.965 0.000 13.868) 13.901 2.964 ( 1.858 0.000 -14.007) 14.129 2.964 ( 1.858 0.000 14.007) 14.129 3.164 ( 5.039 0.000 -4.715) 6.901 3.164 ( 5.039 0.000 4.715) 6.901 3.311 ( 0.465 0.000 -5.581) 5.600 3.311 ( 0.465 0.000 5.581) 5.600 3.882 ( 3.474 0.000 -2.963) 4.566 3.882 ( 3.474 0.000 2.963) 4.566 4.048 ( 0.422 0.000 -6.031) 6.046 4.048 ( 0.422 0.000 6.031) 6.046 4.308 ( 3.878 0.000 -2.317) 4.518 4.308 ( 3.878 0.000 2.317) 4.518 4.633 ( -3.100 0.000 -0.092) 3.102 4.633 ( -3.100 0.000 0.092) 3.102 5.175 ( 2.079 0.000 -1.376) 2.493 5.175 ( 2.079 0.000 1.376) 2.493 5.385 ( 4.022 0.000 -1.473) 4.283 5.385 ( 4.022 0.000 1.473) 4.283 5.730 ( -9.887 0.000 -6.875) 12.042 5.730 ( -9.887 0.000 6.875) 12.042 6.108 ( -19.504 0.000 -0.434) 19.508 6.108 ( -19.504 0.000 0.434) 19.508 6.178 ( 1.606 0.000 -17.882) 17.954 6.178 ( 1.606 0.000 17.882) 17.954 6.446 ( -5.022 0.000 -16.940) 17.668 6.446 ( -5.022 0.000 16.940) 17.668 7.179 ( 7.748 0.000 -13.885) 15.900 7.179 ( 7.748 0.000 13.885) 15.900 7.428 ( 5.213 0.000 -2.731) 5.885 7.428 ( 5.213 0.000 2.731) 5.885 7.590 ( 1.533 0.000 -4.841) 5.078 7.590 ( 1.533 0.000 4.841) 5.078 7.828 ( -2.770 0.000 -0.219) 2.779 7.828 ( -2.770 0.000 0.219) 2.779 8.522 ( 4.372 0.000 -7.912) 9.039 8.522 ( 4.372 0.000 7.912) 9.039 8.683 ( 2.453 0.000 -2.402) 3.433 8.683 ( 2.453 0.000 2.402) 3.433 8.868 ( -0.035 0.000 -16.747) 16.747 8.868 ( -0.035 0.000 16.747) 16.747 9.117 ( -5.315 0.000 -5.731) 7.816 9.117 ( -5.315 0.000 5.731) 7.816 10.342 ( 0.894 0.000 -5.204) 5.280 10.342 ( 0.894 0.000 5.204) 5.280 10.372 ( 0.119 0.000 -0.996) 1.003 10.372 ( 0.119 0.000 0.996) 1.003 10.827 ( 0.484 0.000 -0.310) 0.575 10.827 ( 0.484 0.000 0.310) 0.575 10.852 ( -0.663 0.000 -0.698) 0.962 10.852 ( -0.663 0.000 0.698) 0.962 12.298 ( 3.030 0.000 -8.523) 9.046 12.298 ( 3.030 0.000 8.523) 9.046 12.574 ( -5.470 0.000 -2.808) 6.148 12.574 ( -5.470 0.000 2.808) 6.148 14.698 ( 1.364 0.000 -3.239) 3.514 14.698 ( 1.364 0.000 3.239) 3.514 14.905 ( -3.434 0.000 -3.134) 4.649 14.905 ( -3.434 0.000 3.134) 4.649 15.664 ( 4.329 0.000 -3.317) 5.454 15.664 ( 4.329 0.000 3.317) 5.454 15.967 ( -2.026 0.000 -0.004) 2.026 15.967 ( -2.026 0.000 0.004) 2.026 17.109 ( -1.254 0.000 -10.945) 11.017 17.109 ( -1.254 0.000 10.945) 11.017 17.517 ( -10.080 0.000 -0.972) 10.127 17.517 ( -10.080 0.000 0.972) 10.127 18.577 ( 1.981 0.000 -2.796) 3.427 18.577 ( 1.981 0.000 2.796) 3.427 18.657 ( -0.004 0.000 -4.865) 4.865 18.657 ( -0.004 0.000 4.865) 4.865 21.889 ( 4.383 0.000 -0.067) 4.383 21.889 ( 4.383 0.000 0.067) 4.383 22.008 ( 1.302 0.000 -3.559) 3.790 22.008 ( 1.302 0.000 3.559) 3.790 22.333 ( 1.330 0.000 -6.325) 6.464 22.333 ( 1.330 0.000 6.325) 6.464 22.488 ( -3.012 0.000 -3.429) 4.564 22.488 ( -3.012 0.000 3.429) 4.564 ======================= Grid point 233 (80/90) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.419 ( 2.789 0.000 -8.193) 8.655 2.419 ( 2.789 0.000 8.193) 8.655 2.456 ( -0.365 0.000 -6.657) 6.667 2.456 ( -0.365 0.000 6.657) 6.667 2.918 ( 1.893 0.000 -15.250) 15.367 2.918 ( 1.893 0.000 15.250) 15.367 2.959 ( -1.807 0.000 -15.028) 15.136 2.959 ( -1.807 0.000 15.028) 15.136 3.258 ( 3.836 0.000 -1.931) 4.295 3.258 ( 3.836 0.000 1.931) 4.295 3.305 ( -1.204 0.000 -1.442) 1.878 3.305 ( -1.204 0.000 1.442) 1.878 3.966 ( 4.502 0.000 -4.810) 6.588 3.966 ( 4.502 0.000 4.810) 6.588 4.033 ( -2.153 0.000 -6.200) 6.563 4.033 ( -2.153 0.000 6.200) 6.563 4.414 ( 6.889 0.000 -2.046) 7.186 4.414 ( 6.889 0.000 2.046) 7.186 4.546 ( -6.041 0.000 -2.326) 6.473 4.546 ( -6.041 0.000 2.326) 6.473 5.289 ( 9.565 0.000 -1.111) 9.629 5.289 ( 9.565 0.000 1.111) 9.629 5.462 ( -0.529 0.000 -1.743) 1.822 5.462 ( -0.529 0.000 1.743) 1.822 5.547 ( -3.364 0.000 -1.162) 3.559 5.547 ( -3.364 0.000 1.162) 3.559 5.735 ( -16.617 0.000 -0.677) 16.630 5.735 ( -16.617 0.000 0.677) 16.630 6.255 ( 4.868 0.000 -21.102) 21.656 6.255 ( 4.868 0.000 21.102) 21.656 6.351 ( -4.955 0.000 -19.931) 20.538 6.351 ( -4.955 0.000 19.931) 20.538 7.341 ( 8.227 0.000 -11.106) 13.821 7.341 ( 8.227 0.000 11.106) 13.821 7.459 ( -2.978 0.000 -7.173) 7.767 7.459 ( -2.978 0.000 7.173) 7.767 7.637 ( 4.322 0.000 -2.246) 4.871 7.637 ( 4.322 0.000 2.246) 4.871 7.739 ( -5.647 0.000 -1.228) 5.778 7.739 ( -5.647 0.000 1.228) 5.778 8.619 ( 5.077 0.000 -5.308) 7.345 8.619 ( 5.077 0.000 5.308) 7.345 8.694 ( -2.025 0.000 -0.768) 2.166 8.694 ( -2.025 0.000 0.768) 2.166 8.901 ( 4.063 0.000 -15.120) 15.656 8.901 ( 4.063 0.000 15.120) 15.656 9.005 ( -6.073 0.000 -10.113) 11.796 9.005 ( -6.073 0.000 10.113) 11.796 10.358 ( 0.792 0.000 -3.443) 3.533 10.358 ( 0.792 0.000 3.443) 3.533 10.370 ( -0.364 0.000 -1.211) 1.264 10.370 ( -0.364 0.000 1.211) 1.264 10.835 ( 0.347 0.000 -0.332) 0.481 10.835 ( 0.347 0.000 0.332) 0.481 10.842 ( -0.407 0.000 -0.259) 0.483 10.842 ( -0.407 0.000 0.259) 0.483 12.370 ( 4.481 0.000 -7.940) 9.117 12.370 ( 4.481 0.000 7.940) 9.117 12.467 ( -5.463 0.000 -5.940) 8.070 12.467 ( -5.463 0.000 5.940) 8.070 14.744 ( 3.443 0.000 -3.609) 4.988 14.744 ( 3.443 0.000 3.609) 4.988 14.824 ( -4.570 0.000 -3.642) 5.844 14.824 ( -4.570 0.000 3.642) 5.844 15.769 ( 6.366 0.000 -2.534) 6.852 15.769 ( 6.366 0.000 2.534) 6.852 15.891 ( -5.663 0.000 -0.828) 5.723 15.891 ( -5.663 0.000 0.828) 5.723 17.158 ( 6.119 0.000 -7.282) 9.512 17.158 ( 6.119 0.000 7.282) 9.512 17.320 ( -9.965 0.000 -2.966) 10.397 17.320 ( -9.965 0.000 2.966) 10.397 18.616 ( 1.902 0.000 -3.350) 3.852 18.616 ( 1.902 0.000 3.350) 3.852 18.646 ( -1.147 0.000 -4.144) 4.300 18.646 ( -1.147 0.000 4.144) 4.300 21.966 ( 3.354 0.000 -1.225) 3.570 21.966 ( 3.354 0.000 1.225) 3.570 22.010 ( -1.118 0.000 -2.372) 2.623 22.010 ( -1.118 0.000 2.372) 2.623 22.370 ( 2.542 0.000 -5.681) 6.224 22.370 ( 2.542 0.000 5.681) 6.224 22.427 ( -3.223 0.000 -4.662) 5.668 22.427 ( -3.223 0.000 4.662) 5.668 ======================= Grid point 243 (81/90) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( 0.000 3.825 -15.175) 15.649 2.057 ( 0.000 3.825 15.175) 15.649 2.338 ( 0.000 -7.448 -6.660) 9.991 2.338 ( 0.000 -7.448 6.660) 9.991 2.781 ( 0.000 1.762 -17.151) 17.241 2.781 ( 0.000 1.762 17.151) 17.241 2.870 ( 0.000 -1.144 -8.984) 9.057 2.870 ( 0.000 -1.144 8.984) 9.057 3.031 ( 0.000 3.016 -4.045) 5.045 3.031 ( 0.000 3.016 4.045) 5.045 3.233 ( 0.000 -4.942 -7.451) 8.942 3.233 ( 0.000 -4.942 7.451) 8.942 3.886 ( 0.000 2.479 -1.025) 2.683 3.886 ( 0.000 2.479 1.025) 2.683 3.985 ( 0.000 -1.379 -3.444) 3.710 3.985 ( 0.000 -1.379 3.444) 3.710 4.311 ( 0.000 5.585 -6.224) 8.363 4.311 ( 0.000 5.585 6.224) 8.363 4.635 ( 0.000 -6.802 -9.288) 11.512 4.635 ( 0.000 -6.802 9.288) 11.512 5.150 ( 0.000 7.048 -2.329) 7.423 5.150 ( 0.000 7.048 2.329) 7.423 5.436 ( 0.000 -4.130 -6.255) 7.495 5.436 ( 0.000 -4.130 6.255) 7.495 5.980 ( 0.000 5.918 -18.350) 19.281 5.980 ( 0.000 5.918 18.350) 19.281 6.204 ( 0.000 -0.849 -0.642) 1.064 6.204 ( 0.000 -0.849 0.642) 1.064 6.605 ( 0.000 -1.636 -16.654) 16.734 6.605 ( 0.000 -1.636 16.654) 16.734 6.613 ( 0.000 -4.363 -19.860) 20.333 6.613 ( 0.000 -4.363 19.860) 20.333 7.236 ( 0.000 -2.143 -7.336) 7.642 7.236 ( 0.000 -2.143 7.336) 7.642 7.291 ( 0.000 -4.197 -5.550) 6.958 7.291 ( 0.000 -4.197 5.550) 6.958 7.523 ( 0.000 6.974 -6.125) 9.282 7.523 ( 0.000 6.974 6.125) 9.282 7.569 ( 0.000 4.309 -6.513) 7.809 7.569 ( 0.000 4.309 6.513) 7.809 8.449 ( 0.000 -1.380 -14.133) 14.200 8.449 ( 0.000 -1.380 14.133) 14.200 8.520 ( 0.000 -5.579 -11.346) 12.643 8.520 ( 0.000 -5.579 11.346) 12.643 8.984 ( 0.000 7.372 -11.621) 13.763 8.984 ( 0.000 7.372 11.621) 13.763 9.229 ( 0.000 -3.264 -5.329) 6.249 9.229 ( 0.000 -3.264 5.329) 6.249 10.318 ( 0.000 0.904 -4.995) 5.076 10.318 ( 0.000 0.904 4.995) 5.076 10.346 ( 0.000 -0.182 -1.760) 1.769 10.346 ( 0.000 -0.182 1.760) 1.769 10.828 ( 0.000 0.416 -1.727) 1.777 10.828 ( 0.000 0.416 1.727) 1.777 10.869 ( 0.000 -1.157 -1.684) 2.043 10.869 ( 0.000 -1.157 1.684) 2.043 12.296 ( 0.000 6.480 -5.723) 8.645 12.296 ( 0.000 6.480 5.723) 8.645 12.666 ( 0.000 -7.878 -2.739) 8.341 12.666 ( 0.000 -7.878 2.739) 8.341 14.759 ( 0.000 3.771 -2.967) 4.799 14.759 ( 0.000 3.771 2.967) 4.799 14.906 ( 0.000 -2.154 -2.424) 3.243 14.906 ( 0.000 -2.154 2.424) 3.243 15.616 ( 0.000 5.227 -3.120) 6.088 15.616 ( 0.000 5.227 3.120) 6.088 15.917 ( 0.000 -6.313 -6.738) 9.233 15.917 ( 0.000 -6.313 6.738) 9.233 17.453 ( 0.000 5.970 -9.489) 11.210 17.453 ( 0.000 5.970 9.489) 11.210 17.766 ( 0.000 -6.231 -9.243) 11.147 17.766 ( 0.000 -6.231 9.243) 11.147 18.547 ( 0.000 1.115 -4.555) 4.689 18.547 ( 0.000 1.115 4.555) 4.689 18.594 ( 0.000 -0.736 -5.457) 5.506 18.594 ( 0.000 -0.736 5.457) 5.506 21.742 ( 0.000 1.657 -2.491) 2.992 21.742 ( 0.000 1.657 2.491) 2.992 21.863 ( 0.000 -3.455 -4.255) 5.480 21.863 ( 0.000 -3.455 4.255) 5.480 22.368 ( 0.000 4.846 -4.466) 6.590 22.368 ( 0.000 4.846 4.466) 6.590 22.552 ( 0.000 -2.670 -0.737) 2.770 22.552 ( 0.000 -2.670 0.737) 2.770 ======================= Grid point 245 (82/90) ======================= q-point: ( 0.11 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( 6.572 2.216 -12.779) 14.539 2.125 ( 6.572 2.216 12.779) 14.539 2.336 ( 0.048 -5.400 -7.320) 9.096 2.336 ( 0.048 -5.400 7.320) 9.096 2.816 ( 3.295 2.696 -15.405) 15.982 2.816 ( 3.295 2.696 15.405) 15.982 2.869 ( 0.165 -0.350 -9.502) 9.510 2.869 ( 0.165 -0.350 9.502) 9.510 3.059 ( 2.383 1.375 -2.839) 3.953 3.059 ( 2.383 1.375 2.839) 3.953 3.231 ( 0.173 -4.824 -7.473) 8.897 3.231 ( 0.173 -4.824 7.473) 8.897 3.874 ( -1.034 1.800 -0.190) 2.084 3.874 ( -1.034 1.800 0.190) 2.084 3.991 ( 0.667 -1.239 -3.616) 3.880 3.991 ( 0.667 -1.239 3.616) 3.880 4.312 ( 0.132 5.762 -6.004) 8.323 4.312 ( 0.132 5.762 6.004) 8.323 4.635 ( -0.135 -6.373 -8.803) 10.869 4.635 ( -0.135 -6.373 8.803) 10.869 5.169 ( 1.645 5.366 -2.319) 6.073 5.169 ( 1.645 5.366 2.319) 6.073 5.393 ( -3.534 -2.417 -5.387) 6.881 5.393 ( -3.534 -2.417 5.387) 6.881 5.965 ( -1.638 4.622 -15.409) 16.171 5.965 ( -1.638 4.622 15.409) 16.171 6.173 ( -2.958 -1.965 -1.015) 3.694 6.173 ( -2.958 -1.965 1.015) 3.694 6.560 ( -2.281 -0.695 -14.794) 14.985 6.560 ( -2.281 -0.695 14.794) 14.985 6.652 ( -0.412 -3.523 -13.236) 13.703 6.652 ( -0.412 -3.523 13.236) 13.703 7.176 ( -2.648 -0.536 -8.063) 8.503 7.176 ( -2.648 -0.536 8.063) 8.503 7.305 ( -9.130 3.398 -6.206) 11.551 7.305 ( -9.130 3.398 6.206) 11.551 7.410 ( 7.022 -2.545 -5.379) 9.204 7.410 ( 7.022 -2.545 5.379) 9.204 7.737 ( 7.147 3.866 -6.788) 10.587 7.737 ( 7.147 3.866 6.788) 10.587 8.446 ( 0.039 -1.346 -11.854) 11.931 8.446 ( 0.039 -1.346 11.854) 11.931 8.543 ( 2.075 -4.521 -10.362) 11.495 8.543 ( 2.075 -4.521 10.362) 11.495 8.968 ( -1.384 6.593 -11.970) 13.735 8.968 ( -1.384 6.593 11.970) 13.735 9.220 ( -1.166 -2.865 -4.279) 5.280 9.220 ( -1.166 -2.865 4.279) 5.280 10.323 ( 0.543 0.951 -4.860) 4.981 10.323 ( 0.543 0.951 4.860) 4.981 10.354 ( 0.727 -0.108 -1.318) 1.509 10.354 ( 0.727 -0.108 1.318) 1.509 10.814 ( -1.060 -0.502 -1.316) 1.763 10.814 ( -1.060 -0.502 1.316) 1.763 10.875 ( 0.277 -0.314 -1.586) 1.640 10.875 ( 0.277 -0.314 1.586) 1.640 12.297 ( 0.167 6.030 -6.084) 8.568 12.297 ( 0.167 6.030 6.084) 8.568 12.651 ( -1.593 -7.293 -2.146) 7.768 12.651 ( -1.593 -7.293 2.146) 7.768 14.745 ( -1.230 3.420 -2.938) 4.673 14.745 ( -1.230 3.420 2.938) 4.673 14.917 ( 0.825 -2.045 -2.532) 3.357 14.917 ( 0.825 -2.045 2.532) 3.357 15.623 ( 0.607 4.596 -3.510) 5.815 15.623 ( 0.607 4.596 3.510) 5.815 15.921 ( 0.552 -5.436 -5.423) 7.698 15.921 ( 0.552 -5.436 5.423) 7.698 17.371 ( -7.483 3.864 -9.572) 12.749 17.371 ( -7.483 3.864 9.572) 12.749 17.753 ( -2.061 -4.031 -8.185) 9.354 17.753 ( -2.061 -4.031 8.185) 9.354 18.540 ( -0.239 0.594 -3.980) 4.031 18.540 ( -0.239 0.594 3.980) 4.031 18.616 ( 1.675 -0.328 -5.505) 5.763 18.616 ( 1.675 -0.328 5.505) 5.763 21.763 ( 2.166 1.591 -2.179) 3.460 21.763 ( 2.166 1.591 2.179) 3.460 21.884 ( 2.050 -3.290 -3.934) 5.523 21.884 ( 2.050 -3.290 3.934) 5.523 22.363 ( -0.460 4.267 -4.737) 6.392 22.363 ( -0.460 4.267 4.737) 6.392 22.545 ( -0.715 -2.261 -1.233) 2.673 22.545 ( -0.715 -2.261 1.233) 2.673 ======================= Grid point 247 (83/90) ======================= q-point: ( 0.22 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.274 ( 7.861 -0.324 -8.480) 11.568 2.274 ( 7.861 -0.324 8.480) 11.568 2.349 ( 1.381 -1.439 -6.669) 6.960 2.349 ( 1.381 -1.439 6.669) 6.960 2.866 ( 1.303 1.063 -10.317) 10.453 2.866 ( 1.303 1.063 10.317) 10.453 2.907 ( 3.591 0.560 -8.782) 9.504 2.907 ( 3.591 0.560 8.782) 9.504 3.105 ( 2.740 1.030 -1.669) 3.370 3.105 ( 2.740 1.030 1.669) 3.370 3.252 ( 1.949 -3.773 -6.629) 7.873 3.252 ( 1.949 -3.773 6.629) 7.873 3.860 ( 0.035 1.025 -1.273) 1.634 3.860 ( 0.035 1.025 1.273) 1.634 4.010 ( 1.200 -1.366 -4.386) 4.748 4.010 ( 1.200 -1.366 4.386) 4.748 4.322 ( 1.118 5.742 -5.147) 7.792 4.322 ( 1.118 5.742 5.147) 7.792 4.627 ( -0.743 -5.271 -6.776) 8.617 4.627 ( -0.743 -5.271 6.776) 8.617 5.180 ( -1.152 1.558 -2.213) 2.941 5.180 ( -1.152 1.558 2.213) 2.941 5.359 ( 1.186 1.349 -4.206) 4.573 5.359 ( 1.186 1.349 4.206) 4.573 5.904 ( -5.226 2.653 -12.957) 14.221 5.904 ( -5.226 2.653 12.957) 14.221 6.111 ( -3.055 -3.795 -8.141) 9.487 6.111 ( -3.055 -3.795 8.141) 9.487 6.448 ( -11.552 -0.815 -7.275) 13.677 6.448 ( -11.552 -0.815 7.275) 13.677 6.575 ( -5.698 0.544 -11.066) 12.459 6.575 ( -5.698 0.544 11.066) 12.459 7.113 ( -0.782 3.069 -11.775) 12.193 7.113 ( -0.782 3.069 11.775) 12.193 7.297 ( 5.531 -1.753 -5.019) 7.672 7.297 ( 5.531 -1.753 5.019) 7.672 7.542 ( 5.983 -0.064 -4.031) 7.214 7.542 ( 5.983 -0.064 4.031) 7.214 7.819 ( 1.561 0.115 -4.403) 4.673 7.819 ( 1.561 0.115 4.403) 4.673 8.464 ( 2.062 -0.166 -9.304) 9.531 8.464 ( 2.062 -0.166 9.304) 9.531 8.589 ( 2.661 -3.239 -8.484) 9.463 8.589 ( 2.661 -3.239 8.484) 9.463 8.940 ( -1.407 4.983 -12.497) 13.527 8.940 ( -1.407 4.983 12.497) 13.527 9.177 ( -3.323 -2.335 -4.048) 5.734 9.177 ( -3.323 -2.335 4.048) 5.734 10.336 ( 0.761 0.907 -5.167) 5.301 10.336 ( 0.761 0.907 5.167) 5.301 10.369 ( 0.619 0.152 -0.342) 0.723 10.369 ( 0.619 0.152 0.342) 0.723 10.799 ( -0.297 -1.408 -1.364) 1.983 10.799 ( -0.297 -1.408 1.364) 1.983 10.875 ( -0.206 0.491 -1.377) 1.477 10.875 ( -0.206 0.491 1.377) 1.477 12.306 ( 0.824 4.829 -6.970) 8.519 12.306 ( 0.824 4.829 6.970) 8.519 12.605 ( -3.127 -5.703 -2.025) 6.811 12.605 ( -3.127 -5.703 2.025) 6.811 14.722 ( -0.924 2.656 -3.029) 4.133 14.722 ( -0.924 2.656 3.029) 4.133 14.923 ( -0.545 -1.875 -3.016) 3.593 14.923 ( -0.545 -1.875 3.016) 3.593 15.639 ( 1.273 3.039 -4.319) 5.432 15.639 ( 1.273 3.039 4.319) 5.432 15.940 ( 1.284 -3.344 -3.100) 4.738 15.940 ( 1.284 -3.344 3.100) 4.738 17.213 ( -7.760 1.556 -10.566) 13.201 17.213 ( -7.760 1.556 10.566) 13.201 17.670 ( -6.537 -1.614 -5.716) 8.832 17.670 ( -6.537 -1.614 5.716) 8.832 18.548 ( 1.118 0.249 -3.050) 3.258 18.548 ( 1.118 0.249 3.050) 3.258 18.644 ( 1.150 -0.152 -5.358) 5.483 18.644 ( 1.150 -0.152 5.358) 5.483 21.822 ( 3.784 1.412 -1.393) 4.272 21.822 ( 3.784 1.412 1.393) 4.272 21.934 ( 2.853 -2.837 -3.218) 5.152 21.934 ( 2.853 -2.837 3.218) 5.152 22.355 ( -0.315 3.053 -5.279) 6.106 22.355 ( -0.315 3.053 5.279) 6.106 22.522 ( -1.745 -1.474 -2.417) 3.326 22.522 ( -1.745 -1.474 2.417) 3.326 ======================= Grid point 249 (84/90) ======================= q-point: ( 0.33 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.377 ( 2.609 0.436 -9.229) 9.601 2.377 ( 2.609 0.436 9.229) 9.601 2.408 ( 4.448 -0.587 -6.859) 8.196 2.408 ( 4.448 -0.587 6.859) 8.196 2.888 ( 0.992 -0.172 -12.212) 12.253 2.888 ( 0.992 -0.172 12.212) 12.253 2.947 ( 0.522 -1.636 -13.078) 13.190 2.947 ( 0.522 -1.636 13.078) 13.190 3.185 ( 5.100 2.017 -3.305) 6.403 3.185 ( 5.100 2.017 3.305) 6.403 3.289 ( 1.431 -1.977 -4.153) 4.817 3.289 ( 1.431 -1.977 4.153) 4.817 3.891 ( 3.322 0.748 -3.010) 4.545 3.891 ( 3.322 0.748 3.010) 4.545 4.030 ( 0.667 -1.333 -5.663) 5.855 4.030 ( 0.667 -1.333 5.663) 5.855 4.362 ( 3.235 4.983 -3.611) 6.952 4.362 ( 3.235 4.983 3.611) 6.952 4.605 ( -1.669 -3.345 -2.907) 4.736 4.605 ( -1.669 -3.345 2.907) 4.736 5.166 ( 1.281 -0.065 -0.933) 1.586 5.166 ( 1.281 -0.065 0.933) 1.586 5.419 ( 4.131 2.449 -1.850) 5.146 5.419 ( 4.131 2.449 1.850) 5.146 5.759 ( -9.554 2.551 -9.182) 13.494 5.759 ( -9.554 2.551 9.182) 13.494 5.991 ( -13.469 -7.078 -11.230) 18.912 5.991 ( -13.469 -7.078 11.230) 18.912 6.235 ( -3.924 2.113 -9.042) 10.081 6.235 ( -3.924 2.113 9.042) 10.081 6.469 ( -5.479 1.608 -15.829) 16.828 6.469 ( -5.479 1.608 15.829) 16.828 7.170 ( 5.618 -0.174 -12.844) 14.020 7.170 ( 5.618 -0.174 12.844) 14.020 7.407 ( 4.135 -1.950 -5.885) 7.452 7.407 ( 4.135 -1.950 5.885) 7.452 7.629 ( 3.390 3.238 -2.798) 5.459 7.629 ( 3.390 3.238 2.798) 5.459 7.813 ( -1.621 -1.433 -0.395) 2.199 7.813 ( -1.621 -1.433 0.395) 2.199 8.528 ( 4.372 0.572 -7.525) 8.721 8.528 ( 4.372 0.572 7.525) 8.721 8.642 ( 2.618 -2.826 -6.003) 7.132 8.642 ( 2.618 -2.826 6.003) 7.132 8.915 ( -1.065 3.454 -13.151) 13.638 8.915 ( -1.065 3.454 13.151) 13.638 9.095 ( -5.058 -1.961 -6.778) 8.682 9.095 ( -5.058 -1.961 6.778) 8.682 10.349 ( 0.599 0.560 -5.647) 5.706 10.349 ( 0.599 0.560 5.647) 5.706 10.376 ( 0.117 0.328 -1.327) 1.372 10.376 ( 0.117 0.328 1.327) 1.372 10.804 ( 0.766 -1.423 -1.529) 2.225 10.804 ( 0.766 -1.423 1.529) 2.225 10.867 ( -0.644 0.747 -0.728) 1.226 10.867 ( -0.644 0.747 0.728) 1.226 12.332 ( 1.991 3.140 -7.804) 8.645 12.332 ( 1.991 3.140 7.804) 8.645 12.535 ( -4.083 -3.491 -4.298) 6.880 12.535 ( -4.083 -3.491 4.298) 6.880 14.717 ( 0.651 1.607 -3.292) 3.721 14.717 ( 0.651 1.607 3.292) 3.721 14.889 ( -3.025 -1.392 -3.684) 4.966 14.889 ( -3.025 -1.392 3.684) 4.966 15.683 ( 3.585 1.585 -4.173) 5.726 15.683 ( 3.585 1.585 4.173) 5.726 15.948 ( -1.133 -1.509 -2.862) 3.428 15.948 ( -1.133 -1.509 2.862) 3.428 17.114 ( -1.695 0.449 -10.378) 10.526 17.114 ( -1.695 0.449 10.378) 10.526 17.511 ( -9.647 -0.497 -3.304) 10.209 17.511 ( -9.647 -0.497 3.304) 10.209 18.579 ( 1.914 0.101 -2.823) 3.412 18.579 ( 1.914 0.101 2.823) 3.412 18.656 ( 0.030 -0.087 -4.881) 4.882 18.656 ( 0.030 -0.087 4.881) 4.882 21.900 ( 4.092 1.047 -0.439) 4.246 21.900 ( 4.092 1.047 0.439) 4.246 21.983 ( 1.977 -2.044 -2.395) 3.718 21.983 ( 1.977 -2.044 2.395) 3.718 22.356 ( 0.527 1.813 -5.648) 5.955 22.356 ( 0.527 1.813 5.648) 5.955 22.479 ( -2.656 -0.789 -3.660) 4.590 22.479 ( -2.656 -0.789 3.660) 4.590 ======================= Grid point 251 (85/90) ======================= q-point: ( 0.44 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.425 ( 2.371 0.524 -7.684) 8.058 2.425 ( 2.371 0.524 7.684) 8.058 2.453 ( 0.043 -0.310 -6.817) 6.824 2.453 ( 0.043 -0.310 6.817) 6.824 2.910 ( 1.509 -0.464 -14.679) 14.764 2.910 ( 1.509 -0.464 14.679) 14.764 2.940 ( -1.170 -1.572 -14.754) 14.884 2.940 ( -1.170 -1.572 14.754) 14.884 3.267 ( 2.980 0.773 -1.576) 3.458 3.267 ( 2.980 0.773 1.576) 3.458 3.299 ( -0.478 -0.531 -1.107) 1.318 3.299 ( -0.478 -0.531 1.107) 1.318 3.970 ( 4.051 0.304 -5.373) 6.736 3.970 ( 4.051 0.304 5.373) 6.736 4.025 ( -1.474 -0.571 -6.497) 6.686 4.025 ( -1.474 -0.571 6.497) 6.686 4.448 ( 5.482 3.006 -2.397) 6.696 4.448 ( 5.482 3.006 2.397) 6.696 4.549 ( -4.360 -0.241 -1.675) 4.677 4.549 ( -4.360 -0.241 1.675) 4.677 5.269 ( 9.740 -1.256 -1.933) 10.009 5.269 ( 9.740 -1.256 1.933) 10.009 5.478 ( -4.015 1.125 -3.163) 5.233 5.478 ( -4.015 1.125 3.163) 5.233 5.571 ( -3.635 1.780 -5.245) 6.625 5.571 ( -3.635 1.780 5.245) 6.625 5.703 ( -12.308 -2.475 -2.065) 12.724 5.703 ( -12.308 -2.475 2.065) 12.724 6.266 ( 4.380 0.731 -16.938) 17.510 6.266 ( 4.380 0.731 16.938) 17.510 6.364 ( -5.434 1.003 -17.985) 18.814 6.364 ( -5.434 1.003 17.985) 18.814 7.296 ( 6.876 -2.874 -11.282) 13.521 7.296 ( 6.876 -2.874 11.282) 13.521 7.409 ( -3.898 -3.598 -9.070) 10.507 7.409 ( -3.898 -3.598 9.070) 10.507 7.699 ( 4.060 4.434 -1.573) 6.214 7.699 ( 4.060 4.434 1.573) 6.214 7.769 ( -2.945 1.809 -1.456) 3.750 7.769 ( -2.945 1.809 1.456) 3.750 8.616 ( 4.267 -0.149 -5.099) 6.650 8.616 ( 4.267 -0.149 5.099) 6.650 8.669 ( -0.603 -1.956 -2.949) 3.590 8.669 ( -0.603 -1.956 2.949) 3.590 8.918 ( 2.039 1.348 -12.980) 13.209 8.918 ( 2.039 1.348 12.980) 13.209 8.993 ( -5.154 -1.060 -10.144) 11.427 8.993 ( -5.154 -1.060 10.144) 11.427 10.361 ( 0.634 0.199 -4.941) 4.986 10.361 ( 0.634 0.199 4.941) 4.986 10.372 ( -0.459 0.180 -3.291) 3.328 10.372 ( -0.459 0.180 3.291) 3.328 10.825 ( 1.313 -0.554 -1.249) 1.895 10.825 ( 1.313 -0.554 1.249) 1.895 10.850 ( -1.150 0.349 -0.497) 1.301 10.850 ( -1.150 0.349 0.497) 1.301 12.383 ( 3.259 1.141 -7.853) 8.579 12.383 ( 3.259 1.141 7.853) 8.579 12.455 ( -4.092 -1.104 -6.628) 7.867 12.455 ( -4.092 -1.104 6.628) 7.867 14.750 ( 2.752 0.472 -3.685) 4.623 14.750 ( 2.752 0.472 3.685) 4.623 14.817 ( -3.983 -0.558 -3.943) 5.632 14.817 ( -3.983 -0.558 3.943) 5.632 15.776 ( 5.777 0.538 -2.839) 6.459 15.776 ( 5.777 0.538 2.839) 6.459 15.886 ( -5.057 -0.359 -1.820) 5.387 15.886 ( -5.057 -0.359 1.820) 5.387 17.159 ( 5.985 0.059 -7.260) 9.409 17.159 ( 5.985 0.059 7.260) 9.409 17.318 ( -9.826 -0.108 -3.810) 10.539 17.318 ( -9.826 -0.108 3.810) 10.539 18.616 ( 1.857 0.021 -3.342) 3.823 18.616 ( 1.857 0.021 3.342) 3.823 18.645 ( -1.112 -0.038 -4.141) 4.288 18.645 ( -1.112 -0.038 4.141) 4.288 21.969 ( 2.803 0.311 -0.695) 2.904 21.969 ( 2.803 0.311 0.695) 2.904 22.000 ( -0.343 -0.855 -1.578) 1.828 22.000 ( -0.343 -0.855 1.578) 1.828 22.378 ( 1.875 0.682 -5.519) 5.868 22.378 ( 1.875 0.682 5.519) 5.868 22.425 ( -2.799 -0.171 -4.759) 5.524 22.425 ( -2.799 -0.171 4.759) 5.524 ======================= Grid point 261 (86/90) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( 0.000 -7.381 -12.849) 14.818 2.174 ( 0.000 7.381 -12.849) 14.818 2.174 ( 0.000 -7.381 12.849) 14.818 2.174 ( 0.000 7.381 12.849) 14.818 2.830 ( 0.000 -2.540 -14.542) 14.762 2.830 ( 0.000 2.540 -14.542) 14.762 2.830 ( 0.000 -2.540 14.542) 14.762 2.830 ( 0.000 2.540 14.542) 14.762 3.118 ( 0.000 -5.380 -1.114) 5.494 3.118 ( 0.000 -5.380 1.114) 5.494 3.118 ( 0.000 5.380 -1.114) 5.494 3.118 ( 0.000 5.380 1.114) 5.494 3.943 ( 0.000 -2.506 -2.353) 3.437 3.943 ( 0.000 2.506 -2.353) 3.437 3.943 ( 0.000 -2.506 2.353) 3.437 3.943 ( 0.000 2.506 2.353) 3.437 4.466 ( 0.000 -8.780 -9.116) 12.657 4.466 ( 0.000 8.780 -9.116) 12.657 4.466 ( 0.000 -8.780 9.116) 12.657 4.466 ( 0.000 8.780 9.116) 12.657 5.311 ( 0.000 -7.645 -3.212) 8.293 5.311 ( 0.000 -7.645 3.212) 8.293 5.311 ( 0.000 7.645 -3.212) 8.293 5.311 ( 0.000 7.645 3.212) 8.293 6.124 ( 0.000 -6.783 -8.253) 10.682 6.124 ( 0.000 6.783 -8.253) 10.682 6.124 ( 0.000 -6.783 8.253) 10.682 6.124 ( 0.000 6.783 8.253) 10.682 6.572 ( 0.000 -0.667 -21.219) 21.229 6.572 ( 0.000 0.667 -21.219) 21.229 6.572 ( 0.000 -0.667 21.219) 21.229 6.572 ( 0.000 0.667 21.219) 21.229 7.230 ( 0.000 -0.658 -7.709) 7.737 7.230 ( 0.000 0.658 -7.709) 7.737 7.230 ( 0.000 -0.658 7.709) 7.737 7.230 ( 0.000 0.658 7.709) 7.737 7.612 ( 0.000 -0.147 -7.747) 7.748 7.612 ( 0.000 0.147 -7.747) 7.748 7.612 ( 0.000 -0.147 7.747) 7.748 7.612 ( 0.000 0.147 7.747) 7.748 8.441 ( 0.000 -1.277 -12.418) 12.484 8.441 ( 0.000 1.277 -12.418) 12.484 8.441 ( 0.000 -1.277 12.418) 12.484 8.441 ( 0.000 1.277 12.418) 12.484 9.130 ( 0.000 -6.150 -8.492) 10.485 9.130 ( 0.000 6.150 -8.492) 10.485 9.130 ( 0.000 -6.150 8.492) 10.485 9.130 ( 0.000 6.150 8.492) 10.485 10.337 ( 0.000 -0.775 -1.896) 2.048 10.337 ( 0.000 0.775 -1.896) 2.048 10.337 ( 0.000 -0.775 1.896) 2.048 10.337 ( 0.000 0.775 1.896) 2.048 10.844 ( 0.000 -0.886 -1.940) 2.133 10.844 ( 0.000 0.886 -1.940) 2.133 10.844 ( 0.000 -0.886 1.940) 2.133 10.844 ( 0.000 0.886 1.940) 2.133 12.472 ( 0.000 -9.935 -2.792) 10.319 12.472 ( 0.000 -9.935 2.792) 10.319 12.472 ( 0.000 9.935 -2.792) 10.319 12.472 ( 0.000 9.935 2.792) 10.319 14.843 ( 0.000 -3.782 -3.036) 4.849 14.843 ( 0.000 3.782 -3.036) 4.849 14.843 ( 0.000 -3.782 3.036) 4.849 14.843 ( 0.000 3.782 3.036) 4.849 15.759 ( 0.000 -8.030 -5.453) 9.707 15.759 ( 0.000 -8.030 5.453) 9.707 15.759 ( 0.000 8.030 -5.453) 9.707 15.759 ( 0.000 8.030 5.453) 9.707 17.608 ( 0.000 -7.713 -7.412) 10.697 17.608 ( 0.000 7.713 -7.412) 10.697 17.608 ( 0.000 -7.713 7.412) 10.697 17.608 ( 0.000 7.713 7.412) 10.697 18.573 ( 0.000 -0.985 -5.220) 5.313 18.573 ( 0.000 0.985 -5.220) 5.313 18.573 ( 0.000 -0.985 5.220) 5.313 18.573 ( 0.000 0.985 5.220) 5.313 21.792 ( 0.000 -3.108 -2.834) 4.206 21.792 ( 0.000 3.108 -2.834) 4.206 21.792 ( 0.000 -3.108 2.834) 4.206 21.792 ( 0.000 3.108 2.834) 4.206 22.473 ( 0.000 -4.724 -1.725) 5.029 22.473 ( 0.000 -4.724 1.725) 5.029 22.473 ( 0.000 4.724 -1.725) 5.029 22.473 ( 0.000 4.724 1.725) 5.029 ======================= Grid point 265 (87/90) ======================= q-point: ( 0.11 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.175 ( 2.704 -0.000 -13.615) 13.881 2.175 ( 2.704 0.000 13.615) 13.881 2.247 ( 4.522 0.000 -11.584) 12.435 2.247 ( 4.522 -0.000 11.584) 12.435 2.840 ( 1.686 0.000 -14.782) 14.878 2.840 ( 1.686 0.000 14.782) 14.878 2.875 ( 3.187 0.000 -17.446) 17.735 2.875 ( 3.187 0.000 17.446) 17.735 3.119 ( 0.448 -0.000 -1.439) 1.507 3.119 ( 0.448 0.000 1.439) 1.507 3.124 ( 0.905 -0.000 -1.715) 1.939 3.124 ( 0.905 -0.000 1.715) 1.939 3.902 ( -2.129 -0.000 -1.403) 2.550 3.902 ( -2.129 0.000 1.403) 2.550 3.971 ( 1.148 0.000 -3.377) 3.567 3.971 ( 1.148 0.000 3.377) 3.567 4.467 ( 0.265 -0.000 -9.872) 9.875 4.467 ( 0.265 0.000 9.872) 9.875 4.471 ( 0.260 0.000 -8.367) 8.371 4.471 ( 0.260 -0.000 8.367) 8.371 5.271 ( -2.953 0.000 -2.902) 4.140 5.271 ( -2.953 0.000 2.902) 4.140 5.330 ( 1.284 0.000 -3.766) 3.979 5.330 ( 1.284 -0.000 3.766) 3.979 6.075 ( -4.887 -0.000 -8.077) 9.440 6.075 ( -4.887 0.000 8.077) 9.440 6.093 ( -2.427 -0.000 -13.302) 13.522 6.093 ( -2.427 -0.000 13.302) 13.522 6.568 ( -1.614 0.000 -13.410) 13.507 6.568 ( -1.614 -0.000 13.410) 13.507 6.597 ( 1.059 0.000 -21.932) 21.957 6.597 ( 1.059 -0.000 21.932) 21.957 7.171 ( 0.759 0.000 -7.754) 7.791 7.171 ( 0.759 0.000 7.754) 7.791 7.343 ( -9.183 0.000 -7.830) 12.068 7.343 ( -9.183 0.000 7.830) 12.068 7.383 ( 4.225 0.000 -8.540) 9.528 7.383 ( 4.225 0.000 8.540) 9.528 7.784 ( 5.306 0.000 -8.586) 10.093 7.784 ( 5.306 0.000 8.586) 10.093 8.432 ( 0.626 0.000 -11.299) 11.316 8.432 ( 0.626 0.000 11.299) 11.316 8.486 ( 2.954 0.000 -12.978) 13.310 8.486 ( 2.954 -0.000 12.978) 13.310 9.070 ( -3.273 0.000 -10.444) 10.945 9.070 ( -3.273 0.000 10.444) 10.945 9.161 ( 0.277 -0.000 -6.549) 6.555 9.161 ( 0.277 -0.000 6.549) 6.555 10.339 ( 0.414 -0.000 -3.109) 3.137 10.339 ( 0.414 -0.000 3.109) 3.137 10.350 ( 1.014 0.000 -2.200) 2.423 10.350 ( 1.014 0.000 2.200) 2.423 10.807 ( -1.844 0.000 -1.650) 2.475 10.807 ( -1.844 0.000 1.650) 2.475 10.871 ( 0.962 0.000 -2.004) 2.223 10.871 ( 0.962 0.000 2.004) 2.223 12.436 ( -1.896 0.000 -2.714) 3.311 12.436 ( -1.896 -0.000 2.714) 3.311 12.496 ( 0.647 0.000 -4.016) 4.068 12.496 ( 0.647 0.000 4.016) 4.068 14.801 ( -2.209 0.000 -2.933) 3.672 14.801 ( -2.209 0.000 2.933) 3.672 14.879 ( 1.499 0.000 -3.348) 3.669 14.879 ( 1.499 0.000 3.348) 3.669 15.714 ( -2.052 0.000 -6.750) 7.055 15.714 ( -2.052 0.000 6.750) 7.055 15.819 ( 3.510 -0.000 -3.861) 5.218 15.819 ( 3.510 0.000 3.861) 5.218 17.431 ( -10.516 -0.000 -7.169) 12.727 17.431 ( -10.516 0.000 7.169) 12.727 17.691 ( 1.070 0.000 -7.947) 8.018 17.691 ( 1.070 -0.000 7.947) 8.018 18.548 ( -0.633 0.000 -4.349) 4.395 18.548 ( -0.633 0.000 4.349) 4.395 18.611 ( 1.948 0.000 -5.534) 5.867 18.611 ( 1.948 0.000 5.534) 5.867 21.802 ( 1.702 0.000 -3.022) 3.468 21.802 ( 1.702 0.000 3.022) 3.468 21.825 ( 2.627 -0.000 -2.172) 3.408 21.825 ( 2.627 0.000 2.172) 3.408 22.434 ( -2.059 -0.000 -3.173) 3.782 22.434 ( -2.059 0.000 3.173) 3.782 22.499 ( 0.683 -0.000 -1.947) 2.063 22.499 ( 0.683 -0.000 1.947) 2.063 ======================= Grid point 269 (88/90) ======================= q-point: ( 0.22 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.270 ( 6.511 -0.000 -12.508) 14.101 2.270 ( 6.511 0.000 12.508) 14.101 2.330 ( 3.893 0.000 -10.104) 10.828 2.330 ( 3.893 0.000 10.104) 10.828 2.872 ( 1.355 0.000 -16.130) 16.186 2.872 ( 1.355 0.000 16.130) 16.186 2.920 ( 0.849 0.000 -18.280) 18.300 2.920 ( 0.849 0.000 18.280) 18.300 3.156 ( 3.612 -0.000 -1.330) 3.849 3.156 ( 3.612 0.000 1.330) 3.849 3.167 ( 3.535 -0.000 -4.544) 5.757 3.167 ( 3.535 0.000 4.544) 5.757 3.875 ( -0.318 0.000 -1.257) 1.297 3.875 ( -0.318 0.000 1.257) 1.297 3.991 ( 1.100 0.000 -4.209) 4.350 3.991 ( 1.100 0.000 4.209) 4.350 4.475 ( 0.257 -0.000 -7.820) 7.824 4.475 ( 0.257 0.000 7.820) 7.824 4.476 ( 0.735 0.000 -9.473) 9.502 4.476 ( 0.735 -0.000 9.473) 9.502 5.208 ( -3.204 0.000 -2.962) 4.363 5.208 ( -3.204 0.000 2.962) 4.363 5.374 ( 3.329 0.000 -4.155) 5.324 5.374 ( 3.329 -0.000 4.155) 5.324 5.954 ( -7.275 0.000 -10.510) 12.783 5.954 ( -7.275 0.000 10.510) 12.783 6.042 ( -3.329 0.000 -17.944) 18.250 6.042 ( -3.329 0.000 17.944) 18.250 6.445 ( -11.419 0.000 -4.515) 12.279 6.445 ( -11.419 0.000 4.515) 12.279 6.575 ( -3.282 0.000 -18.291) 18.583 6.575 ( -3.282 0.000 18.291) 18.583 7.171 ( -3.988 0.000 -9.494) 10.297 7.171 ( -3.988 0.000 9.494) 10.297 7.259 ( 7.145 -0.000 -7.145) 10.105 7.259 ( 7.145 -0.000 7.145) 10.105 7.539 ( 8.123 0.000 -5.958) 10.074 7.539 ( 8.123 -0.000 5.958) 10.074 7.821 ( -0.846 0.000 -5.624) 5.687 7.821 ( -0.846 0.000 5.624) 5.687 8.467 ( 2.927 0.000 -10.224) 10.635 8.467 ( 2.927 -0.000 10.224) 10.635 8.547 ( 3.220 0.000 -11.837) 12.268 8.547 ( 3.220 -0.000 11.837) 12.268 9.011 ( -2.727 0.000 -11.247) 11.573 9.011 ( -2.727 0.000 11.247) 11.573 9.136 ( -2.763 -0.000 -6.765) 7.308 9.136 ( -2.763 -0.000 6.765) 7.308 10.349 ( 0.513 0.000 -4.721) 4.749 10.349 ( 0.513 0.000 4.721) 4.749 10.370 ( 0.946 0.000 -3.272) 3.406 10.370 ( 0.946 0.000 3.272) 3.406 10.781 ( -0.609 0.000 -1.728) 1.832 10.781 ( -0.609 0.000 1.728) 1.832 10.881 ( 0.107 0.000 -1.568) 1.571 10.881 ( 0.107 0.000 1.568) 1.571 12.405 ( -1.244 0.000 -4.312) 4.488 12.405 ( -1.244 -0.000 4.312) 4.488 12.495 ( -0.733 0.000 -5.717) 5.764 12.495 ( -0.733 0.000 5.717) 5.764 14.762 ( -1.735 0.000 -2.997) 3.463 14.762 ( -1.735 0.000 2.997) 3.463 14.893 ( -0.166 0.000 -3.888) 3.891 14.893 ( -0.166 0.000 3.888) 3.891 15.687 ( -0.486 0.000 -6.684) 6.702 15.687 ( -0.486 0.000 6.684) 6.702 15.889 ( 3.392 -0.000 -4.144) 5.356 15.889 ( 3.392 0.000 4.144) 5.356 17.235 ( -8.980 0.000 -9.079) 12.770 17.235 ( -8.980 0.000 9.079) 12.770 17.648 ( -5.280 0.000 -6.667) 8.504 17.648 ( -5.280 0.000 6.667) 8.504 18.551 ( 0.967 0.000 -3.230) 3.372 18.551 ( 0.967 0.000 3.230) 3.372 18.642 ( 1.217 0.000 -5.402) 5.537 18.642 ( 1.217 0.000 5.402) 5.537 21.853 ( 3.453 0.000 -2.681) 4.372 21.853 ( 3.453 -0.000 2.681) 4.372 21.885 ( 3.392 0.000 -1.314) 3.638 21.885 ( 3.392 0.000 1.314) 3.638 22.399 ( -1.472 0.000 -4.545) 4.777 22.399 ( -1.472 0.000 4.545) 4.777 22.497 ( -0.901 -0.000 -3.183) 3.308 22.497 ( -0.901 0.000 3.183) 3.308 ======================= Grid point 273 (89/90) ======================= q-point: ( 0.33 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.391 ( 5.130 0.000 -9.993) 11.233 2.391 ( 5.130 -0.000 9.993) 11.233 2.392 ( 2.628 -0.000 -8.998) 9.374 2.392 ( 2.628 0.000 8.998) 9.374 2.894 ( 1.048 -0.000 -16.808) 16.840 2.894 ( 1.048 0.000 16.808) 16.840 2.917 ( -0.523 0.000 -16.474) 16.483 2.917 ( -0.523 0.000 16.474) 16.483 3.236 ( 3.828 -0.000 -2.693) 4.680 3.236 ( 3.828 0.000 2.693) 4.680 3.239 ( 3.375 -0.000 -6.818) 7.608 3.239 ( 3.375 0.000 6.818) 7.608 3.902 ( 3.122 0.000 -3.283) 4.530 3.902 ( 3.122 -0.000 3.283) 4.530 4.013 ( 0.972 0.000 -5.591) 5.675 4.013 ( 0.972 0.000 5.591) 5.675 4.487 ( 1.087 -0.000 -6.220) 6.314 4.487 ( 1.087 0.000 6.220) 6.314 4.497 ( 1.424 0.000 -7.263) 7.401 4.497 ( 1.424 -0.000 7.263) 7.401 5.172 ( 0.324 0.000 -2.419) 2.441 5.172 ( 0.324 0.000 2.419) 2.441 5.450 ( 4.244 -0.000 -1.162) 4.401 5.450 ( 4.244 0.000 1.162) 4.401 5.808 ( -7.662 0.000 -10.774) 13.221 5.808 ( -7.662 0.000 10.774) 13.221 5.890 ( -14.690 -0.000 -16.474) 22.073 5.890 ( -14.690 -0.000 16.474) 22.073 6.254 ( -4.082 0.000 -3.607) 5.447 6.254 ( -4.082 0.000 3.607) 5.447 6.488 ( -5.438 0.000 -17.611) 18.431 6.488 ( -5.438 0.000 17.611) 18.431 7.175 ( 3.227 0.000 -11.837) 12.269 7.175 ( 3.227 0.000 11.837) 12.269 7.377 ( 3.410 0.000 -8.830) 9.466 7.377 ( 3.410 0.000 8.830) 9.466 7.677 ( 5.983 0.000 -5.095) 7.858 7.677 ( 5.983 -0.000 5.095) 7.858 7.788 ( -1.457 0.000 -1.791) 2.309 7.788 ( -1.457 0.000 1.791) 2.309 8.539 ( 4.339 0.000 -8.751) 9.768 8.539 ( 4.339 -0.000 8.751) 9.768 8.605 ( 2.664 0.000 -9.219) 9.597 8.605 ( 2.664 -0.000 9.219) 9.597 8.964 ( -2.123 0.000 -11.209) 11.408 8.964 ( -2.123 0.000 11.209) 11.408 9.062 ( -4.649 0.000 -9.055) 10.179 9.062 ( -4.649 -0.000 9.055) 10.179 10.356 ( 0.318 0.000 -5.792) 5.800 10.356 ( 0.318 0.000 5.792) 5.800 10.381 ( 0.074 0.000 -4.295) 4.296 10.381 ( 0.074 -0.000 4.295) 4.296 10.787 ( 1.138 0.000 -2.069) 2.361 10.787 ( 1.138 0.000 2.069) 2.361 10.875 ( -0.691 0.000 -0.600) 0.915 10.875 ( -0.691 0.000 0.600) 0.915 12.392 ( -0.039 0.000 -6.452) 6.452 12.392 ( -0.039 -0.000 6.452) 6.452 12.470 ( -1.711 0.000 -7.456) 7.650 12.470 ( -1.711 0.000 7.456) 7.650 14.741 ( -0.229 0.000 -3.258) 3.266 14.741 ( -0.229 0.000 3.258) 3.266 14.868 ( -2.446 0.000 -4.392) 5.027 14.868 ( -2.446 0.000 4.392) 5.027 15.706 ( 2.619 0.000 -5.291) 5.904 15.706 ( 2.619 0.000 5.291) 5.904 15.927 ( -0.017 0.000 -4.382) 4.382 15.927 ( -0.017 0.000 4.382) 4.382 17.120 ( -2.155 0.000 -9.819) 10.053 17.120 ( -2.155 0.000 9.819) 10.053 17.504 ( -9.193 0.000 -4.721) 10.334 17.504 ( -9.193 0.000 4.721) 10.334 18.580 ( 1.845 0.000 -2.848) 3.394 18.580 ( 1.845 0.000 2.848) 3.394 18.655 ( 0.065 0.000 -4.898) 4.898 18.655 ( 0.065 0.000 4.898) 4.898 21.924 ( 3.558 0.000 -2.143) 4.153 21.924 ( 3.558 0.000 2.143) 4.153 21.947 ( 2.810 0.000 -0.392) 2.838 21.947 ( 2.810 0.000 0.392) 2.838 22.381 ( -0.365 0.000 -5.381) 5.393 22.381 ( -0.365 0.000 5.381) 5.393 22.466 ( -2.127 -0.000 -4.235) 4.739 22.466 ( -2.127 0.000 4.235) 4.739 ======================= Grid point 277 (90/90) ======================= q-point: ( 0.44 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.434 ( 1.668 0.000 -8.318) 8.483 2.434 ( 1.668 0.000 8.318) 8.483 2.447 ( 0.738 -0.000 -8.264) 8.297 2.447 ( 0.738 0.000 8.264) 8.297 2.911 ( 0.494 -0.000 -16.103) 16.111 2.911 ( 0.494 0.000 16.103) 16.111 2.913 ( 0.069 -0.000 -15.801) 15.802 2.913 ( 0.069 0.000 15.801) 15.802 3.284 ( 1.203 0.000 -6.210) 6.325 3.284 ( 1.203 -0.000 6.210) 6.325 3.285 ( 1.192 0.000 -4.589) 4.741 3.285 ( 1.192 -0.000 4.589) 4.741 3.974 ( 3.584 0.000 -6.177) 7.141 3.974 ( 3.584 -0.000 6.177) 7.141 4.018 ( -0.798 0.000 -7.069) 7.114 4.018 ( -0.798 0.000 7.069) 7.114 4.512 ( 1.207 -0.000 -3.276) 3.491 4.512 ( 1.207 0.000 3.276) 3.491 4.520 ( 0.566 0.000 -2.809) 2.866 4.520 ( 0.566 -0.000 2.809) 2.866 5.256 ( 9.154 0.000 -2.614) 9.520 5.256 ( 9.154 0.000 2.614) 9.520 5.491 ( -7.804 0.000 -4.164) 8.846 5.491 ( -7.804 0.000 4.164) 8.846 5.595 ( -5.048 -0.000 -7.375) 8.937 5.595 ( -5.048 0.000 7.375) 8.937 5.670 ( -6.449 0.000 -8.565) 10.721 5.670 ( -6.449 0.000 8.565) 10.721 6.274 ( 4.241 0.000 -13.920) 14.552 6.274 ( 4.241 0.000 13.920) 14.552 6.377 ( -5.878 0.000 -17.595) 18.551 6.377 ( -5.878 0.000 17.595) 18.551 7.264 ( 5.462 0.000 -11.806) 13.008 7.264 ( 5.462 0.000 11.806) 13.008 7.363 ( -4.057 -0.000 -10.838) 11.573 7.363 ( -4.057 0.000 10.838) 11.573 7.761 ( 2.675 0.000 -3.899) 4.728 7.761 ( 2.675 -0.000 3.899) 4.728 7.782 ( 0.151 0.000 -2.312) 2.317 7.782 ( 0.151 0.000 2.312) 2.317 8.617 ( 3.153 0.000 -5.730) 6.540 8.617 ( 3.153 0.000 5.730) 6.540 8.641 ( 0.688 0.000 -4.365) 4.419 8.641 ( 0.688 0.000 4.365) 4.419 8.939 ( -0.079 0.000 -11.153) 11.153 8.939 ( -0.079 0.000 11.153) 11.153 8.976 ( -3.759 0.000 -11.073) 11.693 8.976 ( -3.759 0.000 11.073) 11.693 10.364 ( 0.493 0.000 -5.862) 5.882 10.364 ( 0.493 0.000 5.862) 5.882 10.375 ( -0.579 0.000 -5.221) 5.253 10.375 ( -0.579 -0.000 5.221) 5.253 10.819 ( 1.936 0.000 -1.794) 2.640 10.819 ( 1.936 0.000 1.794) 2.640 10.854 ( -1.544 -0.000 -0.818) 1.747 10.854 ( -1.544 0.000 0.818) 1.747 12.404 ( 1.198 0.000 -8.061) 8.149 12.404 ( 1.198 -0.000 8.061) 8.149 12.434 ( -1.881 0.000 -8.430) 8.637 12.434 ( -1.881 0.000 8.430) 8.637 14.757 ( 1.916 0.000 -3.789) 4.246 14.757 ( 1.916 0.000 3.789) 4.246 14.809 ( -3.251 0.000 -4.339) 5.422 14.809 ( -3.251 0.000 4.339) 5.422 15.783 ( 5.110 0.000 -3.220) 6.040 15.783 ( 5.110 0.000 3.220) 6.040 15.881 ( -4.374 0.000 -2.541) 5.059 15.881 ( -4.374 0.000 2.541) 5.059 17.160 ( 5.848 0.000 -7.279) 9.337 17.160 ( 5.848 0.000 7.279) 9.337 17.317 ( -9.685 0.000 -4.576) 10.711 17.317 ( -9.685 0.000 4.576) 10.711 18.616 ( 1.811 0.000 -3.334) 3.794 18.616 ( 1.811 0.000 3.334) 3.794 18.645 ( -1.076 0.000 -4.138) 4.276 18.645 ( -1.076 0.000 4.138) 4.276 21.977 ( 1.738 0.000 -1.586) 2.353 21.977 ( 1.738 -0.000 1.586) 2.353 21.985 ( 0.919 0.000 -0.741) 1.181 21.985 ( 0.919 -0.000 0.741) 1.181 22.388 ( 1.119 0.000 -5.598) 5.709 22.388 ( 1.119 -0.000 5.598) 5.709 22.422 ( -2.261 0.000 -5.104) 5.582 22.422 ( -2.261 0.000 5.104) 5.582 =================== 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 3/30240 10.0 132.281 135.047 108.621 0.000 0.000 0.000 3/30240 20.0 21.236 22.324 28.528 0.000 0.000 0.000 3/30240 30.0 8.135 7.912 14.574 0.000 0.000 0.000 3/30240 40.0 4.673 4.220 9.744 0.000 0.000 0.000 3/30240 50.0 3.257 2.787 7.362 0.000 0.000 0.000 3/30240 60.0 2.540 2.076 5.983 0.000 0.000 0.000 3/30240 70.0 2.122 1.664 5.099 0.000 0.000 0.000 3/30240 80.0 1.850 1.398 4.489 0.000 0.000 0.000 3/30240 90.0 1.658 1.213 4.041 0.000 0.000 0.000 3/30240 100.0 1.512 1.077 3.696 0.000 0.000 0.000 3/30240 110.0 1.397 0.972 3.421 0.000 0.000 0.000 3/30240 120.0 1.303 0.888 3.195 0.000 0.000 0.000 3/30240 130.0 1.223 0.820 3.004 0.000 0.000 0.000 3/30240 140.0 1.155 0.763 2.839 0.000 0.000 0.000 3/30240 150.0 1.096 0.715 2.695 0.000 0.000 0.000 3/30240 160.0 1.043 0.673 2.566 0.000 0.000 0.000 3/30240 170.0 0.996 0.636 2.451 0.000 0.000 0.000 3/30240 180.0 0.954 0.604 2.347 0.000 0.000 0.000 3/30240 190.0 0.916 0.575 2.252 0.000 0.000 0.000 3/30240 200.0 0.882 0.549 2.165 0.000 0.000 0.000 3/30240 210.0 0.850 0.525 2.084 0.000 0.000 0.000 3/30240 220.0 0.820 0.504 2.010 0.000 0.000 0.000 3/30240 230.0 0.793 0.484 1.941 0.000 0.000 0.000 3/30240 240.0 0.768 0.466 1.876 0.000 0.000 0.000 3/30240 250.0 0.744 0.449 1.815 0.000 0.000 0.000 3/30240 260.0 0.722 0.433 1.759 0.000 0.000 0.000 3/30240 270.0 0.701 0.419 1.705 0.000 0.000 0.000 3/30240 280.0 0.682 0.405 1.655 0.000 0.000 0.000 3/30240 290.0 0.663 0.393 1.608 0.000 0.000 0.000 3/30240 300.0 0.645 0.381 1.563 0.000 0.000 0.000 3/30240 310.0 0.629 0.370 1.520 0.000 0.000 0.000 3/30240 320.0 0.613 0.359 1.480 0.000 0.000 0.000 3/30240 330.0 0.598 0.349 1.442 0.000 0.000 0.000 3/30240 340.0 0.584 0.340 1.405 0.000 0.000 0.000 3/30240 350.0 0.570 0.331 1.371 0.000 0.000 0.000 3/30240 360.0 0.557 0.323 1.338 0.000 0.000 0.000 3/30240 370.0 0.544 0.315 1.306 0.000 0.000 0.000 3/30240 380.0 0.532 0.307 1.276 0.000 0.000 0.000 3/30240 390.0 0.521 0.300 1.247 0.000 0.000 0.000 3/30240 400.0 0.510 0.293 1.219 0.000 0.000 0.000 3/30240 410.0 0.499 0.286 1.193 0.000 0.000 0.000 3/30240 420.0 0.489 0.280 1.168 0.000 0.000 0.000 3/30240 430.0 0.479 0.274 1.143 0.000 0.000 0.000 3/30240 440.0 0.470 0.268 1.120 0.000 0.000 0.000 3/30240 450.0 0.461 0.263 1.098 0.000 0.000 0.000 3/30240 460.0 0.452 0.257 1.076 0.000 0.000 0.000 3/30240 470.0 0.444 0.252 1.055 0.000 0.000 0.000 3/30240 480.0 0.436 0.247 1.035 0.000 0.000 0.000 3/30240 490.0 0.428 0.242 1.016 0.000 0.000 0.000 3/30240 500.0 0.420 0.238 0.997 0.000 0.000 0.000 3/30240 510.0 0.413 0.234 0.979 0.000 0.000 0.000 3/30240 520.0 0.406 0.229 0.962 0.000 0.000 0.000 3/30240 530.0 0.399 0.225 0.945 0.000 0.000 0.000 3/30240 540.0 0.393 0.221 0.929 0.000 0.000 0.000 3/30240 550.0 0.386 0.217 0.913 0.000 0.000 0.000 3/30240 560.0 0.380 0.214 0.898 0.000 0.000 0.000 3/30240 570.0 0.374 0.210 0.883 0.000 0.000 0.000 3/30240 580.0 0.368 0.207 0.869 0.000 0.000 0.000 3/30240 590.0 0.362 0.203 0.855 0.000 0.000 0.000 3/30240 600.0 0.357 0.200 0.842 0.000 0.000 0.000 3/30240 610.0 0.352 0.197 0.829 0.000 0.000 0.000 3/30240 620.0 0.346 0.194 0.817 0.000 0.000 0.000 3/30240 630.0 0.341 0.191 0.804 0.000 0.000 0.000 3/30240 640.0 0.336 0.188 0.792 0.000 0.000 0.000 3/30240 650.0 0.332 0.185 0.781 0.000 0.000 0.000 3/30240 660.0 0.327 0.183 0.770 0.000 0.000 0.000 3/30240 670.0 0.322 0.180 0.759 0.000 0.000 0.000 3/30240 680.0 0.318 0.178 0.748 0.000 0.000 0.000 3/30240 690.0 0.314 0.175 0.738 0.000 0.000 0.000 3/30240 700.0 0.310 0.173 0.728 0.000 0.000 0.000 3/30240 710.0 0.306 0.170 0.718 0.000 0.000 0.000 3/30240 720.0 0.302 0.168 0.709 0.000 0.000 0.000 3/30240 730.0 0.298 0.166 0.699 0.000 0.000 0.000 3/30240 740.0 0.294 0.164 0.690 0.000 0.000 0.000 3/30240 750.0 0.290 0.162 0.682 0.000 0.000 0.000 3/30240 760.0 0.287 0.159 0.673 0.000 0.000 0.000 3/30240 770.0 0.283 0.157 0.665 0.000 0.000 0.000 3/30240 780.0 0.280 0.156 0.656 0.000 0.000 0.000 3/30240 790.0 0.276 0.154 0.648 0.000 0.000 0.000 3/30240 800.0 0.273 0.152 0.641 0.000 0.000 0.000 3/30240 810.0 0.270 0.150 0.633 0.000 0.000 0.000 3/30240 820.0 0.267 0.148 0.626 0.000 0.000 0.000 3/30240 830.0 0.264 0.146 0.618 0.000 0.000 0.000 3/30240 840.0 0.261 0.145 0.611 0.000 0.000 0.000 3/30240 850.0 0.258 0.143 0.604 0.000 0.000 0.000 3/30240 860.0 0.255 0.141 0.598 0.000 0.000 0.000 3/30240 870.0 0.252 0.140 0.591 0.000 0.000 0.000 3/30240 880.0 0.250 0.138 0.584 0.000 0.000 0.000 3/30240 890.0 0.247 0.137 0.578 0.000 0.000 0.000 3/30240 900.0 0.244 0.135 0.572 0.000 0.000 0.000 3/30240 910.0 0.242 0.134 0.566 0.000 0.000 0.000 3/30240 920.0 0.239 0.132 0.560 0.000 0.000 0.000 3/30240 930.0 0.237 0.131 0.554 0.000 0.000 0.000 3/30240 940.0 0.234 0.130 0.548 0.000 0.000 0.000 3/30240 950.0 0.232 0.128 0.543 0.000 0.000 0.000 3/30240 960.0 0.230 0.127 0.537 0.000 0.000 0.000 3/30240 970.0 0.227 0.126 0.532 0.000 0.000 0.000 3/30240 980.0 0.225 0.124 0.526 0.000 0.000 0.000 3/30240 990.0 0.223 0.123 0.521 0.000 0.000 0.000 3/30240 1000.0 0.221 0.122 0.516 0.000 0.000 0.000 3/30240 Thermal conductivity related properties were written into "kappa-m9410.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:31:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|