----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 11:42:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pna2_1 (33) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.890312320000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.024639070000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.176391290000000 Atomic positions (fractional): *1 K 0.45547165302471 0.03855892459299 0.75583705085223 39.098 2 K 0.04452834697529 0.53855892459299 0.25583705085223 39.098 3 K 0.95547165302471 0.46144107540701 0.75583705085223 39.098 4 K 0.54452834697529 0.96144107540701 0.25583705085223 39.098 *5 Na 0.64870241589347 0.44529841946065 0.50195927091289 22.990 6 Na 0.35129758410653 0.55470158053935 0.00195927091289 22.990 7 Na 0.85129758410653 0.94529841946065 0.00195927091289 22.990 8 Na 0.14870241589347 0.05470158053935 0.50195927091289 22.990 *9 Sn 0.63521421528369 0.44957422877026 0.99962741629338 118.710 10 Sn 0.13521421528369 0.05042577122974 0.99962741629338 118.710 11 Sn 0.36478578471631 0.55042577122974 0.49962741629338 118.710 12 Sn 0.86478578471631 0.94957422877026 0.49962741629338 118.710 *13 F 0.37495430690275 0.64944262796643 0.26908139838948 18.998 *14 F 0.70871870534689 0.16707102980472 0.06293867922560 18.998 *15 F 0.04044607058368 0.78133916349814 0.95891946536746 18.998 *16 F 0.35906301280875 0.45287391952244 0.73156397784197 18.998 17 F 0.62504569309725 0.35055737203358 0.76908139838948 18.998 18 F 0.64093698719125 0.54712608047756 0.23156397784197 18.998 *19 F 0.72055953946158 0.10141873748515 0.45264247945314 18.998 20 F 0.45955392941632 0.28133916349814 0.45891946536746 18.998 *21 F 0.51031076343734 0.71212028850715 0.53753026166386 18.998 22 F 0.79128129465311 0.66707102980472 0.56293867922560 18.998 23 F 0.22055953946158 0.39858126251485 0.45264247945314 18.998 24 F 0.27944046053842 0.89858126251485 0.95264247945314 18.998 25 F 0.95955392941632 0.21866083650186 0.45891946536746 18.998 26 F 0.54044607058368 0.71866083650186 0.95891946536746 18.998 27 F 0.98968923656266 0.21212028850715 0.03753026166386 18.998 28 F 0.14093698719125 0.95287391952244 0.23156397784197 18.998 29 F 0.01031076343734 0.78787971149285 0.53753026166386 18.998 30 F 0.29128129465311 0.83292897019528 0.56293867922560 18.998 31 F 0.85906301280875 0.04712608047756 0.73156397784197 18.998 32 F 0.20871870534689 0.33292897019528 0.06293867922560 18.998 33 F 0.48968923656266 0.28787971149285 0.03753026166386 18.998 34 F 0.87495430690275 0.85055737203357 0.26908139838948 18.998 35 F 0.77944046053842 0.60141873748515 0.95264247945314 18.998 36 F 0.12504569309725 0.14944262796642 0.76908139838948 18.998 -------------------------------- unit cell --------------------------------- Lattice vectors: a 11.890312320000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.024639070000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.176391290000000 Atomic positions (fractional): *1 K 0.45547165302471 0.03855892459299 0.75583705085223 39.098 > 1 2 K 0.04452834697529 0.53855892459299 0.25583705085223 39.098 > 2 3 K 0.95547165302471 0.46144107540701 0.75583705085223 39.098 > 3 4 K 0.54452834697529 0.96144107540701 0.25583705085223 39.098 > 4 *5 Na 0.64870241589347 0.44529841946065 0.50195927091289 22.990 > 5 6 Na 0.35129758410653 0.55470158053935 0.00195927091289 22.990 > 6 7 Na 0.85129758410653 0.94529841946065 0.00195927091289 22.990 > 7 8 Na 0.14870241589347 0.05470158053935 0.50195927091289 22.990 > 8 *9 Sn 0.63521421528369 0.44957422877026 0.99962741629338 118.710 > 9 10 Sn 0.13521421528369 0.05042577122974 0.99962741629338 118.710 > 10 11 Sn 0.36478578471631 0.55042577122974 0.49962741629338 118.710 > 11 12 Sn 0.86478578471631 0.94957422877026 0.49962741629338 118.710 > 12 *13 F 0.37495430690275 0.64944262796643 0.26908139838948 18.998 > 13 *14 F 0.70871870534689 0.16707102980472 0.06293867922560 18.998 > 14 *15 F 0.04044607058368 0.78133916349814 0.95891946536746 18.998 > 15 *16 F 0.35906301280875 0.45287391952244 0.73156397784197 18.998 > 16 17 F 0.62504569309725 0.35055737203358 0.76908139838948 18.998 > 17 18 F 0.64093698719125 0.54712608047756 0.23156397784197 18.998 > 18 *19 F 0.72055953946158 0.10141873748515 0.45264247945314 18.998 > 19 20 F 0.45955392941632 0.28133916349814 0.45891946536746 18.998 > 20 *21 F 0.51031076343734 0.71212028850715 0.53753026166386 18.998 > 21 22 F 0.79128129465311 0.66707102980472 0.56293867922560 18.998 > 22 23 F 0.22055953946158 0.39858126251485 0.45264247945314 18.998 > 23 24 F 0.27944046053842 0.89858126251485 0.95264247945314 18.998 > 24 25 F 0.95955392941632 0.21866083650186 0.45891946536746 18.998 > 25 26 F 0.54044607058368 0.71866083650186 0.95891946536746 18.998 > 26 27 F 0.98968923656266 0.21212028850715 0.03753026166386 18.998 > 27 28 F 0.14093698719125 0.95287391952244 0.23156397784197 18.998 > 28 29 F 0.01031076343734 0.78787971149285 0.53753026166386 18.998 > 29 30 F 0.29128129465311 0.83292897019528 0.56293867922560 18.998 > 30 31 F 0.85906301280875 0.04712608047756 0.73156397784197 18.998 > 31 32 F 0.20871870534689 0.33292897019528 0.06293867922560 18.998 > 32 33 F 0.48968923656266 0.28787971149285 0.03753026166386 18.998 > 33 34 F 0.87495430690275 0.85055737203357 0.26908139838948 18.998 > 34 35 F 0.77944046053842 0.60141873748515 0.95264247945314 18.998 > 35 36 F 0.12504569309725 0.14944262796642 0.76908139838948 18.998 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.890312320000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.049278140000000 0.000000000000000 c 0.000000000000000 0.000000000000000 16.352782580000000 Atomic positions (fractional): *1 K 0.45547165302471 0.01927946229649 0.37791852542612 39.098 > 1 2 K 0.45547165302471 0.51927946229649 0.37791852542612 39.098 > 1 3 K 0.45547165302471 0.01927946229649 0.87791852542612 39.098 > 1 4 K 0.45547165302471 0.51927946229649 0.87791852542612 39.098 > 1 5 K 0.04452834697529 0.26927946229649 0.12791852542612 39.098 > 2 6 K 0.04452834697529 0.76927946229649 0.12791852542612 39.098 > 2 7 K 0.04452834697529 0.26927946229649 0.62791852542612 39.098 > 2 8 K 0.04452834697529 0.76927946229649 0.62791852542612 39.098 > 2 9 K 0.95547165302471 0.23072053770351 0.37791852542612 39.098 > 3 10 K 0.95547165302471 0.73072053770351 0.37791852542612 39.098 > 3 11 K 0.95547165302471 0.23072053770351 0.87791852542612 39.098 > 3 12 K 0.95547165302471 0.73072053770351 0.87791852542612 39.098 > 3 13 K 0.54452834697529 0.48072053770351 0.12791852542612 39.098 > 4 14 K 0.54452834697529 0.98072053770351 0.12791852542612 39.098 > 4 15 K 0.54452834697529 0.48072053770351 0.62791852542612 39.098 > 4 16 K 0.54452834697529 0.98072053770351 0.62791852542612 39.098 > 4 *17 Na 0.64870241589347 0.22264920973033 0.25097963545644 22.990 > 5 18 Na 0.64870241589347 0.72264920973033 0.25097963545644 22.990 > 5 19 Na 0.64870241589347 0.22264920973033 0.75097963545644 22.990 > 5 20 Na 0.64870241589347 0.72264920973033 0.75097963545644 22.990 > 5 21 Na 0.35129758410653 0.27735079026967 0.00097963545644 22.990 > 6 22 Na 0.35129758410653 0.77735079026967 0.00097963545644 22.990 > 6 23 Na 0.35129758410653 0.27735079026967 0.50097963545644 22.990 > 6 24 Na 0.35129758410653 0.77735079026967 0.50097963545644 22.990 > 6 25 Na 0.85129758410653 0.47264920973033 0.00097963545644 22.990 > 7 26 Na 0.85129758410653 0.97264920973033 0.00097963545644 22.990 > 7 27 Na 0.85129758410653 0.47264920973033 0.50097963545644 22.990 > 7 28 Na 0.85129758410653 0.97264920973033 0.50097963545644 22.990 > 7 29 Na 0.14870241589347 0.02735079026967 0.25097963545644 22.990 > 8 30 Na 0.14870241589347 0.52735079026967 0.25097963545644 22.990 > 8 31 Na 0.14870241589347 0.02735079026967 0.75097963545644 22.990 > 8 32 Na 0.14870241589347 0.52735079026967 0.75097963545644 22.990 > 8 *33 Sn 0.63521421528369 0.22478711438513 0.49981370814669 118.710 > 9 34 Sn 0.63521421528369 0.72478711438513 0.49981370814669 118.710 > 9 35 Sn 0.63521421528369 0.22478711438513 0.99981370814669 118.710 > 9 36 Sn 0.63521421528369 0.72478711438513 0.99981370814669 118.710 > 9 37 Sn 0.13521421528369 0.02521288561487 0.49981370814669 118.710 > 10 38 Sn 0.13521421528369 0.52521288561487 0.49981370814669 118.710 > 10 39 Sn 0.13521421528369 0.02521288561487 0.99981370814669 118.710 > 10 40 Sn 0.13521421528369 0.52521288561487 0.99981370814669 118.710 > 10 41 Sn 0.36478578471631 0.27521288561487 0.24981370814669 118.710 > 11 42 Sn 0.36478578471631 0.77521288561487 0.24981370814669 118.710 > 11 43 Sn 0.36478578471631 0.27521288561487 0.74981370814669 118.710 > 11 44 Sn 0.36478578471631 0.77521288561487 0.74981370814669 118.710 > 11 45 Sn 0.86478578471631 0.47478711438513 0.24981370814669 118.710 > 12 46 Sn 0.86478578471631 0.97478711438513 0.24981370814669 118.710 > 12 47 Sn 0.86478578471631 0.47478711438513 0.74981370814669 118.710 > 12 48 Sn 0.86478578471631 0.97478711438513 0.74981370814669 118.710 > 12 *49 F 0.37495430690275 0.32472131398321 0.13454069919474 18.998 > 13 50 F 0.37495430690275 0.82472131398321 0.13454069919474 18.998 > 13 51 F 0.37495430690275 0.32472131398321 0.63454069919474 18.998 > 13 52 F 0.37495430690275 0.82472131398321 0.63454069919474 18.998 > 13 *53 F 0.70871870534689 0.08353551490236 0.03146933961280 18.998 > 14 54 F 0.70871870534689 0.58353551490236 0.03146933961280 18.998 > 14 55 F 0.70871870534689 0.08353551490236 0.53146933961280 18.998 > 14 56 F 0.70871870534689 0.58353551490236 0.53146933961280 18.998 > 14 *57 F 0.04044607058368 0.39066958174907 0.47945973268373 18.998 > 15 58 F 0.04044607058368 0.89066958174907 0.47945973268373 18.998 > 15 59 F 0.04044607058368 0.39066958174907 0.97945973268373 18.998 > 15 60 F 0.04044607058368 0.89066958174907 0.97945973268373 18.998 > 15 *61 F 0.35906301280875 0.22643695976122 0.36578198892098 18.998 > 16 62 F 0.35906301280875 0.72643695976122 0.36578198892098 18.998 > 16 63 F 0.35906301280875 0.22643695976122 0.86578198892098 18.998 > 16 64 F 0.35906301280875 0.72643695976122 0.86578198892098 18.998 > 16 65 F 0.62504569309725 0.17527868601679 0.38454069919474 18.998 > 17 66 F 0.62504569309725 0.67527868601679 0.38454069919474 18.998 > 17 67 F 0.62504569309725 0.17527868601679 0.88454069919474 18.998 > 17 68 F 0.62504569309725 0.67527868601679 0.88454069919474 18.998 > 17 69 F 0.64093698719125 0.27356304023878 0.11578198892098 18.998 > 18 70 F 0.64093698719125 0.77356304023878 0.11578198892098 18.998 > 18 71 F 0.64093698719125 0.27356304023878 0.61578198892098 18.998 > 18 72 F 0.64093698719125 0.77356304023878 0.61578198892098 18.998 > 18 *73 F 0.72055953946158 0.05070936874258 0.22632123972657 18.998 > 19 74 F 0.72055953946158 0.55070936874258 0.22632123972657 18.998 > 19 75 F 0.72055953946158 0.05070936874258 0.72632123972657 18.998 > 19 76 F 0.72055953946158 0.55070936874258 0.72632123972657 18.998 > 19 77 F 0.45955392941632 0.14066958174907 0.22945973268373 18.998 > 20 78 F 0.45955392941632 0.64066958174907 0.22945973268373 18.998 > 20 79 F 0.45955392941632 0.14066958174907 0.72945973268373 18.998 > 20 80 F 0.45955392941632 0.64066958174907 0.72945973268373 18.998 > 20 *81 F 0.51031076343734 0.35606014425357 0.26876513083193 18.998 > 21 82 F 0.51031076343734 0.85606014425357 0.26876513083193 18.998 > 21 83 F 0.51031076343734 0.35606014425357 0.76876513083193 18.998 > 21 84 F 0.51031076343734 0.85606014425357 0.76876513083193 18.998 > 21 85 F 0.79128129465311 0.33353551490236 0.28146933961280 18.998 > 22 86 F 0.79128129465311 0.83353551490236 0.28146933961280 18.998 > 22 87 F 0.79128129465311 0.33353551490236 0.78146933961280 18.998 > 22 88 F 0.79128129465311 0.83353551490236 0.78146933961280 18.998 > 22 89 F 0.22055953946158 0.19929063125742 0.22632123972657 18.998 > 23 90 F 0.22055953946158 0.69929063125742 0.22632123972657 18.998 > 23 91 F 0.22055953946158 0.19929063125742 0.72632123972657 18.998 > 23 92 F 0.22055953946158 0.69929063125742 0.72632123972657 18.998 > 23 93 F 0.27944046053842 0.44929063125742 0.47632123972657 18.998 > 24 94 F 0.27944046053842 0.94929063125742 0.47632123972657 18.998 > 24 95 F 0.27944046053842 0.44929063125742 0.97632123972657 18.998 > 24 96 F 0.27944046053842 0.94929063125742 0.97632123972657 18.998 > 24 97 F 0.95955392941632 0.10933041825093 0.22945973268373 18.998 > 25 98 F 0.95955392941632 0.60933041825093 0.22945973268373 18.998 > 25 99 F 0.95955392941632 0.10933041825093 0.72945973268373 18.998 > 25 100 F 0.95955392941632 0.60933041825093 0.72945973268373 18.998 > 25 101 F 0.54044607058368 0.35933041825093 0.47945973268373 18.998 > 26 102 F 0.54044607058368 0.85933041825093 0.47945973268373 18.998 > 26 103 F 0.54044607058368 0.35933041825093 0.97945973268373 18.998 > 26 104 F 0.54044607058368 0.85933041825093 0.97945973268373 18.998 > 26 105 F 0.98968923656266 0.10606014425357 0.01876513083193 18.998 > 27 106 F 0.98968923656266 0.60606014425357 0.01876513083193 18.998 > 27 107 F 0.98968923656266 0.10606014425357 0.51876513083193 18.998 > 27 108 F 0.98968923656266 0.60606014425357 0.51876513083193 18.998 > 27 109 F 0.14093698719125 0.47643695976122 0.11578198892098 18.998 > 28 110 F 0.14093698719125 0.97643695976122 0.11578198892098 18.998 > 28 111 F 0.14093698719125 0.47643695976122 0.61578198892098 18.998 > 28 112 F 0.14093698719125 0.97643695976122 0.61578198892098 18.998 > 28 113 F 0.01031076343734 0.39393985574643 0.26876513083193 18.998 > 29 114 F 0.01031076343734 0.89393985574643 0.26876513083193 18.998 > 29 115 F 0.01031076343734 0.39393985574643 0.76876513083193 18.998 > 29 116 F 0.01031076343734 0.89393985574643 0.76876513083193 18.998 > 29 117 F 0.29128129465311 0.41646448509764 0.28146933961280 18.998 > 30 118 F 0.29128129465311 0.91646448509764 0.28146933961280 18.998 > 30 119 F 0.29128129465311 0.41646448509764 0.78146933961280 18.998 > 30 120 F 0.29128129465311 0.91646448509764 0.78146933961280 18.998 > 30 121 F 0.85906301280875 0.02356304023878 0.36578198892098 18.998 > 31 122 F 0.85906301280875 0.52356304023878 0.36578198892098 18.998 > 31 123 F 0.85906301280875 0.02356304023878 0.86578198892098 18.998 > 31 124 F 0.85906301280875 0.52356304023878 0.86578198892098 18.998 > 31 125 F 0.20871870534689 0.16646448509764 0.03146933961280 18.998 > 32 126 F 0.20871870534689 0.66646448509764 0.03146933961280 18.998 > 32 127 F 0.20871870534689 0.16646448509764 0.53146933961280 18.998 > 32 128 F 0.20871870534689 0.66646448509764 0.53146933961280 18.998 > 32 129 F 0.48968923656266 0.14393985574643 0.01876513083193 18.998 > 33 130 F 0.48968923656266 0.64393985574643 0.01876513083193 18.998 > 33 131 F 0.48968923656266 0.14393985574643 0.51876513083193 18.998 > 33 132 F 0.48968923656266 0.64393985574643 0.51876513083193 18.998 > 33 133 F 0.87495430690275 0.42527868601679 0.13454069919474 18.998 > 34 134 F 0.87495430690275 0.92527868601679 0.13454069919474 18.998 > 34 135 F 0.87495430690275 0.42527868601679 0.63454069919474 18.998 > 34 136 F 0.87495430690275 0.92527868601679 0.63454069919474 18.998 > 34 137 F 0.77944046053842 0.30070936874258 0.47632123972657 18.998 > 35 138 F 0.77944046053842 0.80070936874258 0.47632123972657 18.998 > 35 139 F 0.77944046053842 0.30070936874258 0.97632123972657 18.998 > 35 140 F 0.77944046053842 0.80070936874258 0.97632123972657 18.998 > 35 141 F 0.12504569309725 0.07472131398321 0.38454069919474 18.998 > 36 142 F 0.12504569309725 0.57472131398321 0.38454069919474 18.998 > 36 143 F 0.12504569309725 0.07472131398321 0.88454069919474 18.998 > 36 144 F 0.12504569309725 0.57472131398321 0.88454069919474 18.998 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 1.9467302 0.0000000 0.0000000 0.0000000 1.9686826 0.0000000 0.0000000 0.0000000 1.9566012 -------------------------- Born effective charges -------------------------- 1 K 1.0997157 0.0589768 0.0542588 0.0398301 1.3067049 0.0277866 0.0657307 0.0193736 1.1629167 2 K 1.0997157 -0.0589768 -0.0542588 -0.0398301 1.3067049 0.0277866 -0.0657307 0.0193736 1.1629167 3 K 1.0997157 -0.0589768 0.0542588 -0.0398301 1.3067049 -0.0277866 0.0657307 -0.0193736 1.1629167 4 K 1.0997157 0.0589768 -0.0542588 0.0398301 1.3067049 -0.0277866 -0.0657307 -0.0193736 1.1629167 5 Na 1.1404763 -0.0609658 0.0076048 0.0065607 1.0260421 0.0334491 -0.0093363 -0.0734340 1.1417057 6 Na 1.1404763 -0.0609658 -0.0076048 0.0065607 1.0260421 -0.0334491 0.0093363 0.0734340 1.1417057 7 Na 1.1404763 0.0609658 -0.0076048 -0.0065607 1.0260421 0.0334491 0.0093363 -0.0734340 1.1417057 8 Na 1.1404763 0.0609658 0.0076048 -0.0065607 1.0260421 -0.0334491 -0.0093363 0.0734340 1.1417057 9 Sn 3.3547947 -0.0231499 -0.0099168 0.0165888 3.3626166 0.0267426 -0.0132429 0.0540905 3.3494097 10 Sn 3.3547947 0.0231499 -0.0099168 -0.0165888 3.3626166 -0.0267426 -0.0132429 -0.0540905 3.3494097 11 Sn 3.3547947 -0.0231499 0.0099168 0.0165888 3.3626166 -0.0267426 0.0132429 -0.0540905 3.3494097 12 Sn 3.3547947 0.0231499 0.0099168 -0.0165888 3.3626166 0.0267426 0.0132429 0.0540905 3.3494097 13 F -0.7595348 -0.0584512 0.0305622 -0.0675824 -0.7479115 0.1253040 0.0462730 0.1461710 -1.2790147 14 F -0.8904192 0.2500294 -0.0189143 0.2250396 -1.1579910 0.1446071 -0.0075083 0.1629273 -0.7496554 15 F -0.9237236 -0.2682067 -0.0783672 -0.2858052 -1.1539032 -0.0696825 -0.0804667 -0.0696512 -0.7975085 16 F -0.6951950 0.0319703 0.0098668 0.0219685 -0.8291526 0.1689048 -0.0038584 0.1527126 -1.2815008 17 F -0.7595348 -0.0584512 -0.0305622 -0.0675824 -0.7479115 -0.1253040 -0.0462730 -0.1461710 -1.2790147 18 F -0.6951950 0.0319703 -0.0098668 0.0219685 -0.8291526 -0.1689048 0.0038584 -0.1527126 -1.2815008 19 F -1.2357544 0.2718040 -0.1543794 0.2590989 -0.8778167 0.0162037 -0.1584562 0.0201615 -0.7370342 20 F -0.9237236 0.2682067 0.0783672 0.2858052 -1.1539032 -0.0696825 0.0804667 -0.0696512 -0.7975085 21 F -1.0903597 -0.1745871 -0.0151086 -0.1984050 -0.9285887 -0.0475513 -0.0124608 -0.0412617 -0.8093184 22 F -0.8904192 -0.2500294 0.0189143 -0.2250396 -1.1579910 0.1446071 0.0075083 0.1629273 -0.7496554 23 F -1.2357544 -0.2718040 -0.1543794 -0.2590989 -0.8778167 -0.0162037 -0.1584562 -0.0201615 -0.7370342 24 F -1.2357544 0.2718040 0.1543794 0.2590989 -0.8778167 -0.0162037 0.1584562 -0.0201615 -0.7370342 25 F -0.9237236 -0.2682067 0.0783672 -0.2858052 -1.1539032 0.0696825 0.0804667 0.0696512 -0.7975085 26 F -0.9237236 0.2682067 -0.0783672 0.2858052 -1.1539032 0.0696825 -0.0804667 0.0696512 -0.7975085 27 F -1.0903597 0.1745871 0.0151086 0.1984050 -0.9285887 -0.0475513 0.0124608 -0.0412617 -0.8093184 28 F -0.6951950 -0.0319703 -0.0098668 -0.0219685 -0.8291526 0.1689048 0.0038584 0.1527126 -1.2815008 29 F -1.0903597 0.1745871 -0.0151086 0.1984050 -0.9285887 0.0475513 -0.0124608 0.0412617 -0.8093184 30 F -0.8904192 0.2500294 0.0189143 0.2250396 -1.1579910 -0.1446071 0.0075083 -0.1629273 -0.7496554 31 F -0.6951950 -0.0319703 0.0098668 -0.0219685 -0.8291526 -0.1689048 -0.0038584 -0.1527126 -1.2815008 32 F -0.8904192 -0.2500294 -0.0189143 -0.2250396 -1.1579910 -0.1446071 -0.0075083 -0.1629273 -0.7496554 33 F -1.0903597 -0.1745871 0.0151086 -0.1984050 -0.9285887 0.0475513 0.0124608 0.0412617 -0.8093184 34 F -0.7595348 0.0584512 0.0305622 0.0675824 -0.7479115 -0.1253040 0.0462730 -0.1461710 -1.2790147 35 F -1.2357544 -0.2718040 0.1543794 -0.2590989 -0.8778167 0.0162037 0.1584562 0.0201615 -0.7370342 36 F -0.7595348 0.0584512 -0.0305622 0.0675824 -0.7479115 0.1253040 -0.0462730 0.1461710 -1.2790147 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5940 Number of blocks in projector: 5940 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1296 / 1296 (1) 281 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1296 / 1296 (1) 280 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1296 / 1296 (1) 282 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 684 / 684 (1) 175 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 684 / 684 (1) 175 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 684 / 684 (1) 175 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5940, 5859), data: False |-- (684, 675), data: False |-- (684, 9), data: (684, 18) @ (18, 9) |-- (184, 175), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (684, 675), data: False |-- (684, 9), data: (684, 18) @ (18, 9) |-- (184, 175), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (684, 675), data: False |-- (684, 9), data: (684, 18) @ (18, 9) |-- (184, 175), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 282), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True |-- (500, 482), data: False |-- (500, 14), data: (500, 32) @ (32, 14) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1296, 1278), data: False |-- (1296, 33), data: (1296, 51) @ (51, 33) |-- (296, 280), data: True |-- (500, 482), data: False |-- (500, 14), data: (500, 32) @ (32, 14) |-- (250, 232), data: True |-- (250, 236), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 233), data: True |-- (250, 234), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 281), data: True |-- (500, 483), data: False |-- (500, 14), data: (500, 31) @ (31, 14) |-- (250, 233), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.008 Solver_block: 100 / 1120 - Time: 5.244 Solver_block: 200 / 1120 - Time: 3.208 Solver_block: 300 / 1120 - Time: 2.148 Solver_block: 400 / 1120 - Time: 2.549 Solver_block: 500 / 1120 - Time: 5.044 Solver_block: 600 / 1120 - Time: 3.440 Solver_block: 700 / 1120 - Time: 2.021 Solver_block: 800 / 1120 - Time: 2.630 Solver_block: 900 / 1120 - Time: 4.934 Solver_block: 1000 / 1120 - Time: 2.350 Solver_block: 1100 / 1120 - Time: 2.311 Solver_block: 1120 / 1120 - Time: 0.604 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 37.620 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5940 Number of blocks in projector: 5940 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1296 / 1296 (1) 281 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1296 / 1296 (1) 280 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1296 / 1296 (1) 282 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 684 / 684 (1) 175 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 684 / 684 (1) 175 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 684 / 684 (1) 175 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5940, 5859), data: False |-- (684, 675), data: False |-- (684, 9), data: (684, 18) @ (18, 9) |-- (184, 175), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (684, 675), data: False |-- (684, 9), data: (684, 18) @ (18, 9) |-- (184, 175), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (684, 675), data: False |-- (684, 9), data: (684, 18) @ (18, 9) |-- (184, 175), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 282), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True |-- (500, 482), data: False |-- (500, 14), data: (500, 32) @ (32, 14) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1296, 1278), data: False |-- (1296, 33), data: (1296, 51) @ (51, 33) |-- (296, 280), data: True |-- (500, 482), data: False |-- (500, 14), data: (500, 32) @ (32, 14) |-- (250, 232), data: True |-- (250, 236), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 233), data: True |-- (250, 234), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 281), data: True |-- (500, 483), data: False |-- (500, 14), data: (500, 31) @ (31, 14) |-- (250, 233), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) 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 11:44:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:44:39]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pna2_1 (33) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.890312320000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.024639070000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.176391290000000 Atomic positions (fractional): 1 K 0.45547165302471 0.03855892459299 0.75583705085223 39.098 2 K 0.04452834697529 0.53855892459299 0.25583705085223 39.098 3 K 0.95547165302471 0.46144107540701 0.75583705085223 39.098 4 K 0.54452834697529 0.96144107540701 0.25583705085223 39.098 5 Na 0.64870241589347 0.44529841946065 0.50195927091289 22.990 6 Na 0.35129758410653 0.55470158053935 0.00195927091289 22.990 7 Na 0.85129758410653 0.94529841946065 0.00195927091289 22.990 8 Na 0.14870241589347 0.05470158053935 0.50195927091289 22.990 9 Sn 0.63521421528369 0.44957422877026 0.99962741629338 118.710 10 Sn 0.13521421528369 0.05042577122974 0.99962741629338 118.710 11 Sn 0.36478578471631 0.55042577122974 0.49962741629338 118.710 12 Sn 0.86478578471631 0.94957422877026 0.49962741629338 118.710 13 F 0.37495430690275 0.64944262796643 0.26908139838948 18.998 14 F 0.70871870534689 0.16707102980472 0.06293867922560 18.998 15 F 0.04044607058368 0.78133916349814 0.95891946536746 18.998 16 F 0.35906301280875 0.45287391952244 0.73156397784197 18.998 17 F 0.62504569309725 0.35055737203358 0.76908139838948 18.998 18 F 0.64093698719125 0.54712608047756 0.23156397784197 18.998 19 F 0.72055953946158 0.10141873748515 0.45264247945314 18.998 20 F 0.45955392941632 0.28133916349814 0.45891946536746 18.998 21 F 0.51031076343734 0.71212028850715 0.53753026166386 18.998 22 F 0.79128129465311 0.66707102980472 0.56293867922560 18.998 23 F 0.22055953946158 0.39858126251485 0.45264247945314 18.998 24 F 0.27944046053842 0.89858126251485 0.95264247945314 18.998 25 F 0.95955392941632 0.21866083650186 0.45891946536746 18.998 26 F 0.54044607058368 0.71866083650186 0.95891946536746 18.998 27 F 0.98968923656266 0.21212028850715 0.03753026166386 18.998 28 F 0.14093698719125 0.95287391952244 0.23156397784197 18.998 29 F 0.01031076343734 0.78787971149285 0.53753026166386 18.998 30 F 0.29128129465311 0.83292897019528 0.56293867922560 18.998 31 F 0.85906301280875 0.04712608047756 0.73156397784197 18.998 32 F 0.20871870534689 0.33292897019528 0.06293867922560 18.998 33 F 0.48968923656266 0.28787971149285 0.03753026166386 18.998 34 F 0.87495430690275 0.85055737203357 0.26908139838948 18.998 35 F 0.77944046053842 0.60141873748515 0.95264247945314 18.998 36 F 0.12504569309725 0.14944262796642 0.76908139838948 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.890312320000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.049278140000000 0.000000000000000 c 0.000000000000000 0.000000000000000 16.352782580000000 Atomic positions (fractional): 1 K 0.45547165302471 0.01927946229649 0.37791852542612 39.098 > 1 2 K 0.45547165302471 0.51927946229649 0.37791852542612 39.098 > 1 3 K 0.45547165302471 0.01927946229649 0.87791852542612 39.098 > 1 4 K 0.45547165302471 0.51927946229649 0.87791852542612 39.098 > 1 5 K 0.04452834697529 0.26927946229649 0.12791852542612 39.098 > 5 6 K 0.04452834697529 0.76927946229649 0.12791852542612 39.098 > 5 7 K 0.04452834697529 0.26927946229649 0.62791852542612 39.098 > 5 8 K 0.04452834697529 0.76927946229649 0.62791852542612 39.098 > 5 9 K 0.95547165302471 0.23072053770351 0.37791852542612 39.098 > 9 10 K 0.95547165302471 0.73072053770351 0.37791852542612 39.098 > 9 11 K 0.95547165302471 0.23072053770351 0.87791852542612 39.098 > 9 12 K 0.95547165302471 0.73072053770351 0.87791852542612 39.098 > 9 13 K 0.54452834697529 0.48072053770351 0.12791852542612 39.098 > 13 14 K 0.54452834697529 0.98072053770351 0.12791852542612 39.098 > 13 15 K 0.54452834697529 0.48072053770351 0.62791852542612 39.098 > 13 16 K 0.54452834697529 0.98072053770351 0.62791852542612 39.098 > 13 17 Na 0.64870241589347 0.22264920973033 0.25097963545644 22.990 > 17 18 Na 0.64870241589347 0.72264920973033 0.25097963545644 22.990 > 17 19 Na 0.64870241589347 0.22264920973033 0.75097963545644 22.990 > 17 20 Na 0.64870241589347 0.72264920973033 0.75097963545644 22.990 > 17 21 Na 0.35129758410653 0.27735079026967 0.00097963545644 22.990 > 21 22 Na 0.35129758410653 0.77735079026967 0.00097963545644 22.990 > 21 23 Na 0.35129758410653 0.27735079026967 0.50097963545644 22.990 > 21 24 Na 0.35129758410653 0.77735079026967 0.50097963545644 22.990 > 21 25 Na 0.85129758410653 0.47264920973033 0.00097963545644 22.990 > 25 26 Na 0.85129758410653 0.97264920973033 0.00097963545644 22.990 > 25 27 Na 0.85129758410653 0.47264920973033 0.50097963545644 22.990 > 25 28 Na 0.85129758410653 0.97264920973033 0.50097963545644 22.990 > 25 29 Na 0.14870241589347 0.02735079026967 0.25097963545644 22.990 > 29 30 Na 0.14870241589347 0.52735079026967 0.25097963545644 22.990 > 29 31 Na 0.14870241589347 0.02735079026967 0.75097963545644 22.990 > 29 32 Na 0.14870241589347 0.52735079026967 0.75097963545644 22.990 > 29 33 Sn 0.63521421528369 0.22478711438513 0.49981370814669 118.710 > 33 34 Sn 0.63521421528369 0.72478711438513 0.49981370814669 118.710 > 33 35 Sn 0.63521421528369 0.22478711438513 0.99981370814669 118.710 > 33 36 Sn 0.63521421528369 0.72478711438513 0.99981370814669 118.710 > 33 37 Sn 0.13521421528369 0.02521288561487 0.49981370814669 118.710 > 37 38 Sn 0.13521421528369 0.52521288561487 0.49981370814669 118.710 > 37 39 Sn 0.13521421528369 0.02521288561487 0.99981370814669 118.710 > 37 40 Sn 0.13521421528369 0.52521288561487 0.99981370814669 118.710 > 37 41 Sn 0.36478578471631 0.27521288561487 0.24981370814669 118.710 > 41 42 Sn 0.36478578471631 0.77521288561487 0.24981370814669 118.710 > 41 43 Sn 0.36478578471631 0.27521288561487 0.74981370814669 118.710 > 41 44 Sn 0.36478578471631 0.77521288561487 0.74981370814669 118.710 > 41 45 Sn 0.86478578471631 0.47478711438513 0.24981370814669 118.710 > 45 46 Sn 0.86478578471631 0.97478711438513 0.24981370814669 118.710 > 45 47 Sn 0.86478578471631 0.47478711438513 0.74981370814669 118.710 > 45 48 Sn 0.86478578471631 0.97478711438513 0.74981370814669 118.710 > 45 49 F 0.37495430690275 0.32472131398321 0.13454069919474 18.998 > 49 50 F 0.37495430690275 0.82472131398321 0.13454069919474 18.998 > 49 51 F 0.37495430690275 0.32472131398321 0.63454069919474 18.998 > 49 52 F 0.37495430690275 0.82472131398321 0.63454069919474 18.998 > 49 53 F 0.70871870534689 0.08353551490236 0.03146933961280 18.998 > 53 54 F 0.70871870534689 0.58353551490236 0.03146933961280 18.998 > 53 55 F 0.70871870534689 0.08353551490236 0.53146933961280 18.998 > 53 56 F 0.70871870534689 0.58353551490236 0.53146933961280 18.998 > 53 57 F 0.04044607058368 0.39066958174907 0.47945973268373 18.998 > 57 58 F 0.04044607058368 0.89066958174907 0.47945973268373 18.998 > 57 59 F 0.04044607058368 0.39066958174907 0.97945973268373 18.998 > 57 60 F 0.04044607058368 0.89066958174907 0.97945973268373 18.998 > 57 61 F 0.35906301280875 0.22643695976122 0.36578198892098 18.998 > 61 62 F 0.35906301280875 0.72643695976122 0.36578198892098 18.998 > 61 63 F 0.35906301280875 0.22643695976122 0.86578198892098 18.998 > 61 64 F 0.35906301280875 0.72643695976122 0.86578198892098 18.998 > 61 65 F 0.62504569309725 0.17527868601679 0.38454069919474 18.998 > 65 66 F 0.62504569309725 0.67527868601679 0.38454069919474 18.998 > 65 67 F 0.62504569309725 0.17527868601679 0.88454069919474 18.998 > 65 68 F 0.62504569309725 0.67527868601679 0.88454069919474 18.998 > 65 69 F 0.64093698719125 0.27356304023878 0.11578198892098 18.998 > 69 70 F 0.64093698719125 0.77356304023878 0.11578198892098 18.998 > 69 71 F 0.64093698719125 0.27356304023878 0.61578198892098 18.998 > 69 72 F 0.64093698719125 0.77356304023878 0.61578198892098 18.998 > 69 73 F 0.72055953946158 0.05070936874258 0.22632123972657 18.998 > 73 74 F 0.72055953946158 0.55070936874258 0.22632123972657 18.998 > 73 75 F 0.72055953946158 0.05070936874258 0.72632123972657 18.998 > 73 76 F 0.72055953946158 0.55070936874258 0.72632123972657 18.998 > 73 77 F 0.45955392941632 0.14066958174907 0.22945973268373 18.998 > 77 78 F 0.45955392941632 0.64066958174907 0.22945973268373 18.998 > 77 79 F 0.45955392941632 0.14066958174907 0.72945973268373 18.998 > 77 80 F 0.45955392941632 0.64066958174907 0.72945973268373 18.998 > 77 81 F 0.51031076343734 0.35606014425357 0.26876513083193 18.998 > 81 82 F 0.51031076343734 0.85606014425357 0.26876513083193 18.998 > 81 83 F 0.51031076343734 0.35606014425357 0.76876513083193 18.998 > 81 84 F 0.51031076343734 0.85606014425357 0.76876513083193 18.998 > 81 85 F 0.79128129465311 0.33353551490236 0.28146933961280 18.998 > 85 86 F 0.79128129465311 0.83353551490236 0.28146933961280 18.998 > 85 87 F 0.79128129465311 0.33353551490236 0.78146933961280 18.998 > 85 88 F 0.79128129465311 0.83353551490236 0.78146933961280 18.998 > 85 89 F 0.22055953946158 0.19929063125742 0.22632123972657 18.998 > 89 90 F 0.22055953946158 0.69929063125742 0.22632123972657 18.998 > 89 91 F 0.22055953946158 0.19929063125742 0.72632123972657 18.998 > 89 92 F 0.22055953946158 0.69929063125742 0.72632123972657 18.998 > 89 93 F 0.27944046053842 0.44929063125742 0.47632123972657 18.998 > 93 94 F 0.27944046053842 0.94929063125742 0.47632123972657 18.998 > 93 95 F 0.27944046053842 0.44929063125742 0.97632123972657 18.998 > 93 96 F 0.27944046053842 0.94929063125742 0.97632123972657 18.998 > 93 97 F 0.95955392941632 0.10933041825093 0.22945973268373 18.998 > 97 98 F 0.95955392941632 0.60933041825093 0.22945973268373 18.998 > 97 99 F 0.95955392941632 0.10933041825093 0.72945973268373 18.998 > 97 100 F 0.95955392941632 0.60933041825093 0.72945973268373 18.998 > 97 101 F 0.54044607058368 0.35933041825093 0.47945973268373 18.998 > 101 102 F 0.54044607058368 0.85933041825093 0.47945973268373 18.998 > 101 103 F 0.54044607058368 0.35933041825093 0.97945973268373 18.998 > 101 104 F 0.54044607058368 0.85933041825093 0.97945973268373 18.998 > 101 105 F 0.98968923656266 0.10606014425357 0.01876513083193 18.998 > 105 106 F 0.98968923656266 0.60606014425357 0.01876513083193 18.998 > 105 107 F 0.98968923656266 0.10606014425357 0.51876513083193 18.998 > 105 108 F 0.98968923656266 0.60606014425357 0.51876513083193 18.998 > 105 109 F 0.14093698719125 0.47643695976122 0.11578198892098 18.998 > 109 110 F 0.14093698719125 0.97643695976122 0.11578198892098 18.998 > 109 111 F 0.14093698719125 0.47643695976122 0.61578198892098 18.998 > 109 112 F 0.14093698719125 0.97643695976122 0.61578198892098 18.998 > 109 113 F 0.01031076343734 0.39393985574643 0.26876513083193 18.998 > 113 114 F 0.01031076343734 0.89393985574643 0.26876513083193 18.998 > 113 115 F 0.01031076343734 0.39393985574643 0.76876513083193 18.998 > 113 116 F 0.01031076343734 0.89393985574643 0.76876513083193 18.998 > 113 117 F 0.29128129465311 0.41646448509764 0.28146933961280 18.998 > 117 118 F 0.29128129465311 0.91646448509764 0.28146933961280 18.998 > 117 119 F 0.29128129465311 0.41646448509764 0.78146933961280 18.998 > 117 120 F 0.29128129465311 0.91646448509764 0.78146933961280 18.998 > 117 121 F 0.85906301280875 0.02356304023878 0.36578198892098 18.998 > 121 122 F 0.85906301280875 0.52356304023878 0.36578198892098 18.998 > 121 123 F 0.85906301280875 0.02356304023878 0.86578198892098 18.998 > 121 124 F 0.85906301280875 0.52356304023878 0.86578198892098 18.998 > 121 125 F 0.20871870534689 0.16646448509764 0.03146933961280 18.998 > 125 126 F 0.20871870534689 0.66646448509764 0.03146933961280 18.998 > 125 127 F 0.20871870534689 0.16646448509764 0.53146933961280 18.998 > 125 128 F 0.20871870534689 0.66646448509764 0.53146933961280 18.998 > 125 129 F 0.48968923656266 0.14393985574643 0.01876513083193 18.998 > 129 130 F 0.48968923656266 0.64393985574643 0.01876513083193 18.998 > 129 131 F 0.48968923656266 0.14393985574643 0.51876513083193 18.998 > 129 132 F 0.48968923656266 0.64393985574643 0.51876513083193 18.998 > 129 133 F 0.87495430690275 0.42527868601679 0.13454069919474 18.998 > 133 134 F 0.87495430690275 0.92527868601679 0.13454069919474 18.998 > 133 135 F 0.87495430690275 0.42527868601679 0.63454069919474 18.998 > 133 136 F 0.87495430690275 0.92527868601679 0.63454069919474 18.998 > 133 137 F 0.77944046053842 0.30070936874258 0.47632123972657 18.998 > 137 138 F 0.77944046053842 0.80070936874258 0.47632123972657 18.998 > 137 139 F 0.77944046053842 0.30070936874258 0.97632123972657 18.998 > 137 140 F 0.77944046053842 0.80070936874258 0.97632123972657 18.998 > 137 141 F 0.12504569309725 0.07472131398321 0.38454069919474 18.998 > 141 142 F 0.12504569309725 0.57472131398321 0.38454069919474 18.998 > 141 143 F 0.12504569309725 0.07472131398321 0.88454069919474 18.998 > 141 144 F 0.12504569309725 0.57472131398321 0.88454069919474 18.998 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 1.9467302 0.0000000 0.0000000 0.0000000 1.9686826 0.0000000 0.0000000 0.0000000 1.9566012 -------------------------- Born effective charges -------------------------- 1 K 1.0997157 0.0589768 0.0542588 0.0398301 1.3067049 0.0277866 0.0657307 0.0193736 1.1629167 2 K 1.0997157 -0.0589768 -0.0542588 -0.0398301 1.3067049 0.0277866 -0.0657307 0.0193736 1.1629167 3 K 1.0997157 -0.0589768 0.0542588 -0.0398301 1.3067049 -0.0277866 0.0657307 -0.0193736 1.1629167 4 K 1.0997157 0.0589768 -0.0542588 0.0398301 1.3067049 -0.0277866 -0.0657307 -0.0193736 1.1629167 5 Na 1.1404763 -0.0609658 0.0076048 0.0065607 1.0260421 0.0334491 -0.0093363 -0.0734340 1.1417057 6 Na 1.1404763 -0.0609658 -0.0076048 0.0065607 1.0260421 -0.0334491 0.0093363 0.0734340 1.1417057 7 Na 1.1404763 0.0609658 -0.0076048 -0.0065607 1.0260421 0.0334491 0.0093363 -0.0734340 1.1417057 8 Na 1.1404763 0.0609658 0.0076048 -0.0065607 1.0260421 -0.0334491 -0.0093363 0.0734340 1.1417057 9 Sn 3.3547947 -0.0231499 -0.0099168 0.0165888 3.3626166 0.0267426 -0.0132429 0.0540905 3.3494097 10 Sn 3.3547947 0.0231499 -0.0099168 -0.0165888 3.3626166 -0.0267426 -0.0132429 -0.0540905 3.3494097 11 Sn 3.3547947 -0.0231499 0.0099168 0.0165888 3.3626166 -0.0267426 0.0132429 -0.0540905 3.3494097 12 Sn 3.3547947 0.0231499 0.0099168 -0.0165888 3.3626166 0.0267426 0.0132429 0.0540905 3.3494097 13 F -0.7595348 -0.0584512 0.0305622 -0.0675824 -0.7479115 0.1253040 0.0462730 0.1461710 -1.2790147 14 F -0.8904192 0.2500294 -0.0189143 0.2250396 -1.1579910 0.1446071 -0.0075083 0.1629273 -0.7496554 15 F -0.9237236 -0.2682067 -0.0783672 -0.2858052 -1.1539032 -0.0696825 -0.0804667 -0.0696512 -0.7975085 16 F -0.6951950 0.0319703 0.0098668 0.0219685 -0.8291526 0.1689048 -0.0038584 0.1527126 -1.2815008 17 F -0.7595348 -0.0584512 -0.0305622 -0.0675824 -0.7479115 -0.1253040 -0.0462730 -0.1461710 -1.2790147 18 F -0.6951950 0.0319703 -0.0098668 0.0219685 -0.8291526 -0.1689048 0.0038584 -0.1527126 -1.2815008 19 F -1.2357544 0.2718040 -0.1543794 0.2590989 -0.8778167 0.0162037 -0.1584562 0.0201615 -0.7370342 20 F -0.9237236 0.2682067 0.0783672 0.2858052 -1.1539032 -0.0696825 0.0804667 -0.0696512 -0.7975085 21 F -1.0903597 -0.1745871 -0.0151086 -0.1984050 -0.9285887 -0.0475513 -0.0124608 -0.0412617 -0.8093184 22 F -0.8904192 -0.2500294 0.0189143 -0.2250396 -1.1579910 0.1446071 0.0075083 0.1629273 -0.7496554 23 F -1.2357544 -0.2718040 -0.1543794 -0.2590989 -0.8778167 -0.0162037 -0.1584562 -0.0201615 -0.7370342 24 F -1.2357544 0.2718040 0.1543794 0.2590989 -0.8778167 -0.0162037 0.1584562 -0.0201615 -0.7370342 25 F -0.9237236 -0.2682067 0.0783672 -0.2858052 -1.1539032 0.0696825 0.0804667 0.0696512 -0.7975085 26 F -0.9237236 0.2682067 -0.0783672 0.2858052 -1.1539032 0.0696825 -0.0804667 0.0696512 -0.7975085 27 F -1.0903597 0.1745871 0.0151086 0.1984050 -0.9285887 -0.0475513 0.0124608 -0.0412617 -0.8093184 28 F -0.6951950 -0.0319703 -0.0098668 -0.0219685 -0.8291526 0.1689048 0.0038584 0.1527126 -1.2815008 29 F -1.0903597 0.1745871 -0.0151086 0.1984050 -0.9285887 0.0475513 -0.0124608 0.0412617 -0.8093184 30 F -0.8904192 0.2500294 0.0189143 0.2250396 -1.1579910 -0.1446071 0.0075083 -0.1629273 -0.7496554 31 F -0.6951950 -0.0319703 0.0098668 -0.0219685 -0.8291526 -0.1689048 -0.0038584 -0.1527126 -1.2815008 32 F -0.8904192 -0.2500294 -0.0189143 -0.2250396 -1.1579910 -0.1446071 -0.0075083 -0.1629273 -0.7496554 33 F -1.0903597 -0.1745871 0.0151086 -0.1984050 -0.9285887 0.0475513 0.0124608 0.0412617 -0.8093184 34 F -0.7595348 0.0584512 0.0305622 0.0675824 -0.7479115 -0.1253040 0.0462730 -0.1461710 -1.2790147 35 F -1.2357544 -0.2718040 0.1543794 -0.2590989 -0.8778167 0.0162037 0.1584562 0.0201615 -0.7370342 36 F -0.7595348 0.0584512 -0.0305622 0.0675824 -0.7479115 0.1253040 -0.0462730 0.1461710 -1.2790147 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 61, 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[ 73, 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] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yx) -0.00000000 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 11:45:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:45:50]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pna2_1 (33) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.890312320000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.024639070000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.176391290000000 Atomic positions (fractional): 1 K 0.45547165302471 0.03855892459299 0.75583705085223 39.098 2 K 0.04452834697529 0.53855892459299 0.25583705085223 39.098 3 K 0.95547165302471 0.46144107540701 0.75583705085223 39.098 4 K 0.54452834697529 0.96144107540701 0.25583705085223 39.098 5 Na 0.64870241589347 0.44529841946065 0.50195927091289 22.990 6 Na 0.35129758410653 0.55470158053935 0.00195927091289 22.990 7 Na 0.85129758410653 0.94529841946065 0.00195927091289 22.990 8 Na 0.14870241589347 0.05470158053935 0.50195927091289 22.990 9 Sn 0.63521421528369 0.44957422877026 0.99962741629338 118.710 10 Sn 0.13521421528369 0.05042577122974 0.99962741629338 118.710 11 Sn 0.36478578471631 0.55042577122974 0.49962741629338 118.710 12 Sn 0.86478578471631 0.94957422877026 0.49962741629338 118.710 13 F 0.37495430690275 0.64944262796643 0.26908139838948 18.998 14 F 0.70871870534689 0.16707102980472 0.06293867922560 18.998 15 F 0.04044607058368 0.78133916349814 0.95891946536746 18.998 16 F 0.35906301280875 0.45287391952244 0.73156397784197 18.998 17 F 0.62504569309725 0.35055737203358 0.76908139838948 18.998 18 F 0.64093698719125 0.54712608047756 0.23156397784197 18.998 19 F 0.72055953946158 0.10141873748515 0.45264247945314 18.998 20 F 0.45955392941632 0.28133916349814 0.45891946536746 18.998 21 F 0.51031076343734 0.71212028850715 0.53753026166386 18.998 22 F 0.79128129465311 0.66707102980472 0.56293867922560 18.998 23 F 0.22055953946158 0.39858126251485 0.45264247945314 18.998 24 F 0.27944046053842 0.89858126251485 0.95264247945314 18.998 25 F 0.95955392941632 0.21866083650186 0.45891946536746 18.998 26 F 0.54044607058368 0.71866083650186 0.95891946536746 18.998 27 F 0.98968923656266 0.21212028850715 0.03753026166386 18.998 28 F 0.14093698719125 0.95287391952244 0.23156397784197 18.998 29 F 0.01031076343734 0.78787971149285 0.53753026166386 18.998 30 F 0.29128129465311 0.83292897019528 0.56293867922560 18.998 31 F 0.85906301280875 0.04712608047756 0.73156397784197 18.998 32 F 0.20871870534689 0.33292897019528 0.06293867922560 18.998 33 F 0.48968923656266 0.28787971149285 0.03753026166386 18.998 34 F 0.87495430690275 0.85055737203357 0.26908139838948 18.998 35 F 0.77944046053842 0.60141873748515 0.95264247945314 18.998 36 F 0.12504569309725 0.14944262796642 0.76908139838948 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.890312320000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.049278140000000 0.000000000000000 c 0.000000000000000 0.000000000000000 16.352782580000000 Atomic positions (fractional): 1 K 0.45547165302471 0.01927946229649 0.37791852542612 39.098 > 1 2 K 0.45547165302471 0.51927946229649 0.37791852542612 39.098 > 1 3 K 0.45547165302471 0.01927946229649 0.87791852542612 39.098 > 1 4 K 0.45547165302471 0.51927946229649 0.87791852542612 39.098 > 1 5 K 0.04452834697529 0.26927946229649 0.12791852542612 39.098 > 5 6 K 0.04452834697529 0.76927946229649 0.12791852542612 39.098 > 5 7 K 0.04452834697529 0.26927946229649 0.62791852542612 39.098 > 5 8 K 0.04452834697529 0.76927946229649 0.62791852542612 39.098 > 5 9 K 0.95547165302471 0.23072053770351 0.37791852542612 39.098 > 9 10 K 0.95547165302471 0.73072053770351 0.37791852542612 39.098 > 9 11 K 0.95547165302471 0.23072053770351 0.87791852542612 39.098 > 9 12 K 0.95547165302471 0.73072053770351 0.87791852542612 39.098 > 9 13 K 0.54452834697529 0.48072053770351 0.12791852542612 39.098 > 13 14 K 0.54452834697529 0.98072053770351 0.12791852542612 39.098 > 13 15 K 0.54452834697529 0.48072053770351 0.62791852542612 39.098 > 13 16 K 0.54452834697529 0.98072053770351 0.62791852542612 39.098 > 13 17 Na 0.64870241589347 0.22264920973033 0.25097963545644 22.990 > 17 18 Na 0.64870241589347 0.72264920973033 0.25097963545644 22.990 > 17 19 Na 0.64870241589347 0.22264920973033 0.75097963545644 22.990 > 17 20 Na 0.64870241589347 0.72264920973033 0.75097963545644 22.990 > 17 21 Na 0.35129758410653 0.27735079026967 0.00097963545644 22.990 > 21 22 Na 0.35129758410653 0.77735079026967 0.00097963545644 22.990 > 21 23 Na 0.35129758410653 0.27735079026967 0.50097963545644 22.990 > 21 24 Na 0.35129758410653 0.77735079026967 0.50097963545644 22.990 > 21 25 Na 0.85129758410653 0.47264920973033 0.00097963545644 22.990 > 25 26 Na 0.85129758410653 0.97264920973033 0.00097963545644 22.990 > 25 27 Na 0.85129758410653 0.47264920973033 0.50097963545644 22.990 > 25 28 Na 0.85129758410653 0.97264920973033 0.50097963545644 22.990 > 25 29 Na 0.14870241589347 0.02735079026967 0.25097963545644 22.990 > 29 30 Na 0.14870241589347 0.52735079026967 0.25097963545644 22.990 > 29 31 Na 0.14870241589347 0.02735079026967 0.75097963545644 22.990 > 29 32 Na 0.14870241589347 0.52735079026967 0.75097963545644 22.990 > 29 33 Sn 0.63521421528369 0.22478711438513 0.49981370814669 118.710 > 33 34 Sn 0.63521421528369 0.72478711438513 0.49981370814669 118.710 > 33 35 Sn 0.63521421528369 0.22478711438513 0.99981370814669 118.710 > 33 36 Sn 0.63521421528369 0.72478711438513 0.99981370814669 118.710 > 33 37 Sn 0.13521421528369 0.02521288561487 0.49981370814669 118.710 > 37 38 Sn 0.13521421528369 0.52521288561487 0.49981370814669 118.710 > 37 39 Sn 0.13521421528369 0.02521288561487 0.99981370814669 118.710 > 37 40 Sn 0.13521421528369 0.52521288561487 0.99981370814669 118.710 > 37 41 Sn 0.36478578471631 0.27521288561487 0.24981370814669 118.710 > 41 42 Sn 0.36478578471631 0.77521288561487 0.24981370814669 118.710 > 41 43 Sn 0.36478578471631 0.27521288561487 0.74981370814669 118.710 > 41 44 Sn 0.36478578471631 0.77521288561487 0.74981370814669 118.710 > 41 45 Sn 0.86478578471631 0.47478711438513 0.24981370814669 118.710 > 45 46 Sn 0.86478578471631 0.97478711438513 0.24981370814669 118.710 > 45 47 Sn 0.86478578471631 0.47478711438513 0.74981370814669 118.710 > 45 48 Sn 0.86478578471631 0.97478711438513 0.74981370814669 118.710 > 45 49 F 0.37495430690275 0.32472131398321 0.13454069919474 18.998 > 49 50 F 0.37495430690275 0.82472131398321 0.13454069919474 18.998 > 49 51 F 0.37495430690275 0.32472131398321 0.63454069919474 18.998 > 49 52 F 0.37495430690275 0.82472131398321 0.63454069919474 18.998 > 49 53 F 0.70871870534689 0.08353551490236 0.03146933961280 18.998 > 53 54 F 0.70871870534689 0.58353551490236 0.03146933961280 18.998 > 53 55 F 0.70871870534689 0.08353551490236 0.53146933961280 18.998 > 53 56 F 0.70871870534689 0.58353551490236 0.53146933961280 18.998 > 53 57 F 0.04044607058368 0.39066958174907 0.47945973268373 18.998 > 57 58 F 0.04044607058368 0.89066958174907 0.47945973268373 18.998 > 57 59 F 0.04044607058368 0.39066958174907 0.97945973268373 18.998 > 57 60 F 0.04044607058368 0.89066958174907 0.97945973268373 18.998 > 57 61 F 0.35906301280875 0.22643695976122 0.36578198892098 18.998 > 61 62 F 0.35906301280875 0.72643695976122 0.36578198892098 18.998 > 61 63 F 0.35906301280875 0.22643695976122 0.86578198892098 18.998 > 61 64 F 0.35906301280875 0.72643695976122 0.86578198892098 18.998 > 61 65 F 0.62504569309725 0.17527868601679 0.38454069919474 18.998 > 65 66 F 0.62504569309725 0.67527868601679 0.38454069919474 18.998 > 65 67 F 0.62504569309725 0.17527868601679 0.88454069919474 18.998 > 65 68 F 0.62504569309725 0.67527868601679 0.88454069919474 18.998 > 65 69 F 0.64093698719125 0.27356304023878 0.11578198892098 18.998 > 69 70 F 0.64093698719125 0.77356304023878 0.11578198892098 18.998 > 69 71 F 0.64093698719125 0.27356304023878 0.61578198892098 18.998 > 69 72 F 0.64093698719125 0.77356304023878 0.61578198892098 18.998 > 69 73 F 0.72055953946158 0.05070936874258 0.22632123972657 18.998 > 73 74 F 0.72055953946158 0.55070936874258 0.22632123972657 18.998 > 73 75 F 0.72055953946158 0.05070936874258 0.72632123972657 18.998 > 73 76 F 0.72055953946158 0.55070936874258 0.72632123972657 18.998 > 73 77 F 0.45955392941632 0.14066958174907 0.22945973268373 18.998 > 77 78 F 0.45955392941632 0.64066958174907 0.22945973268373 18.998 > 77 79 F 0.45955392941632 0.14066958174907 0.72945973268373 18.998 > 77 80 F 0.45955392941632 0.64066958174907 0.72945973268373 18.998 > 77 81 F 0.51031076343734 0.35606014425357 0.26876513083193 18.998 > 81 82 F 0.51031076343734 0.85606014425357 0.26876513083193 18.998 > 81 83 F 0.51031076343734 0.35606014425357 0.76876513083193 18.998 > 81 84 F 0.51031076343734 0.85606014425357 0.76876513083193 18.998 > 81 85 F 0.79128129465311 0.33353551490236 0.28146933961280 18.998 > 85 86 F 0.79128129465311 0.83353551490236 0.28146933961280 18.998 > 85 87 F 0.79128129465311 0.33353551490236 0.78146933961280 18.998 > 85 88 F 0.79128129465311 0.83353551490236 0.78146933961280 18.998 > 85 89 F 0.22055953946158 0.19929063125742 0.22632123972657 18.998 > 89 90 F 0.22055953946158 0.69929063125742 0.22632123972657 18.998 > 89 91 F 0.22055953946158 0.19929063125742 0.72632123972657 18.998 > 89 92 F 0.22055953946158 0.69929063125742 0.72632123972657 18.998 > 89 93 F 0.27944046053842 0.44929063125742 0.47632123972657 18.998 > 93 94 F 0.27944046053842 0.94929063125742 0.47632123972657 18.998 > 93 95 F 0.27944046053842 0.44929063125742 0.97632123972657 18.998 > 93 96 F 0.27944046053842 0.94929063125742 0.97632123972657 18.998 > 93 97 F 0.95955392941632 0.10933041825093 0.22945973268373 18.998 > 97 98 F 0.95955392941632 0.60933041825093 0.22945973268373 18.998 > 97 99 F 0.95955392941632 0.10933041825093 0.72945973268373 18.998 > 97 100 F 0.95955392941632 0.60933041825093 0.72945973268373 18.998 > 97 101 F 0.54044607058368 0.35933041825093 0.47945973268373 18.998 > 101 102 F 0.54044607058368 0.85933041825093 0.47945973268373 18.998 > 101 103 F 0.54044607058368 0.35933041825093 0.97945973268373 18.998 > 101 104 F 0.54044607058368 0.85933041825093 0.97945973268373 18.998 > 101 105 F 0.98968923656266 0.10606014425357 0.01876513083193 18.998 > 105 106 F 0.98968923656266 0.60606014425357 0.01876513083193 18.998 > 105 107 F 0.98968923656266 0.10606014425357 0.51876513083193 18.998 > 105 108 F 0.98968923656266 0.60606014425357 0.51876513083193 18.998 > 105 109 F 0.14093698719125 0.47643695976122 0.11578198892098 18.998 > 109 110 F 0.14093698719125 0.97643695976122 0.11578198892098 18.998 > 109 111 F 0.14093698719125 0.47643695976122 0.61578198892098 18.998 > 109 112 F 0.14093698719125 0.97643695976122 0.61578198892098 18.998 > 109 113 F 0.01031076343734 0.39393985574643 0.26876513083193 18.998 > 113 114 F 0.01031076343734 0.89393985574643 0.26876513083193 18.998 > 113 115 F 0.01031076343734 0.39393985574643 0.76876513083193 18.998 > 113 116 F 0.01031076343734 0.89393985574643 0.76876513083193 18.998 > 113 117 F 0.29128129465311 0.41646448509764 0.28146933961280 18.998 > 117 118 F 0.29128129465311 0.91646448509764 0.28146933961280 18.998 > 117 119 F 0.29128129465311 0.41646448509764 0.78146933961280 18.998 > 117 120 F 0.29128129465311 0.91646448509764 0.78146933961280 18.998 > 117 121 F 0.85906301280875 0.02356304023878 0.36578198892098 18.998 > 121 122 F 0.85906301280875 0.52356304023878 0.36578198892098 18.998 > 121 123 F 0.85906301280875 0.02356304023878 0.86578198892098 18.998 > 121 124 F 0.85906301280875 0.52356304023878 0.86578198892098 18.998 > 121 125 F 0.20871870534689 0.16646448509764 0.03146933961280 18.998 > 125 126 F 0.20871870534689 0.66646448509764 0.03146933961280 18.998 > 125 127 F 0.20871870534689 0.16646448509764 0.53146933961280 18.998 > 125 128 F 0.20871870534689 0.66646448509764 0.53146933961280 18.998 > 125 129 F 0.48968923656266 0.14393985574643 0.01876513083193 18.998 > 129 130 F 0.48968923656266 0.64393985574643 0.01876513083193 18.998 > 129 131 F 0.48968923656266 0.14393985574643 0.51876513083193 18.998 > 129 132 F 0.48968923656266 0.64393985574643 0.51876513083193 18.998 > 129 133 F 0.87495430690275 0.42527868601679 0.13454069919474 18.998 > 133 134 F 0.87495430690275 0.92527868601679 0.13454069919474 18.998 > 133 135 F 0.87495430690275 0.42527868601679 0.63454069919474 18.998 > 133 136 F 0.87495430690275 0.92527868601679 0.63454069919474 18.998 > 133 137 F 0.77944046053842 0.30070936874258 0.47632123972657 18.998 > 137 138 F 0.77944046053842 0.80070936874258 0.47632123972657 18.998 > 137 139 F 0.77944046053842 0.30070936874258 0.97632123972657 18.998 > 137 140 F 0.77944046053842 0.80070936874258 0.97632123972657 18.998 > 137 141 F 0.12504569309725 0.07472131398321 0.38454069919474 18.998 > 141 142 F 0.12504569309725 0.57472131398321 0.38454069919474 18.998 > 141 143 F 0.12504569309725 0.07472131398321 0.88454069919474 18.998 > 141 144 F 0.12504569309725 0.57472131398321 0.88454069919474 18.998 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 1.9467302 0.0000000 0.0000000 0.0000000 1.9686826 0.0000000 0.0000000 0.0000000 1.9566012 -------------------------- Born effective charges -------------------------- 1 K 1.0997157 0.0589768 0.0542588 0.0398301 1.3067049 0.0277866 0.0657307 0.0193736 1.1629167 2 K 1.0997157 -0.0589768 -0.0542588 -0.0398301 1.3067049 0.0277866 -0.0657307 0.0193736 1.1629167 3 K 1.0997157 -0.0589768 0.0542588 -0.0398301 1.3067049 -0.0277866 0.0657307 -0.0193736 1.1629167 4 K 1.0997157 0.0589768 -0.0542588 0.0398301 1.3067049 -0.0277866 -0.0657307 -0.0193736 1.1629167 5 Na 1.1404763 -0.0609658 0.0076048 0.0065607 1.0260421 0.0334491 -0.0093363 -0.0734340 1.1417057 6 Na 1.1404763 -0.0609658 -0.0076048 0.0065607 1.0260421 -0.0334491 0.0093363 0.0734340 1.1417057 7 Na 1.1404763 0.0609658 -0.0076048 -0.0065607 1.0260421 0.0334491 0.0093363 -0.0734340 1.1417057 8 Na 1.1404763 0.0609658 0.0076048 -0.0065607 1.0260421 -0.0334491 -0.0093363 0.0734340 1.1417057 9 Sn 3.3547947 -0.0231499 -0.0099168 0.0165888 3.3626166 0.0267426 -0.0132429 0.0540905 3.3494097 10 Sn 3.3547947 0.0231499 -0.0099168 -0.0165888 3.3626166 -0.0267426 -0.0132429 -0.0540905 3.3494097 11 Sn 3.3547947 -0.0231499 0.0099168 0.0165888 3.3626166 -0.0267426 0.0132429 -0.0540905 3.3494097 12 Sn 3.3547947 0.0231499 0.0099168 -0.0165888 3.3626166 0.0267426 0.0132429 0.0540905 3.3494097 13 F -0.7595348 -0.0584512 0.0305622 -0.0675824 -0.7479115 0.1253040 0.0462730 0.1461710 -1.2790147 14 F -0.8904192 0.2500294 -0.0189143 0.2250396 -1.1579910 0.1446071 -0.0075083 0.1629273 -0.7496554 15 F -0.9237236 -0.2682067 -0.0783672 -0.2858052 -1.1539032 -0.0696825 -0.0804667 -0.0696512 -0.7975085 16 F -0.6951950 0.0319703 0.0098668 0.0219685 -0.8291526 0.1689048 -0.0038584 0.1527126 -1.2815008 17 F -0.7595348 -0.0584512 -0.0305622 -0.0675824 -0.7479115 -0.1253040 -0.0462730 -0.1461710 -1.2790147 18 F -0.6951950 0.0319703 -0.0098668 0.0219685 -0.8291526 -0.1689048 0.0038584 -0.1527126 -1.2815008 19 F -1.2357544 0.2718040 -0.1543794 0.2590989 -0.8778167 0.0162037 -0.1584562 0.0201615 -0.7370342 20 F -0.9237236 0.2682067 0.0783672 0.2858052 -1.1539032 -0.0696825 0.0804667 -0.0696512 -0.7975085 21 F -1.0903597 -0.1745871 -0.0151086 -0.1984050 -0.9285887 -0.0475513 -0.0124608 -0.0412617 -0.8093184 22 F -0.8904192 -0.2500294 0.0189143 -0.2250396 -1.1579910 0.1446071 0.0075083 0.1629273 -0.7496554 23 F -1.2357544 -0.2718040 -0.1543794 -0.2590989 -0.8778167 -0.0162037 -0.1584562 -0.0201615 -0.7370342 24 F -1.2357544 0.2718040 0.1543794 0.2590989 -0.8778167 -0.0162037 0.1584562 -0.0201615 -0.7370342 25 F -0.9237236 -0.2682067 0.0783672 -0.2858052 -1.1539032 0.0696825 0.0804667 0.0696512 -0.7975085 26 F -0.9237236 0.2682067 -0.0783672 0.2858052 -1.1539032 0.0696825 -0.0804667 0.0696512 -0.7975085 27 F -1.0903597 0.1745871 0.0151086 0.1984050 -0.9285887 -0.0475513 0.0124608 -0.0412617 -0.8093184 28 F -0.6951950 -0.0319703 -0.0098668 -0.0219685 -0.8291526 0.1689048 0.0038584 0.1527126 -1.2815008 29 F -1.0903597 0.1745871 -0.0151086 0.1984050 -0.9285887 0.0475513 -0.0124608 0.0412617 -0.8093184 30 F -0.8904192 0.2500294 0.0189143 0.2250396 -1.1579910 -0.1446071 0.0075083 -0.1629273 -0.7496554 31 F -0.6951950 -0.0319703 0.0098668 -0.0219685 -0.8291526 -0.1689048 -0.0038584 -0.1527126 -1.2815008 32 F -0.8904192 -0.2500294 -0.0189143 -0.2250396 -1.1579910 -0.1446071 -0.0075083 -0.1629273 -0.7496554 33 F -1.0903597 -0.1745871 0.0151086 -0.1984050 -0.9285887 0.0475513 0.0124608 0.0412617 -0.8093184 34 F -0.7595348 0.0584512 0.0305622 0.0675824 -0.7479115 -0.1253040 0.0462730 -0.1461710 -1.2790147 35 F -1.2357544 -0.2718040 0.1543794 -0.2590989 -0.8778167 0.0162037 0.1584562 0.0201615 -0.7370342 36 F -0.7595348 0.0584512 -0.0305622 0.0675824 -0.7479115 0.1253040 -0.0462730 0.1461710 -1.2790147 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- 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 ... [ 4 8 6 ] 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: 0.50, Number of G-points: 287, Lambda: 0.07 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 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 1.221 ( 0.000 0.000 0.000) 0.000 1.432 ( 0.000 0.000 0.000) 0.000 1.486 ( 0.000 0.000 -0.000) 0.000 1.603 ( 0.000 0.000 0.000) 0.000 1.785 ( 0.000 0.000 0.000) 0.000 1.795 ( 0.000 0.000 0.000) 0.000 2.066 ( 0.000 0.000 -0.000) 0.000 2.158 ( 0.000 0.000 0.000) 0.000 2.199 ( 0.000 0.000 -0.000) 0.000 2.243 ( 0.000 0.000 -0.000) 0.000 2.361 ( 0.000 0.000 -0.000) 0.000 2.474 ( 0.000 0.000 0.000) 0.000 2.561 ( 0.000 0.000 0.000) 0.000 2.601 ( 0.000 0.000 0.000) 0.000 2.601 ( 0.000 0.000 0.000) 0.000 2.724 ( 0.000 0.000 0.000) 0.000 2.794 ( 0.000 0.000 -0.000) 0.000 2.921 ( 0.000 0.000 0.000) 0.000 3.036 ( 0.000 0.000 -0.000) 0.000 3.096 ( 0.000 0.000 -0.000) 0.000 3.141 ( 0.000 0.000 0.000) 0.000 3.335 ( 0.000 0.000 -0.000) 0.000 3.391 ( 0.000 0.000 0.000) 0.000 3.420 ( 0.000 0.000 0.000) 0.000 3.594 ( 0.000 0.000 0.000) 0.000 3.686 ( 0.000 0.000 0.000) 0.000 3.841 ( 0.000 0.000 -0.000) 0.000 3.885 ( 0.000 0.000 -0.000) 0.000 3.934 ( 0.000 0.000 0.000) 0.000 3.988 ( 0.000 0.000 0.000) 0.000 4.147 ( 0.000 0.000 0.000) 0.000 4.220 ( 0.000 0.000 -0.000) 0.000 4.408 ( 0.000 0.000 0.000) 0.000 4.443 ( 0.000 0.000 0.000) 0.000 4.450 ( 0.000 0.000 0.000) 0.000 4.543 ( 0.000 0.000 0.000) 0.000 4.601 ( 0.000 0.000 0.000) 0.000 4.623 ( 0.000 0.000 0.000) 0.000 4.648 ( 0.000 0.000 -0.000) 0.000 4.664 ( 0.000 0.000 0.000) 0.000 4.834 ( 0.000 0.000 -0.000) 0.000 4.930 ( 0.000 0.000 0.000) 0.000 4.988 ( 0.000 0.000 0.000) 0.000 4.993 ( 0.000 0.000 -0.000) 0.000 5.170 ( 0.000 0.000 0.000) 0.000 5.547 ( 0.000 0.000 0.000) 0.000 5.560 ( 0.000 0.000 0.000) 0.000 5.671 ( 0.000 0.000 0.000) 0.000 5.692 ( 0.000 0.000 0.000) 0.000 5.791 ( 0.000 0.000 -0.000) 0.000 5.851 ( 0.000 0.000 0.000) 0.000 5.924 ( 0.000 0.000 0.000) 0.000 6.080 ( 0.000 0.000 0.000) 0.000 6.244 ( 0.000 0.000 0.000) 0.000 6.311 ( 0.000 0.000 0.000) 0.000 6.387 ( 0.000 0.000 0.000) 0.000 6.445 ( 0.000 0.000 0.000) 0.000 6.572 ( 0.000 0.000 -0.000) 0.000 6.626 ( 0.000 0.000 0.000) 0.000 6.632 ( 0.000 0.000 0.000) 0.000 6.643 ( 0.000 0.000 0.000) 0.000 6.826 ( 0.000 0.000 0.000) 0.000 7.170 ( 0.000 0.000 -0.000) 0.000 7.181 ( 0.000 0.000 -0.000) 0.000 7.207 ( 0.000 0.000 -0.000) 0.000 7.226 ( 0.000 0.000 -0.000) 0.000 7.446 ( 0.000 0.000 0.000) 0.000 7.481 ( 0.000 0.000 -0.000) 0.000 7.488 ( 0.000 0.000 0.000) 0.000 7.601 ( 0.000 0.000 -0.000) 0.000 7.603 ( 0.000 0.000 -0.000) 0.000 7.735 ( 0.000 0.000 0.000) 0.000 7.882 ( 0.000 0.000 0.000) 0.000 7.900 ( 0.000 0.000 -0.000) 0.000 8.189 ( 0.000 0.000 -0.000) 0.000 8.251 ( 0.000 0.000 0.000) 0.000 8.464 ( 0.000 0.000 0.000) 0.000 8.507 ( 0.000 0.000 0.000) 0.000 8.629 ( 0.000 0.000 0.000) 0.000 8.699 ( 0.000 0.000 -0.000) 0.000 8.942 ( 0.000 0.000 -0.000) 0.000 13.191 ( 0.000 0.000 0.000) 0.000 13.307 ( 0.000 0.000 0.000) 0.000 13.390 ( 0.000 0.000 0.000) 0.000 13.528 ( 0.000 0.000 0.000) 0.000 13.682 ( 0.000 0.000 -0.000) 0.000 13.834 ( 0.000 0.000 0.000) 0.000 13.852 ( 0.000 0.000 -0.000) 0.000 14.413 ( 0.000 0.000 -0.000) 0.000 15.575 ( 0.000 0.000 0.000) 0.000 15.576 ( 0.000 0.000 0.000) 0.000 15.767 ( 0.000 0.000 0.000) 0.000 15.857 ( 0.000 0.000 0.000) 0.000 15.876 ( 0.000 0.000 0.000) 0.000 16.067 ( 0.000 0.000 0.000) 0.000 16.080 ( 0.000 0.000 0.000) 0.000 16.121 ( 0.000 0.000 -0.000) 0.000 16.254 ( 0.000 0.000 0.000) 0.000 16.298 ( 0.000 0.000 0.000) 0.000 16.369 ( 0.000 0.000 0.000) 0.000 16.503 ( 0.000 0.000 -0.000) 0.000 16.594 ( 0.000 0.000 0.000) 0.000 16.608 ( 0.000 0.000 0.000) 0.000 16.819 ( 0.000 0.000 0.000) 0.000 16.994 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.351 ( 16.939 0.000 0.000) 16.939 0.482 ( 22.550 0.000 0.000) 22.550 0.718 ( 31.991 0.000 0.000) 31.991 1.018 ( -13.917 0.000 0.000) 13.917 1.364 ( -15.971 0.000 0.000) 15.971 1.609 ( 12.523 0.000 0.000) 12.523 1.622 ( 3.957 0.000 0.000) 3.957 1.806 ( 1.181 0.000 0.000) 1.181 1.882 ( 2.287 0.000 0.000) 2.287 1.905 ( -8.521 0.000 0.000) 8.521 2.125 ( -6.561 0.000 0.000) 6.561 2.243 ( -10.450 0.000 0.000) 10.450 2.244 ( 2.194 0.000 0.000) 2.194 2.273 ( 3.282 0.000 0.000) 3.282 2.549 ( 4.522 0.000 0.000) 4.522 2.601 ( 3.229 0.000 0.000) 3.229 2.619 ( 0.977 0.000 0.000) 0.977 2.713 ( -1.633 0.000 0.000) 1.633 2.748 ( 1.193 0.000 0.000) 1.193 2.807 ( 1.937 0.000 0.000) 1.937 2.888 ( -2.935 0.000 0.000) 2.935 2.979 ( -4.404 0.000 0.000) 4.404 3.169 ( 2.511 0.000 0.000) 2.511 3.261 ( 1.235 0.000 0.000) 1.235 3.316 ( -1.227 0.000 0.000) 1.227 3.389 ( -2.886 0.000 0.000) 2.886 3.549 ( 1.535 0.000 0.000) 1.535 3.601 ( 0.668 0.000 0.000) 0.668 3.636 ( -2.679 0.000 0.000) 2.679 3.772 ( -5.446 0.000 0.000) 5.446 3.930 ( -0.464 0.000 0.000) 0.464 3.932 ( 1.125 0.000 0.000) 1.125 4.073 ( 6.067 0.000 0.000) 6.067 4.138 ( 2.625 0.000 0.000) 2.625 4.281 ( 2.742 0.000 0.000) 2.742 4.415 ( -3.099 0.000 0.000) 3.099 4.439 ( -1.278 0.000 0.000) 1.278 4.467 ( -3.453 0.000 0.000) 3.453 4.554 ( -0.480 0.000 0.000) 0.480 4.560 ( -2.597 0.000 0.000) 2.597 4.634 ( 0.259 0.000 0.000) 0.259 4.658 ( 0.556 0.000 0.000) 0.556 4.720 ( 2.229 0.000 0.000) 2.229 4.814 ( -1.807 0.000 0.000) 1.807 4.940 ( 0.782 0.000 0.000) 0.782 4.994 ( 0.123 0.000 0.000) 0.123 5.025 ( 2.221 0.000 0.000) 2.221 5.140 ( -2.737 0.000 0.000) 2.737 5.509 ( -1.968 0.000 0.000) 1.968 5.597 ( -3.943 0.000 0.000) 3.943 5.660 ( -1.147 0.000 0.000) 1.147 5.682 ( -1.728 0.000 0.000) 1.728 5.821 ( 1.273 0.000 0.000) 1.273 5.867 ( 2.229 0.000 0.000) 2.229 5.954 ( 3.827 0.000 0.000) 3.827 6.171 ( -0.060 0.000 0.000) 0.060 6.264 ( 6.039 0.000 0.000) 6.039 6.366 ( 4.269 0.000 0.000) 4.269 6.474 ( 3.023 0.000 0.000) 3.023 6.549 ( -1.782 0.000 0.000) 1.782 6.607 ( -1.975 0.000 0.000) 1.975 6.641 ( 0.903 0.000 0.000) 0.903 6.661 ( 1.126 0.000 0.000) 1.126 6.749 ( -5.748 0.000 0.000) 5.748 7.020 ( 2.675 0.000 0.000) 2.675 7.133 ( -2.779 0.000 0.000) 2.779 7.196 ( 0.004 0.000 0.000) 0.004 7.256 ( -2.209 0.000 0.000) 2.209 7.264 ( 2.394 0.000 0.000) 2.394 7.398 ( -3.760 0.000 0.000) 3.760 7.508 ( 1.226 0.000 0.000) 1.226 7.544 ( 4.457 0.000 0.000) 4.457 7.585 ( -1.806 0.000 0.000) 1.806 7.720 ( -1.473 0.000 0.000) 1.473 7.861 ( -2.476 0.000 0.000) 2.476 7.871 ( -0.960 0.000 0.000) 0.960 8.207 ( 2.600 0.000 0.000) 2.600 8.320 ( 4.627 0.000 0.000) 4.627 8.375 ( -3.839 0.000 0.000) 3.839 8.472 ( -2.289 0.000 0.000) 2.289 8.574 ( 2.455 0.000 0.000) 2.455 8.631 ( -0.106 0.000 0.000) 0.106 8.728 ( 2.893 0.000 0.000) 2.893 8.906 ( -3.416 0.000 0.000) 3.416 13.221 ( 2.662 0.000 0.000) 2.662 13.339 ( 2.550 0.000 0.000) 2.550 13.361 ( -2.589 0.000 0.000) 2.589 13.491 ( -3.206 0.000 0.000) 3.206 13.692 ( 0.944 0.000 0.000) 0.944 13.771 ( -2.711 0.000 0.000) 2.711 13.967 ( 7.488 0.000 0.000) 7.488 14.365 ( -8.914 0.000 0.000) 8.914 15.682 ( 8.655 0.000 0.000) 8.655 15.778 ( 1.170 0.000 0.000) 1.170 15.859 ( -1.400 0.000 0.000) 1.400 15.893 ( 3.005 0.000 0.000) 3.005 16.023 ( -1.948 0.000 0.000) 1.948 16.031 ( -4.604 0.000 0.000) 4.604 16.132 ( 1.043 0.000 0.000) 1.043 16.226 ( -2.932 0.000 0.000) 2.932 16.297 ( 1.184 0.000 0.000) 1.184 16.355 ( -0.891 0.000 0.000) 0.891 16.406 ( 2.497 0.000 0.000) 2.497 16.503 ( -1.659 0.000 0.000) 1.659 16.630 ( 1.999 0.000 0.000) 1.999 16.769 ( -3.778 0.000 0.000) 3.778 17.031 ( 2.651 0.000 0.000) 2.651 17.120 ( -1.191 0.000 0.000) 1.191 ======================= Grid point 2 (3/60) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.694 ( -15.405 0.000 0.000) 15.405 0.694 ( 15.405 0.000 0.000) 15.405 0.945 ( -19.508 0.000 0.000) 19.508 0.945 ( 19.508 0.000 0.000) 19.508 1.346 ( -23.578 0.000 0.000) 23.578 1.346 ( 23.578 0.000 0.000) 23.578 1.865 ( -0.260 0.000 0.000) 0.260 1.865 ( 0.260 0.000 0.000) 0.260 1.947 ( -0.003 0.000 0.000) 0.003 1.947 ( 0.003 0.000 0.000) 0.003 1.951 ( -5.885 0.000 0.000) 5.885 1.951 ( 5.885 0.000 0.000) 5.885 2.301 ( -1.211 0.000 0.000) 1.211 2.301 ( 1.211 0.000 0.000) 1.211 2.616 ( -1.735 0.000 0.000) 1.735 2.616 ( 1.735 0.000 0.000) 1.735 2.661 ( -2.542 0.000 0.000) 2.542 2.661 ( 2.542 0.000 0.000) 2.542 2.809 ( -4.117 0.000 0.000) 4.117 2.809 ( 4.117 0.000 0.000) 4.117 2.880 ( -4.568 0.000 0.000) 4.568 2.880 ( 4.568 0.000 0.000) 4.568 3.234 ( -3.128 0.000 0.000) 3.128 3.234 ( 3.128 0.000 0.000) 3.128 3.327 ( -2.239 0.000 0.000) 2.239 3.327 ( 2.239 0.000 0.000) 2.239 3.599 ( -1.511 0.000 0.000) 1.511 3.599 ( 1.511 0.000 0.000) 1.511 3.645 ( -5.102 0.000 0.000) 5.102 3.645 ( 5.102 0.000 0.000) 5.102 3.932 ( -0.387 0.000 0.000) 0.387 3.932 ( 0.387 0.000 0.000) 0.387 4.189 ( -2.299 0.000 0.000) 2.299 4.189 ( 2.299 0.000 0.000) 2.299 4.318 ( -3.602 0.000 0.000) 3.602 4.318 ( 3.602 0.000 0.000) 3.602 4.422 ( -0.754 0.000 0.000) 0.754 4.422 ( 0.754 0.000 0.000) 0.754 4.538 ( -0.379 0.000 0.000) 0.379 4.538 ( 0.379 0.000 0.000) 0.379 4.656 ( -0.922 0.000 0.000) 0.922 4.656 ( 0.922 0.000 0.000) 0.922 4.767 ( -2.382 0.000 0.000) 2.382 4.767 ( 2.382 0.000 0.000) 2.382 4.975 ( -1.922 0.000 0.000) 1.922 4.975 ( 1.922 0.000 0.000) 1.922 5.076 ( -2.786 0.000 0.000) 2.786 5.076 ( 2.786 0.000 0.000) 2.786 5.519 ( -2.691 0.000 0.000) 2.691 5.519 ( 2.691 0.000 0.000) 2.691 5.651 ( -0.410 0.000 0.000) 0.410 5.651 ( 0.410 0.000 0.000) 0.410 5.865 ( -1.671 0.000 0.000) 1.671 5.865 ( 1.671 0.000 0.000) 1.671 6.077 ( -6.423 0.000 0.000) 6.423 6.077 ( 6.423 0.000 0.000) 6.423 6.403 ( -3.395 0.000 0.000) 3.395 6.403 ( 3.395 0.000 0.000) 3.395 6.531 ( -0.576 0.000 0.000) 0.576 6.531 ( 0.576 0.000 0.000) 0.576 6.597 ( -4.388 0.000 0.000) 4.388 6.597 ( 4.388 0.000 0.000) 4.388 6.677 ( -0.438 0.000 0.000) 0.438 6.677 ( 0.438 0.000 0.000) 0.438 7.075 ( -2.641 0.000 0.000) 2.641 7.075 ( 2.641 0.000 0.000) 2.641 7.213 ( -1.596 0.000 0.000) 1.596 7.213 ( 1.596 0.000 0.000) 1.596 7.322 ( -3.204 0.000 0.000) 3.204 7.322 ( 3.204 0.000 0.000) 3.204 7.539 ( -1.987 0.000 0.000) 1.987 7.539 ( 1.987 0.000 0.000) 1.987 7.648 ( -4.962 0.000 0.000) 4.962 7.648 ( 4.962 0.000 0.000) 4.962 7.848 ( -0.935 0.000 0.000) 0.935 7.848 ( 0.935 0.000 0.000) 0.935 8.285 ( -4.354 0.000 0.000) 4.354 8.285 ( 4.354 0.000 0.000) 4.354 8.410 ( -3.672 0.000 0.000) 3.672 8.410 ( 3.672 0.000 0.000) 3.672 8.615 ( -1.388 0.000 0.000) 1.388 8.615 ( 1.388 0.000 0.000) 1.388 8.814 ( -4.794 0.000 0.000) 4.794 8.814 ( 4.794 0.000 0.000) 4.794 13.292 ( -3.675 0.000 0.000) 3.675 13.292 ( 3.675 0.000 0.000) 3.675 13.411 ( -3.970 0.000 0.000) 3.970 13.411 ( 3.970 0.000 0.000) 3.970 13.722 ( -1.914 0.000 0.000) 1.914 13.722 ( 1.914 0.000 0.000) 1.914 14.155 ( -10.072 0.000 0.000) 10.072 14.155 ( 10.072 0.000 0.000) 10.072 15.811 ( -1.280 0.000 0.000) 1.280 15.811 ( 1.280 0.000 0.000) 1.280 15.888 ( -7.993 0.000 0.000) 7.993 15.888 ( 7.993 0.000 0.000) 7.993 15.966 ( -3.241 0.000 0.000) 3.241 15.966 ( 3.241 0.000 0.000) 3.241 16.166 ( -2.307 0.000 0.000) 2.307 16.166 ( 2.307 0.000 0.000) 2.307 16.329 ( -1.545 0.000 0.000) 1.545 16.329 ( 1.545 0.000 0.000) 1.545 16.459 ( -2.413 0.000 0.000) 2.413 16.459 ( 2.413 0.000 0.000) 2.413 16.689 ( -3.506 0.000 0.000) 3.506 16.689 ( 3.506 0.000 0.000) 3.506 17.084 ( -2.214 0.000 0.000) 2.214 17.084 ( 2.214 0.000 0.000) 2.214 ======================= Grid point 5 (4/60) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.452 ( 0.000 21.400 0.000) 21.400 0.470 ( 0.000 22.316 0.000) 22.316 0.784 ( 0.000 36.197 0.000) 36.197 1.282 ( 0.000 5.643 0.000) 5.643 1.454 ( 0.000 -3.631 0.000) 3.631 1.462 ( 0.000 2.337 0.000) 2.337 1.672 ( 0.000 5.701 0.000) 5.701 1.691 ( 0.000 -4.922 0.000) 4.922 1.800 ( 0.000 0.495 0.000) 0.495 2.096 ( 0.000 -4.860 0.000) 4.860 2.133 ( 0.000 2.710 0.000) 2.710 2.179 ( 0.000 -2.562 0.000) 2.562 2.251 ( 0.000 0.502 0.000) 0.502 2.334 ( 0.000 -2.129 0.000) 2.129 2.481 ( 0.000 -0.014 0.000) 0.014 2.510 ( 0.000 -2.822 0.000) 2.822 2.607 ( 0.000 0.472 0.000) 0.472 2.696 ( 0.000 4.437 0.000) 4.437 2.729 ( 0.000 -1.947 0.000) 1.947 2.769 ( 0.000 -1.963 0.000) 1.963 2.970 ( 0.000 -1.095 0.000) 1.095 3.051 ( 0.000 0.315 0.000) 0.315 3.059 ( 0.000 -4.735 0.000) 4.735 3.134 ( 0.000 -1.001 0.000) 1.001 3.213 ( 0.000 -9.137 0.000) 9.137 3.333 ( 0.000 -0.497 0.000) 0.497 3.401 ( 0.000 -5.429 0.000) 5.429 3.529 ( 0.000 -5.876 0.000) 5.876 3.612 ( 0.000 -4.619 0.000) 4.619 3.830 ( 0.000 -4.196 0.000) 4.196 3.848 ( 0.000 -0.249 0.000) 0.249 3.956 ( 0.000 -2.338 0.000) 2.338 4.060 ( 0.000 -8.680 0.000) 8.680 4.066 ( 0.000 7.787 0.000) 7.787 4.172 ( 0.000 -2.130 0.000) 2.130 4.401 ( 0.000 -0.046 0.000) 0.046 4.480 ( 0.000 -6.338 0.000) 6.338 4.549 ( 0.000 -0.743 0.000) 0.743 4.553 ( 0.000 -0.452 0.000) 0.452 4.575 ( 0.000 8.955 0.000) 8.955 4.678 ( 0.000 0.684 0.000) 0.684 4.793 ( 0.000 6.308 0.000) 6.308 4.820 ( 0.000 -0.746 0.000) 0.746 4.889 ( 0.000 -1.200 0.000) 1.200 4.950 ( 0.000 -1.658 0.000) 1.658 5.052 ( 0.000 1.478 0.000) 1.478 5.053 ( 0.000 4.166 0.000) 4.166 5.091 ( 0.000 -5.269 0.000) 5.269 5.435 ( 0.000 -7.031 0.000) 7.031 5.567 ( 0.000 -3.175 0.000) 3.175 5.574 ( 0.000 0.146 0.000) 0.146 5.752 ( 0.000 -0.210 0.000) 0.210 5.832 ( 0.000 1.823 0.000) 1.823 5.927 ( 0.000 1.746 0.000) 1.746 6.031 ( 0.000 10.438 0.000) 10.438 6.135 ( 0.000 0.616 0.000) 0.616 6.168 ( 0.000 -3.144 0.000) 3.144 6.314 ( 0.000 -3.883 0.000) 3.883 6.326 ( 0.000 0.387 0.000) 0.387 6.442 ( 0.000 -1.643 0.000) 1.643 6.643 ( 0.000 4.026 0.000) 4.026 6.643 ( 0.000 1.760 0.000) 1.760 6.689 ( 0.000 4.031 0.000) 4.031 6.704 ( 0.000 0.399 0.000) 0.399 6.868 ( 0.000 3.376 0.000) 3.376 7.154 ( 0.000 -2.861 0.000) 2.861 7.206 ( 0.000 0.159 0.000) 0.159 7.231 ( 0.000 0.663 0.000) 0.663 7.439 ( 0.000 -2.836 0.000) 2.836 7.467 ( 0.000 2.066 0.000) 2.066 7.510 ( 0.000 2.179 0.000) 2.179 7.511 ( 0.000 -5.087 0.000) 5.087 7.623 ( 0.000 3.931 0.000) 3.931 7.694 ( 0.000 5.143 0.000) 5.143 7.783 ( 0.000 -1.045 0.000) 1.045 7.869 ( 0.000 -2.569 0.000) 2.569 7.916 ( 0.000 2.481 0.000) 2.481 8.130 ( 0.000 -6.047 0.000) 6.047 8.342 ( 0.000 -3.217 0.000) 3.217 8.456 ( 0.000 -3.940 0.000) 3.940 8.643 ( 0.000 2.521 0.000) 2.521 8.788 ( 0.000 4.985 0.000) 4.985 8.949 ( 0.000 3.111 0.000) 3.111 9.229 ( 0.000 -1.062 0.000) 1.062 13.216 ( 0.000 2.214 0.000) 2.214 13.310 ( 0.000 0.680 0.000) 0.680 13.447 ( 0.000 4.721 0.000) 4.721 13.571 ( 0.000 -0.427 0.000) 0.427 13.721 ( 0.000 3.147 0.000) 3.147 13.836 ( 0.000 0.239 0.000) 0.239 13.873 ( 0.000 1.661 0.000) 1.661 14.358 ( 0.000 -4.920 0.000) 4.920 15.562 ( 0.000 -0.844 0.000) 0.844 15.576 ( 0.000 0.102 0.000) 0.102 15.874 ( 0.000 -0.568 0.000) 0.568 15.911 ( 0.000 4.484 0.000) 4.484 16.063 ( 0.000 -0.283 0.000) 0.283 16.110 ( 0.000 3.638 0.000) 3.638 16.139 ( 0.000 1.412 0.000) 1.412 16.222 ( 0.000 -0.883 0.000) 0.883 16.241 ( 0.000 -1.234 0.000) 1.234 16.343 ( 0.000 -2.403 0.000) 2.403 16.506 ( 0.000 0.265 0.000) 0.265 16.608 ( 0.000 1.445 0.000) 1.445 16.617 ( 0.000 0.574 0.000) 0.574 16.657 ( 0.000 -0.991 0.000) 0.991 16.927 ( 0.000 -5.916 0.000) 5.916 17.295 ( 0.000 -2.837 0.000) 2.837 ======================= Grid point 6 (5/60) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.519 ( 11.274 12.437 0.000) 16.786 0.577 ( 10.605 15.538 0.000) 18.812 1.083 ( 6.712 17.990 0.000) 19.201 1.091 ( -1.468 11.051 0.000) 11.148 1.322 ( -13.007 -1.499 0.000) 13.093 1.621 ( 12.839 2.380 0.000) 13.057 1.688 ( 6.146 3.762 0.000) 7.206 1.781 ( 2.012 -0.614 0.000) 2.104 1.852 ( 2.859 0.348 0.000) 2.880 1.984 ( -8.661 3.052 0.000) 9.184 2.078 ( -3.893 -3.954 0.000) 5.549 2.197 ( -1.878 -2.921 0.000) 3.473 2.253 ( -4.064 0.221 0.000) 4.070 2.283 ( 2.230 0.233 0.000) 2.242 2.497 ( -0.093 -3.443 0.000) 3.444 2.554 ( 3.435 -1.795 0.000) 3.875 2.621 ( 0.127 -4.095 0.000) 4.097 2.689 ( -0.699 2.524 0.000) 2.619 2.751 ( 1.671 0.044 0.000) 1.671 2.787 ( 1.778 -2.890 0.000) 3.393 2.911 ( -3.398 1.875 0.000) 3.881 2.977 ( -4.155 -1.006 0.000) 4.275 3.109 ( 2.506 -8.605 0.000) 8.963 3.152 ( 1.443 -1.463 0.000) 2.055 3.278 ( -3.292 -3.897 0.000) 5.101 3.289 ( -0.383 -8.759 0.000) 8.768 3.465 ( 5.936 -4.743 0.000) 7.599 3.561 ( 2.736 -3.061 0.000) 4.106 3.614 ( -0.433 -3.082 0.000) 3.112 3.756 ( -5.033 -0.617 0.000) 5.070 3.876 ( 1.421 -3.625 0.000) 3.894 3.939 ( -2.107 -2.474 0.000) 3.249 4.032 ( 0.816 -5.242 0.000) 5.305 4.146 ( 3.018 1.234 0.000) 3.260 4.184 ( 1.396 -5.279 0.000) 5.460 4.407 ( 0.406 0.274 0.000) 0.490 4.434 ( -3.449 -3.413 0.000) 4.852 4.521 ( -2.464 4.541 0.000) 5.166 4.559 ( -0.126 -0.692 0.000) 0.703 4.615 ( -2.405 2.402 0.000) 3.400 4.617 ( 3.386 3.063 0.000) 4.566 4.767 ( -2.760 5.787 0.000) 6.412 4.816 ( -0.291 2.348 0.000) 2.366 4.852 ( -1.908 3.071 0.000) 3.615 4.942 ( 0.918 0.014 0.000) 0.918 5.005 ( -1.214 2.392 0.000) 2.683 5.043 ( -1.117 -3.143 0.000) 3.335 5.104 ( 0.654 1.237 0.000) 1.400 5.513 ( 1.652 -5.144 0.000) 5.403 5.533 ( 0.859 -0.046 0.000) 0.860 5.628 ( 0.335 0.142 0.000) 0.364 5.676 ( -3.029 -0.629 0.000) 3.093 5.862 ( 0.385 -1.349 0.000) 1.403 5.910 ( -4.760 5.282 0.000) 7.110 5.964 ( 3.894 2.759 0.000) 4.772 6.138 ( -2.062 -2.457 0.000) 3.207 6.263 ( 8.242 0.825 0.000) 8.283 6.351 ( 4.157 -2.341 0.000) 4.771 6.449 ( 1.367 -2.111 0.000) 2.515 6.539 ( 3.535 -5.492 0.000) 6.531 6.627 ( -0.534 4.116 0.000) 4.151 6.640 ( -0.006 0.610 0.000) 0.610 6.695 ( 0.444 3.581 0.000) 3.608 6.718 ( -1.161 -2.186 0.000) 2.476 6.923 ( 6.320 -0.068 0.000) 6.320 7.123 ( -3.061 -2.781 0.000) 4.135 7.191 ( 0.079 0.028 0.000) 0.084 7.264 ( 1.403 0.476 0.000) 1.482 7.307 ( -5.403 1.641 0.000) 5.646 7.421 ( -3.802 1.481 0.000) 4.080 7.533 ( 1.424 2.124 0.000) 2.557 7.567 ( 1.632 -1.779 0.000) 2.414 7.598 ( 0.354 2.912 0.000) 2.933 7.723 ( 3.377 -2.068 0.000) 3.960 7.774 ( -4.343 0.261 0.000) 4.350 7.854 ( -0.438 -1.895 0.000) 1.944 7.987 ( 4.865 -3.757 0.000) 6.147 8.136 ( -0.621 -8.111 0.000) 8.135 8.352 ( 1.350 -1.214 0.000) 1.815 8.442 ( -1.258 -2.563 0.000) 2.855 8.660 ( 1.785 1.442 0.000) 2.295 8.772 ( -1.710 3.007 0.000) 3.459 8.939 ( -0.614 5.924 0.000) 5.956 9.052 ( -8.724 11.842 0.000) 14.709 13.244 ( 2.829 2.195 0.000) 3.581 13.332 ( 1.473 1.278 0.000) 1.950 13.443 ( -1.086 4.006 0.000) 4.150 13.530 ( -3.478 2.803 0.000) 4.467 13.722 ( 0.597 2.617 0.000) 2.684 13.788 ( -2.122 1.317 0.000) 2.498 13.972 ( 6.571 0.522 0.000) 6.592 14.298 ( -6.079 -4.691 0.000) 7.679 15.611 ( 6.169 -3.745 0.000) 7.217 15.719 ( 7.299 -3.161 0.000) 7.954 15.846 ( -2.706 -1.759 0.000) 3.227 15.945 ( 2.833 3.994 0.000) 4.897 16.001 ( -5.174 -0.444 0.000) 5.193 16.086 ( -1.832 3.477 0.000) 3.930 16.140 ( 0.513 0.628 0.000) 0.811 16.211 ( -1.696 -0.643 0.000) 1.814 16.272 ( 2.385 -0.889 0.000) 2.546 16.344 ( -0.190 -1.914 0.000) 1.923 16.483 ( -1.391 2.793 0.000) 3.120 16.523 ( -2.748 2.096 0.000) 3.456 16.640 ( 1.837 0.778 0.000) 1.995 16.710 ( 0.474 -2.618 0.000) 2.661 16.964 ( 3.134 -5.556 0.000) 6.380 17.164 ( -7.378 0.717 0.000) 7.412 ======================= Grid point 7 (6/60) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( -11.197 8.761 0.000) 14.217 0.804 ( 11.197 8.761 0.000) 14.217 0.906 ( -17.461 0.375 0.000) 17.465 0.906 ( 17.461 0.375 0.000) 17.465 1.537 ( -16.708 14.218 0.000) 21.939 1.537 ( 16.708 14.218 0.000) 21.939 1.857 ( -1.009 -0.747 0.000) 1.255 1.857 ( 1.009 -0.747 0.000) 1.255 1.944 ( -2.797 -0.437 0.000) 2.831 1.944 ( 2.797 -0.437 0.000) 2.831 1.968 ( -12.204 1.390 0.000) 12.283 1.968 ( 12.204 1.390 0.000) 12.283 2.299 ( -1.240 0.119 0.000) 1.246 2.299 ( 1.240 0.119 0.000) 1.246 2.522 ( -1.066 -6.952 0.000) 7.034 2.522 ( 1.066 -6.952 0.000) 7.034 2.666 ( -0.799 -0.044 0.000) 0.800 2.666 ( 0.799 -0.044 0.000) 0.800 2.796 ( -0.501 -0.850 0.000) 0.987 2.796 ( 0.501 -0.850 0.000) 0.987 2.895 ( -1.336 0.392 0.000) 1.392 2.895 ( 1.336 0.392 0.000) 1.392 3.157 ( -0.334 -6.333 0.000) 6.341 3.157 ( 0.334 -6.333 0.000) 6.341 3.247 ( -0.154 -5.541 0.000) 5.543 3.247 ( 0.154 -5.541 0.000) 5.543 3.571 ( -3.144 -2.680 0.000) 4.131 3.571 ( 3.144 -2.680 0.000) 4.131 3.648 ( -4.766 -0.692 0.000) 4.815 3.648 ( 4.766 -0.692 0.000) 4.815 3.899 ( -0.431 -3.265 0.000) 3.293 3.899 ( 0.431 -3.265 0.000) 3.293 4.095 ( -3.391 -6.544 0.000) 7.370 4.095 ( 3.391 -6.544 0.000) 7.370 4.300 ( -6.236 -2.433 0.000) 6.694 4.300 ( 6.236 -2.433 0.000) 6.694 4.466 ( -0.945 4.160 0.000) 4.266 4.466 ( 0.945 4.160 0.000) 4.266 4.576 ( -1.561 0.642 0.000) 1.688 4.576 ( 1.561 0.642 0.000) 1.688 4.694 ( -3.544 4.672 0.000) 5.864 4.694 ( 3.544 4.672 0.000) 5.864 4.824 ( -0.759 3.067 0.000) 3.160 4.824 ( 0.759 3.067 0.000) 3.160 4.973 ( -1.306 -0.930 0.000) 1.603 4.973 ( 1.306 -0.930 0.000) 1.603 5.070 ( -2.346 0.879 0.000) 2.505 5.070 ( 2.346 0.879 0.000) 2.505 5.532 ( -1.508 0.667 0.000) 1.649 5.532 ( 1.508 0.667 0.000) 1.649 5.641 ( -0.970 -0.453 0.000) 1.070 5.641 ( 0.970 -0.453 0.000) 1.070 5.860 ( -0.022 -0.074 0.000) 0.078 5.860 ( 0.022 -0.074 0.000) 0.078 6.064 ( -2.002 -0.406 0.000) 2.043 6.064 ( 2.002 -0.406 0.000) 2.043 6.395 ( -1.816 -1.404 0.000) 2.296 6.395 ( 1.816 -1.404 0.000) 2.296 6.505 ( -2.671 -2.601 0.000) 3.728 6.505 ( 2.671 -2.601 0.000) 3.728 6.627 ( -0.274 2.479 0.000) 2.494 6.627 ( 0.274 2.479 0.000) 2.494 6.692 ( -0.054 1.345 0.000) 1.346 6.692 ( 0.054 1.345 0.000) 1.346 7.043 ( -3.799 -2.664 0.000) 4.640 7.043 ( 3.799 -2.664 0.000) 4.640 7.219 ( -0.793 0.502 0.000) 0.938 7.219 ( 0.793 0.502 0.000) 0.938 7.335 ( -1.916 1.114 0.000) 2.216 7.335 ( 1.916 1.114 0.000) 2.216 7.559 ( -0.280 1.389 0.000) 1.417 7.559 ( 0.280 1.389 0.000) 1.417 7.667 ( -4.111 1.266 0.000) 4.302 7.667 ( 4.111 1.266 0.000) 4.302 7.808 ( -2.250 -2.416 0.000) 3.301 7.808 ( 2.250 -2.416 0.000) 3.301 8.082 ( -2.778 -8.524 0.000) 8.965 8.082 ( 2.778 -8.524 0.000) 8.965 8.400 ( -2.496 -0.566 0.000) 2.559 8.400 ( 2.496 -0.566 0.000) 2.559 8.717 ( -2.939 0.528 0.000) 2.986 8.717 ( 2.939 0.528 0.000) 2.986 8.948 ( -1.842 11.001 0.000) 11.154 8.948 ( 1.842 11.001 0.000) 11.154 13.318 ( -2.462 2.071 0.000) 3.217 13.318 ( 2.462 2.071 0.000) 3.217 13.454 ( -2.540 3.674 0.000) 4.467 13.454 ( 2.540 3.674 0.000) 4.467 13.747 ( -1.258 2.110 0.000) 2.457 13.747 ( 1.258 2.110 0.000) 2.457 14.135 ( -8.491 -1.514 0.000) 8.625 14.135 ( 8.491 -1.514 0.000) 8.625 15.753 ( -3.915 -4.534 0.000) 5.990 15.753 ( 3.915 -4.534 0.000) 5.990 15.861 ( -6.173 -1.390 0.000) 6.328 15.861 ( 6.173 -1.390 0.000) 6.328 16.028 ( -1.833 3.845 0.000) 4.259 16.028 ( 1.833 3.845 0.000) 4.259 16.166 ( -0.492 0.012 0.000) 0.492 16.166 ( 0.492 0.012 0.000) 0.492 16.321 ( -0.459 -0.806 0.000) 0.927 16.321 ( 0.459 -0.806 0.000) 0.927 16.484 ( -0.538 1.975 0.000) 2.047 16.484 ( 0.538 1.975 0.000) 2.047 16.686 ( -1.924 -0.244 0.000) 1.940 16.686 ( 1.924 -0.244 0.000) 1.940 17.044 ( -3.189 -3.122 0.000) 4.463 17.044 ( 3.189 -3.122 0.000) 4.463 ======================= Grid point 10 (7/60) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( 0.000 19.405 0.000) 19.405 0.918 ( 0.000 20.543 0.000) 20.543 1.290 ( 0.000 -0.993 0.000) 0.993 1.431 ( 0.000 7.932 0.000) 7.932 1.508 ( 0.000 17.307 0.000) 17.307 1.558 ( 0.000 12.582 0.000) 12.582 1.650 ( 0.000 0.470 0.000) 0.470 1.748 ( 0.000 -0.337 0.000) 0.337 1.847 ( 0.000 4.231 0.000) 4.231 1.980 ( 0.000 -6.161 0.000) 6.161 2.118 ( 0.000 -1.624 0.000) 1.624 2.120 ( 0.000 -4.246 0.000) 4.246 2.263 ( 0.000 0.796 0.000) 0.796 2.275 ( 0.000 -3.985 0.000) 3.985 2.455 ( 0.000 -2.595 0.000) 2.595 2.462 ( 0.000 -1.715 0.000) 1.715 2.592 ( 0.000 -2.481 0.000) 2.481 2.703 ( 0.000 -0.170 0.000) 0.170 2.728 ( 0.000 -1.528 0.000) 1.528 2.750 ( 0.000 1.100 0.000) 1.100 2.904 ( 0.000 -6.365 0.000) 6.365 2.976 ( 0.000 -0.669 0.000) 0.669 3.073 ( 0.000 3.185 0.000) 3.185 3.079 ( 0.000 -4.475 0.000) 4.475 3.116 ( 0.000 -3.037 0.000) 3.037 3.254 ( 0.000 -6.124 0.000) 6.124 3.298 ( 0.000 -3.906 0.000) 3.906 3.381 ( 0.000 -6.625 0.000) 6.625 3.536 ( 0.000 -2.536 0.000) 2.536 3.746 ( 0.000 -3.434 0.000) 3.434 3.761 ( 0.000 -11.224 0.000) 11.224 3.829 ( 0.000 -8.699 0.000) 8.699 3.946 ( 0.000 1.242 0.000) 1.242 4.094 ( 0.000 -2.248 0.000) 2.248 4.215 ( 0.000 2.914 0.000) 2.914 4.333 ( 0.000 -7.425 0.000) 7.425 4.429 ( 0.000 2.440 0.000) 2.440 4.556 ( 0.000 0.397 0.000) 0.397 4.581 ( 0.000 3.331 0.000) 3.331 4.685 ( 0.000 -0.264 0.000) 0.264 4.719 ( 0.000 -6.005 0.000) 6.005 4.747 ( 0.000 6.833 0.000) 6.833 4.800 ( 0.000 -2.550 0.000) 2.550 4.940 ( 0.000 -0.058 0.000) 0.058 4.965 ( 0.000 5.247 0.000) 5.247 5.036 ( 0.000 0.088 0.000) 0.088 5.077 ( 0.000 -0.328 0.000) 0.328 5.090 ( 0.000 -2.883 0.000) 2.883 5.353 ( 0.000 1.265 0.000) 1.265 5.516 ( 0.000 -2.149 0.000) 2.149 5.573 ( 0.000 -0.081 0.000) 0.081 5.773 ( 0.000 1.920 0.000) 1.920 5.779 ( 0.000 -4.166 0.000) 4.166 5.910 ( 0.000 -2.413 0.000) 2.413 6.130 ( 0.000 -1.497 0.000) 1.497 6.159 ( 0.000 0.146 0.000) 0.146 6.228 ( 0.000 6.639 0.000) 6.639 6.321 ( 0.000 -0.427 0.000) 0.427 6.322 ( 0.000 2.532 0.000) 2.532 6.423 ( 0.000 2.407 0.000) 2.407 6.664 ( 0.000 0.148 0.000) 0.148 6.699 ( 0.000 2.656 0.000) 2.656 6.742 ( 0.000 1.889 0.000) 1.889 6.770 ( 0.000 3.237 0.000) 3.237 6.936 ( 0.000 2.470 0.000) 2.470 7.065 ( 0.000 -5.143 0.000) 5.143 7.221 ( 0.000 1.499 0.000) 1.499 7.259 ( 0.000 2.113 0.000) 2.113 7.387 ( 0.000 -2.124 0.000) 2.124 7.397 ( 0.000 -4.282 0.000) 4.282 7.540 ( 0.000 0.219 0.000) 0.219 7.544 ( 0.000 4.217 0.000) 4.217 7.705 ( 0.000 4.167 0.000) 4.167 7.789 ( 0.000 1.557 0.000) 1.557 7.806 ( 0.000 4.291 0.000) 4.291 7.818 ( 0.000 -0.932 0.000) 0.932 7.971 ( 0.000 2.704 0.000) 2.704 7.993 ( 0.000 -5.993 0.000) 5.993 8.335 ( 0.000 0.965 0.000) 0.965 8.362 ( 0.000 -4.863 0.000) 4.863 8.686 ( 0.000 1.330 0.000) 1.330 8.762 ( 0.000 -4.265 0.000) 4.265 9.076 ( 0.000 5.997 0.000) 5.997 9.204 ( 0.000 -1.119 0.000) 1.119 13.273 ( 0.000 2.992 0.000) 2.992 13.336 ( 0.000 1.658 0.000) 1.658 13.556 ( 0.000 5.116 0.000) 5.116 13.575 ( 0.000 0.880 0.000) 0.880 13.793 ( 0.000 3.521 0.000) 3.521 13.844 ( 0.000 0.501 0.000) 0.501 13.920 ( 0.000 2.742 0.000) 2.742 14.234 ( 0.000 -6.380 0.000) 6.380 15.554 ( 0.000 0.224 0.000) 0.224 15.589 ( 0.000 1.457 0.000) 1.457 15.832 ( 0.000 -3.588 0.000) 3.588 16.009 ( 0.000 4.050 0.000) 4.050 16.074 ( 0.000 1.315 0.000) 1.315 16.144 ( 0.000 -3.085 0.000) 3.085 16.172 ( 0.000 1.739 0.000) 1.739 16.205 ( 0.000 -0.526 0.000) 0.526 16.232 ( 0.000 1.957 0.000) 1.957 16.286 ( 0.000 -2.493 0.000) 2.493 16.510 ( 0.000 -0.082 0.000) 0.082 16.600 ( 0.000 -2.003 0.000) 2.003 16.661 ( 0.000 1.158 0.000) 1.158 16.662 ( 0.000 4.060 0.000) 4.060 16.791 ( 0.000 -5.928 0.000) 5.928 17.213 ( 0.000 -5.007 0.000) 5.007 ======================= Grid point 11 (8/60) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( -1.352 18.074 0.000) 18.125 0.935 ( 5.018 17.452 0.000) 18.160 1.170 ( -9.929 0.211 0.000) 9.931 1.295 ( -10.021 8.135 0.000) 12.908 1.586 ( 6.844 10.490 0.000) 12.525 1.719 ( 8.805 4.780 0.000) 10.019 1.742 ( 9.318 7.535 0.000) 11.983 1.798 ( 3.831 1.222 0.000) 4.022 1.895 ( 2.582 3.151 0.000) 4.074 1.958 ( -2.570 -5.086 0.000) 5.698 2.040 ( -4.665 1.594 0.000) 4.930 2.132 ( -2.461 -3.270 0.000) 4.092 2.253 ( 0.208 -0.214 0.000) 0.298 2.265 ( 1.752 -2.355 0.000) 2.935 2.432 ( -2.908 -2.495 0.000) 3.832 2.499 ( -1.590 -3.540 0.000) 3.881 2.573 ( 2.461 -1.198 0.000) 2.737 2.698 ( -1.471 -1.403 0.000) 2.033 2.713 ( 0.832 -2.248 0.000) 2.397 2.787 ( 2.006 1.854 0.000) 2.731 2.894 ( -1.098 -5.472 0.000) 5.581 2.949 ( -2.432 -1.990 0.000) 3.143 2.987 ( -2.116 0.295 0.000) 2.136 3.122 ( -7.120 -8.239 0.000) 10.889 3.126 ( 1.246 -0.847 0.000) 1.507 3.195 ( 1.217 -2.849 0.000) 3.098 3.357 ( 6.749 -4.722 0.000) 8.237 3.474 ( 5.307 -5.223 0.000) 7.446 3.536 ( -0.437 -3.412 0.000) 3.440 3.709 ( -3.774 -6.213 0.000) 7.270 3.788 ( 1.850 -4.885 0.000) 5.224 3.835 ( 0.217 -7.104 0.000) 7.108 3.918 ( -0.558 -1.189 0.000) 1.313 4.084 ( -3.059 -3.180 0.000) 4.413 4.191 ( 0.178 1.029 0.000) 1.045 4.309 ( -2.453 -6.021 0.000) 6.501 4.473 ( 3.823 2.417 0.000) 4.523 4.556 ( -1.547 1.652 0.000) 2.263 4.560 ( 0.057 0.317 0.000) 0.322 4.665 ( -2.525 2.336 0.000) 3.440 4.706 ( 0.579 -0.598 0.000) 0.832 4.765 ( 1.810 0.597 0.000) 1.906 4.800 ( -0.745 -2.515 0.000) 2.623 4.918 ( -2.252 1.399 0.000) 2.651 4.987 ( 0.867 4.023 0.000) 4.115 5.008 ( -1.103 0.914 0.000) 1.433 5.065 ( -0.110 -0.045 0.000) 0.119 5.097 ( 0.212 -1.366 0.000) 1.383 5.439 ( 5.217 -0.406 0.000) 5.233 5.539 ( 4.518 0.368 0.000) 4.533 5.643 ( 3.315 0.374 0.000) 3.336 5.668 ( -6.060 -0.175 0.000) 6.062 5.828 ( 1.406 -0.697 0.000) 1.569 5.948 ( 2.475 -2.047 0.000) 3.211 6.029 ( -7.028 3.654 0.000) 7.921 6.168 ( -2.822 3.393 0.000) 4.413 6.254 ( 3.344 -4.708 0.000) 5.775 6.274 ( 6.055 -0.705 0.000) 6.096 6.382 ( -1.554 -3.465 0.000) 3.797 6.501 ( 3.541 0.914 0.000) 3.657 6.644 ( -2.663 -0.158 0.000) 2.668 6.694 ( -1.761 0.407 0.000) 1.808 6.702 ( 1.272 2.927 0.000) 3.192 6.789 ( -0.395 3.783 0.000) 3.804 6.955 ( 1.500 1.528 0.000) 2.141 7.033 ( -2.434 -4.787 0.000) 5.371 7.204 ( 0.072 1.297 0.000) 1.299 7.293 ( -0.575 1.802 0.000) 1.892 7.323 ( -1.644 0.671 0.000) 1.776 7.400 ( -0.495 -2.843 0.000) 2.886 7.554 ( 1.074 2.802 0.000) 3.000 7.583 ( 2.915 1.925 0.000) 3.493 7.678 ( -1.824 3.950 0.000) 4.351 7.735 ( -1.311 2.113 0.000) 2.487 7.803 ( -0.935 0.410 0.000) 1.021 7.851 ( -0.438 2.192 0.000) 2.235 7.961 ( 0.547 -0.711 0.000) 0.897 8.010 ( 0.278 -2.853 0.000) 2.867 8.351 ( 1.288 -0.008 0.000) 1.288 8.370 ( 0.620 -3.990 0.000) 4.038 8.685 ( 0.086 0.859 0.000) 0.863 8.740 ( -1.840 -3.362 0.000) 3.832 9.083 ( 0.826 5.716 0.000) 5.775 9.169 ( -2.713 1.905 0.000) 3.315 13.301 ( 2.621 3.023 0.000) 4.001 13.373 ( 2.495 2.333 0.000) 3.416 13.512 ( -2.010 2.559 0.000) 3.254 13.592 ( -1.073 2.966 0.000) 3.154 13.784 ( -0.164 2.970 0.000) 2.974 13.816 ( -1.263 1.274 0.000) 1.793 13.993 ( 5.249 1.702 0.000) 5.518 14.206 ( -2.875 -3.851 0.000) 4.806 15.567 ( 2.615 -0.758 0.000) 2.723 15.665 ( 5.733 -1.863 0.000) 6.028 15.781 ( -4.525 -4.135 0.000) 6.130 15.972 ( -6.424 -2.009 0.000) 6.731 16.054 ( 1.837 4.387 0.000) 4.756 16.141 ( -0.686 0.711 0.000) 0.988 16.154 ( -0.381 1.694 0.000) 1.736 16.197 ( -0.564 -0.439 0.000) 0.715 16.269 ( 1.580 0.376 0.000) 1.624 16.297 ( 0.735 -2.365 0.000) 2.477 16.511 ( 0.117 0.510 0.000) 0.523 16.555 ( -2.543 0.312 0.000) 2.562 16.651 ( 1.158 0.817 0.000) 1.418 16.708 ( 0.095 1.806 0.000) 1.809 16.845 ( 5.371 -4.661 0.000) 7.111 17.135 ( -6.414 -3.069 0.000) 7.110 ======================= Grid point 12 (9/60) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( -8.933 7.743 0.000) 11.821 0.945 ( 8.933 7.743 0.000) 11.821 1.088 ( -6.117 13.142 0.000) 14.495 1.088 ( 6.117 13.142 0.000) 14.495 1.743 ( -6.029 0.411 0.000) 6.043 1.743 ( 6.029 0.411 0.000) 6.043 1.887 ( -0.638 3.306 0.000) 3.367 1.887 ( 0.638 3.306 0.000) 3.367 1.927 ( -4.502 1.156 0.000) 4.648 1.927 ( 4.502 1.156 0.000) 4.648 2.002 ( -8.523 2.746 0.000) 8.954 2.002 ( 8.523 2.746 0.000) 8.954 2.321 ( -1.748 1.876 0.000) 2.564 2.321 ( 1.748 1.876 0.000) 2.564 2.385 ( -2.987 -5.286 0.000) 6.071 2.385 ( 2.987 -5.286 0.000) 6.071 2.652 ( -0.915 -1.512 0.000) 1.767 2.652 ( 0.915 -1.512 0.000) 1.767 2.778 ( -3.388 -0.697 0.000) 3.459 2.778 ( 3.388 -0.697 0.000) 3.459 2.887 ( -0.512 -1.372 0.000) 1.465 2.887 ( 0.512 -1.372 0.000) 1.465 3.001 ( -2.534 -6.809 0.000) 7.266 3.001 ( 2.534 -6.809 0.000) 7.266 3.172 ( -0.476 -1.844 0.000) 1.905 3.172 ( 0.476 -1.844 0.000) 1.905 3.494 ( -3.762 -4.335 0.000) 5.739 3.494 ( 3.762 -4.335 0.000) 5.739 3.593 ( -5.966 -4.795 0.000) 7.654 3.593 ( 5.966 -4.795 0.000) 7.654 3.820 ( -0.178 -3.711 0.000) 3.715 3.820 ( 0.178 -3.711 0.000) 3.715 3.977 ( -3.745 -3.792 0.000) 5.330 3.977 ( 3.745 -3.792 0.000) 5.330 4.241 ( -1.964 -3.082 0.000) 3.654 4.241 ( 1.964 -3.082 0.000) 3.654 4.538 ( -0.160 1.288 0.000) 1.298 4.538 ( 0.160 1.288 0.000) 1.298 4.586 ( -3.584 2.073 0.000) 4.141 4.586 ( 3.584 2.073 0.000) 4.141 4.746 ( -1.418 -1.633 0.000) 2.163 4.746 ( 1.418 -1.633 0.000) 2.163 4.844 ( -3.519 0.589 0.000) 3.568 4.844 ( 3.519 0.589 0.000) 3.568 4.997 ( -0.079 2.977 0.000) 2.978 4.997 ( 0.079 2.977 0.000) 2.978 5.086 ( -0.991 -0.190 0.000) 1.009 5.086 ( 0.991 -0.190 0.000) 1.009 5.538 ( -4.720 0.334 0.000) 4.731 5.538 ( 4.720 0.334 0.000) 4.731 5.654 ( -0.995 1.574 0.000) 1.862 5.654 ( 0.995 1.574 0.000) 1.862 5.875 ( -3.042 1.429 0.000) 3.361 5.875 ( 3.042 1.429 0.000) 3.361 6.065 ( -5.347 0.122 0.000) 5.348 6.065 ( 5.347 0.122 0.000) 5.348 6.323 ( -1.660 -4.749 0.000) 5.030 6.323 ( 1.660 -4.749 0.000) 5.030 6.455 ( -5.267 -3.364 0.000) 6.250 6.455 ( 5.267 -3.364 0.000) 6.250 6.636 ( -0.367 0.032 0.000) 0.368 6.636 ( 0.367 0.032 0.000) 0.368 6.755 ( -0.422 3.534 0.000) 3.559 6.755 ( 0.422 3.534 0.000) 3.559 6.987 ( -0.690 -2.028 0.000) 2.142 6.987 ( 0.690 -2.028 0.000) 2.142 7.233 ( -0.701 0.702 0.000) 0.992 7.233 ( 0.701 0.702 0.000) 0.992 7.365 ( -2.808 1.917 0.000) 3.400 7.365 ( 2.808 1.917 0.000) 3.400 7.592 ( -1.620 2.211 0.000) 2.741 7.592 ( 1.620 2.211 0.000) 2.741 7.693 ( -1.700 1.505 0.000) 2.271 7.693 ( 1.700 1.505 0.000) 2.271 7.811 ( -1.671 1.911 0.000) 2.538 7.811 ( 1.671 1.911 0.000) 2.538 7.992 ( -0.756 -1.475 0.000) 1.657 7.992 ( 0.756 -1.475 0.000) 1.657 8.374 ( -0.413 -2.133 0.000) 2.173 8.374 ( 0.413 -2.133 0.000) 2.173 8.700 ( -1.449 -1.065 0.000) 1.798 8.700 ( 1.449 -1.065 0.000) 1.798 9.115 ( -2.136 4.801 0.000) 5.255 9.115 ( 2.136 4.801 0.000) 5.255 13.369 ( -1.976 2.821 0.000) 3.444 13.369 ( 1.976 2.821 0.000) 3.444 13.530 ( -3.514 2.905 0.000) 4.559 13.530 ( 3.514 2.905 0.000) 4.559 13.794 ( -0.191 2.123 0.000) 2.131 13.794 ( 0.191 2.123 0.000) 2.131 14.113 ( -4.936 -0.131 0.000) 4.937 14.113 ( 4.936 -0.131 0.000) 4.937 15.663 ( -4.559 -3.734 0.000) 5.893 15.663 ( 4.559 -3.734 0.000) 5.893 15.811 ( -7.114 -3.562 0.000) 7.956 15.811 ( 7.114 -3.562 0.000) 7.956 16.106 ( -0.580 3.411 0.000) 3.460 16.106 ( 0.580 3.411 0.000) 3.460 16.172 ( -0.262 0.725 0.000) 0.771 16.172 ( 0.262 0.725 0.000) 0.771 16.296 ( -0.834 -1.550 0.000) 1.760 16.296 ( 0.834 -1.550 0.000) 1.760 16.520 ( -0.537 1.147 0.000) 1.266 16.520 ( 0.537 1.147 0.000) 1.266 16.685 ( -1.705 0.368 0.000) 1.744 16.685 ( 1.705 0.368 0.000) 1.744 16.984 ( -4.831 -2.318 0.000) 5.358 16.984 ( 4.831 -2.318 0.000) 5.358 ======================= Grid point 15 (10/60) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( 0.000 13.465 0.000) 13.465 1.292 ( 0.000 5.933 0.000) 5.933 1.300 ( 0.000 15.121 0.000) 15.121 1.567 ( 0.000 3.657 0.000) 3.657 1.614 ( 0.000 2.685 0.000) 2.685 1.683 ( 0.000 -5.197 0.000) 5.197 1.695 ( 0.000 3.463 0.000) 3.463 1.840 ( 0.000 -6.912 0.000) 6.912 1.900 ( 0.000 0.211 0.000) 0.211 1.982 ( 0.000 -4.389 0.000) 4.389 2.000 ( 0.000 12.781 0.000) 12.781 2.151 ( 0.000 3.503 0.000) 3.503 2.176 ( 0.000 -3.401 0.000) 3.401 2.267 ( 0.000 -1.072 0.000) 1.072 2.408 ( 0.000 -0.389 0.000) 0.389 2.439 ( 0.000 -0.622 0.000) 0.622 2.534 ( 0.000 -2.815 0.000) 2.815 2.654 ( 0.000 -5.569 0.000) 5.569 2.718 ( 0.000 1.245 0.000) 1.245 2.796 ( 0.000 2.901 0.000) 2.901 2.871 ( 0.000 1.840 0.000) 1.840 2.935 ( 0.000 -7.001 0.000) 7.001 2.950 ( 0.000 -0.587 0.000) 0.587 3.056 ( 0.000 -2.199 0.000) 2.199 3.094 ( 0.000 -4.154 0.000) 4.154 3.142 ( 0.000 -7.864 0.000) 7.864 3.212 ( 0.000 1.074 0.000) 1.074 3.329 ( 0.000 -0.951 0.000) 0.951 3.505 ( 0.000 -0.751 0.000) 0.751 3.505 ( 0.000 -7.634 0.000) 7.634 3.693 ( 0.000 -1.659 0.000) 1.659 3.721 ( 0.000 -3.561 0.000) 3.561 3.978 ( 0.000 1.652 0.000) 1.652 4.052 ( 0.000 -1.755 0.000) 1.755 4.195 ( 0.000 -4.908 0.000) 4.908 4.222 ( 0.000 -2.076 0.000) 2.076 4.486 ( 0.000 2.902 0.000) 2.902 4.562 ( 0.000 -0.215 0.000) 0.215 4.642 ( 0.000 -0.378 0.000) 0.378 4.643 ( 0.000 1.574 0.000) 1.574 4.675 ( 0.000 -1.092 0.000) 1.092 4.746 ( 0.000 -2.341 0.000) 2.341 4.859 ( 0.000 4.103 0.000) 4.103 4.932 ( 0.000 -0.578 0.000) 0.578 4.974 ( 0.000 -5.297 0.000) 5.297 5.021 ( 0.000 -3.141 0.000) 3.141 5.050 ( 0.000 2.725 0.000) 2.725 5.070 ( 0.000 0.850 0.000) 0.850 5.431 ( 0.000 3.593 0.000) 3.593 5.480 ( 0.000 -1.124 0.000) 1.124 5.583 ( 0.000 1.539 0.000) 1.539 5.704 ( 0.000 -3.070 0.000) 3.070 5.818 ( 0.000 2.145 0.000) 2.145 5.874 ( 0.000 -1.165 0.000) 1.165 6.096 ( 0.000 -0.500 0.000) 0.500 6.150 ( 0.000 -1.069 0.000) 1.069 6.271 ( 0.000 -0.949 0.000) 0.949 6.305 ( 0.000 -2.083 0.000) 2.083 6.384 ( 0.000 4.860 0.000) 4.860 6.497 ( 0.000 0.773 0.000) 0.773 6.678 ( 0.000 2.327 0.000) 2.327 6.755 ( 0.000 0.564 0.000) 0.564 6.771 ( 0.000 2.759 0.000) 2.759 6.822 ( 0.000 1.833 0.000) 1.833 6.958 ( 0.000 -0.178 0.000) 0.178 6.973 ( 0.000 -3.176 0.000) 3.176 7.265 ( 0.000 2.454 0.000) 2.454 7.307 ( 0.000 1.931 0.000) 1.931 7.345 ( 0.000 -0.962 0.000) 0.962 7.354 ( 0.000 -1.120 0.000) 1.120 7.533 ( 0.000 -0.121 0.000) 0.121 7.603 ( 0.000 0.206 0.000) 0.206 7.785 ( 0.000 2.862 0.000) 2.862 7.790 ( 0.000 0.272 0.000) 0.272 7.829 ( 0.000 1.866 0.000) 1.866 7.893 ( 0.000 -2.151 0.000) 2.151 7.926 ( 0.000 4.384 0.000) 4.384 8.026 ( 0.000 2.292 0.000) 2.292 8.268 ( 0.000 -3.507 0.000) 3.507 8.335 ( 0.000 -1.815 0.000) 1.815 8.683 ( 0.000 -2.330 0.000) 2.330 8.694 ( 0.000 -0.508 0.000) 0.508 9.160 ( 0.000 2.257 0.000) 2.257 9.188 ( 0.000 -0.398 0.000) 0.398 13.331 ( 0.000 2.423 0.000) 2.423 13.366 ( 0.000 0.904 0.000) 0.904 13.604 ( 0.000 1.798 0.000) 1.798 13.635 ( 0.000 2.044 0.000) 2.044 13.854 ( 0.000 2.089 0.000) 2.089 13.859 ( 0.000 0.945 0.000) 0.945 13.979 ( 0.000 2.792 0.000) 2.792 14.115 ( 0.000 -4.810 0.000) 4.810 15.577 ( 0.000 2.019 0.000) 2.019 15.648 ( 0.000 4.394 0.000) 4.394 15.739 ( 0.000 -4.731 0.000) 4.731 15.971 ( 0.000 -8.271 0.000) 8.271 16.107 ( 0.000 1.580 0.000) 1.580 16.112 ( 0.000 1.746 0.000) 1.746 16.203 ( 0.000 0.487 0.000) 0.487 16.209 ( 0.000 1.518 0.000) 1.518 16.238 ( 0.000 -1.365 0.000) 1.365 16.267 ( 0.000 -0.310 0.000) 0.310 16.505 ( 0.000 -0.007 0.000) 0.007 16.556 ( 0.000 -2.055 0.000) 2.055 16.683 ( 0.000 0.798 0.000) 0.798 16.708 ( 0.000 -1.504 0.000) 1.504 16.786 ( 0.000 6.918 0.000) 6.918 17.092 ( 0.000 -6.595 0.000) 6.595 ======================= Grid point 16 (11/60) ======================= q-point: ( 0.25 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( -5.405 14.732 0.000) 15.693 1.217 ( -3.562 6.936 0.000) 7.797 1.283 ( 1.403 13.703 0.000) 13.775 1.465 ( -6.104 6.792 0.000) 9.132 1.630 ( -0.429 -2.443 0.000) 2.481 1.690 ( 1.783 -4.428 0.000) 4.773 1.748 ( 0.924 -3.836 0.000) 3.946 1.852 ( -0.165 -5.561 0.000) 5.563 1.875 ( 4.049 1.718 0.000) 4.398 2.030 ( -0.320 -3.151 0.000) 3.167 2.096 ( 4.042 9.077 0.000) 9.936 2.150 ( 0.348 5.468 0.000) 5.479 2.197 ( 2.931 -2.186 0.000) 3.657 2.254 ( 1.189 0.106 0.000) 1.194 2.405 ( -2.336 -0.284 0.000) 2.353 2.440 ( 0.990 -0.399 0.000) 1.068 2.542 ( 1.705 -2.039 0.000) 2.657 2.635 ( -1.283 -3.966 0.000) 4.168 2.736 ( 0.276 2.896 0.000) 2.909 2.793 ( -1.222 -1.810 0.000) 2.184 2.827 ( 0.794 0.825 0.000) 1.145 2.897 ( -1.150 -2.327 0.000) 2.596 2.937 ( -7.334 -7.858 0.000) 10.748 2.997 ( -2.002 -2.851 0.000) 3.484 3.119 ( 1.346 0.039 0.000) 1.347 3.160 ( 2.649 -0.611 0.000) 2.718 3.303 ( 4.771 -0.467 0.000) 4.793 3.372 ( 4.615 -3.957 0.000) 6.079 3.483 ( -1.598 -2.132 0.000) 2.664 3.524 ( 0.316 -6.749 0.000) 6.756 3.720 ( 2.320 -1.925 0.000) 3.014 3.738 ( 1.631 -3.063 0.000) 3.470 3.935 ( -2.885 1.836 0.000) 3.419 4.030 ( -2.815 -2.227 0.000) 3.589 4.187 ( -1.393 -1.684 0.000) 2.186 4.195 ( -0.875 -3.916 0.000) 4.013 4.512 ( 1.998 1.748 0.000) 2.655 4.559 ( -0.373 -0.275 0.000) 0.463 4.607 ( -0.855 2.294 0.000) 2.448 4.647 ( 0.573 -1.083 0.000) 1.225 4.698 ( -0.206 -0.078 0.000) 0.220 4.743 ( -0.994 -2.641 0.000) 2.821 4.819 ( -1.505 1.984 0.000) 2.490 4.905 ( -2.962 -2.187 0.000) 3.682 4.987 ( 2.041 -1.507 0.000) 2.537 5.042 ( 1.793 -2.721 0.000) 3.258 5.063 ( 0.468 2.156 0.000) 2.206 5.080 ( 0.418 1.265 0.000) 1.333 5.487 ( 3.002 3.763 0.000) 4.814 5.551 ( 6.783 0.694 0.000) 6.818 5.643 ( 4.190 -0.287 0.000) 4.200 5.655 ( -3.286 -1.114 0.000) 3.469 5.842 ( 1.836 1.506 0.000) 2.375 5.903 ( 2.930 -1.782 0.000) 3.429 6.096 ( -5.635 3.109 0.000) 6.436 6.164 ( 2.504 -2.209 0.000) 3.339 6.179 ( -0.159 -1.870 0.000) 1.877 6.287 ( -4.293 -4.408 0.000) 6.153 6.328 ( -4.121 3.111 0.000) 5.163 6.488 ( -3.024 -3.207 0.000) 4.408 6.652 ( -1.460 1.822 0.000) 2.335 6.706 ( -2.471 0.256 0.000) 2.485 6.772 ( 1.050 3.286 0.000) 3.449 6.833 ( -0.792 0.407 0.000) 0.890 6.959 ( 0.485 -0.680 0.000) 0.835 6.982 ( 0.206 -0.079 0.000) 0.221 7.238 ( -1.039 1.785 0.000) 2.065 7.299 ( -3.476 -0.843 0.000) 3.576 7.362 ( 2.416 1.870 0.000) 3.055 7.377 ( 3.509 0.988 0.000) 3.645 7.596 ( 4.144 0.533 0.000) 4.178 7.621 ( 1.716 1.552 0.000) 2.314 7.750 ( -3.123 2.399 0.000) 3.938 7.776 ( -3.017 1.685 0.000) 3.456 7.814 ( 1.691 1.144 0.000) 2.042 7.875 ( -1.413 -0.886 0.000) 1.668 7.963 ( 1.923 2.713 0.000) 3.325 8.019 ( -0.656 1.817 0.000) 1.932 8.282 ( 1.218 -3.495 0.000) 3.702 8.332 ( -0.447 -2.592 0.000) 2.630 8.682 ( 0.053 -1.215 0.000) 1.216 8.694 ( -0.114 -0.405 0.000) 0.421 9.159 ( 0.108 1.915 0.000) 1.918 9.184 ( -0.480 0.122 0.000) 0.495 13.362 ( 2.786 2.746 0.000) 3.912 13.413 ( 3.649 1.060 0.000) 3.800 13.556 ( -2.976 2.050 0.000) 3.614 13.629 ( -2.032 0.143 0.000) 2.037 13.833 ( -0.859 1.649 0.000) 1.859 13.840 ( -0.945 1.038 0.000) 1.404 14.042 ( 4.669 2.822 0.000) 5.456 14.144 ( 1.388 -2.243 0.000) 2.638 15.572 ( 0.106 1.121 0.000) 1.126 15.657 ( 1.338 1.397 0.000) 1.934 15.690 ( -4.064 -4.259 0.000) 5.886 15.874 ( -7.195 -6.748 0.000) 9.864 16.126 ( 1.721 2.264 0.000) 2.844 16.151 ( 1.873 0.841 0.000) 2.053 16.189 ( -0.616 1.264 0.000) 1.406 16.210 ( 0.085 1.520 0.000) 1.523 16.252 ( 0.701 -1.856 0.000) 1.984 16.267 ( -0.173 -0.846 0.000) 0.864 16.513 ( 0.684 0.092 0.000) 0.691 16.545 ( -0.766 -0.962 0.000) 1.230 16.679 ( 0.533 1.437 0.000) 1.533 16.726 ( -0.314 -0.784 0.000) 0.845 16.832 ( 4.718 3.799 0.000) 6.057 17.051 ( -3.689 -4.847 0.000) 6.092 ======================= Grid point 17 (12/60) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( -0.649 11.265 0.000) 11.284 1.154 ( 0.649 11.265 0.000) 11.284 1.350 ( -1.583 11.134 0.000) 11.246 1.350 ( 1.583 11.134 0.000) 11.246 1.657 ( -2.613 -6.724 0.000) 7.214 1.657 ( 2.613 -6.724 0.000) 7.214 1.810 ( -1.215 -6.022 0.000) 6.143 1.810 ( 1.215 -6.022 0.000) 6.143 1.984 ( -3.442 1.441 0.000) 3.731 1.984 ( 3.442 1.441 0.000) 3.731 2.127 ( -0.864 6.087 0.000) 6.148 2.127 ( 0.864 6.087 0.000) 6.148 2.276 ( -1.187 -3.378 0.000) 3.580 2.276 ( 1.187 -3.378 0.000) 3.580 2.406 ( -1.240 3.807 0.000) 4.004 2.406 ( 1.240 3.807 0.000) 4.004 2.606 ( -1.688 -2.574 0.000) 3.079 2.606 ( 1.688 -2.574 0.000) 3.079 2.756 ( -1.235 -2.670 0.000) 2.942 2.756 ( 1.235 -2.670 0.000) 2.942 2.831 ( -0.568 -1.404 0.000) 1.515 2.831 ( 0.568 -1.404 0.000) 1.515 2.933 ( -0.979 -1.469 0.000) 1.766 2.933 ( 0.979 -1.469 0.000) 1.766 3.156 ( -0.633 0.214 0.000) 0.668 3.156 ( 0.633 0.214 0.000) 0.668 3.410 ( -3.150 -3.429 0.000) 4.657 3.410 ( 3.150 -3.429 0.000) 4.657 3.486 ( -1.635 -3.921 0.000) 4.248 3.486 ( 1.635 -3.921 0.000) 4.248 3.760 ( -0.057 -1.919 0.000) 1.919 3.760 ( 0.057 -1.919 0.000) 1.919 3.937 ( -1.868 -0.800 0.000) 2.032 3.937 ( 1.868 -0.800 0.000) 2.032 4.179 ( -0.073 -2.475 0.000) 2.476 4.179 ( 0.073 -2.475 0.000) 2.476 4.544 ( -0.357 0.214 0.000) 0.416 4.544 ( 0.357 0.214 0.000) 0.416 4.633 ( -2.305 1.011 0.000) 2.517 4.633 ( 2.305 1.011 0.000) 2.517 4.700 ( -2.058 -0.855 0.000) 2.229 4.700 ( 2.058 -0.855 0.000) 2.229 4.839 ( -1.305 -1.515 0.000) 1.999 4.839 ( 1.305 -1.515 0.000) 1.999 5.041 ( -1.745 0.591 0.000) 1.843 5.041 ( 1.745 0.591 0.000) 1.843 5.077 ( -0.144 0.215 0.000) 0.258 5.077 ( 0.144 0.215 0.000) 0.258 5.555 ( -3.388 1.016 0.000) 3.537 5.555 ( 3.388 1.016 0.000) 3.537 5.688 ( -0.440 1.396 0.000) 1.464 5.688 ( 0.440 1.396 0.000) 1.464 5.912 ( -3.830 1.946 0.000) 4.296 5.912 ( 3.830 1.946 0.000) 4.296 6.059 ( -7.051 -0.742 0.000) 7.090 6.059 ( 7.051 -0.742 0.000) 7.090 6.242 ( -2.754 -2.258 0.000) 3.562 6.242 ( 2.754 -2.258 0.000) 3.562 6.350 ( -4.882 -5.669 0.000) 7.481 6.350 ( 4.882 -5.669 0.000) 7.481 6.661 ( -0.241 1.694 0.000) 1.711 6.661 ( 0.241 1.694 0.000) 1.711 6.805 ( -0.205 1.118 0.000) 1.136 6.805 ( 0.205 1.118 0.000) 1.136 6.973 ( -0.169 0.439 0.000) 0.471 6.973 ( 0.169 0.439 0.000) 0.471 7.242 ( -0.362 0.139 0.000) 0.388 7.242 ( 0.362 0.139 0.000) 0.388 7.413 ( -0.201 2.368 0.000) 2.377 7.413 ( 0.201 2.368 0.000) 2.377 7.645 ( -0.908 2.378 0.000) 2.546 7.645 ( 0.908 2.378 0.000) 2.546 7.723 ( -0.501 1.043 0.000) 1.157 7.723 ( 0.501 1.043 0.000) 1.157 7.845 ( -0.927 1.005 0.000) 1.367 7.845 ( 0.927 1.005 0.000) 1.367 7.997 ( -1.161 1.563 0.000) 1.947 7.997 ( 1.161 1.563 0.000) 1.947 8.312 ( -0.952 -3.494 0.000) 3.621 8.312 ( 0.952 -3.494 0.000) 3.621 8.688 ( -0.288 -0.162 0.000) 0.331 8.688 ( 0.288 -0.162 0.000) 0.331 9.169 ( -0.771 1.083 0.000) 1.330 9.169 ( 0.771 1.083 0.000) 1.330 13.431 ( -1.547 3.045 0.000) 3.416 13.431 ( 1.547 3.045 0.000) 3.416 13.557 ( -3.063 -0.336 0.000) 3.082 13.557 ( 3.063 -0.336 0.000) 3.082 13.829 ( -0.003 1.226 0.000) 1.226 13.829 ( 0.003 1.226 0.000) 1.226 14.131 ( -1.039 1.389 0.000) 1.735 14.131 ( 1.039 1.389 0.000) 1.735 15.605 ( -1.799 -1.838 0.000) 2.572 15.605 ( 1.799 -1.838 0.000) 2.572 15.729 ( -4.117 -3.706 0.000) 5.539 15.729 ( 4.117 -3.706 0.000) 5.539 16.156 ( -0.069 1.502 0.000) 1.504 16.156 ( 0.069 1.502 0.000) 1.504 16.202 ( -0.177 1.768 0.000) 1.777 16.202 ( 0.177 1.768 0.000) 1.777 16.261 ( -0.024 -1.663 0.000) 1.663 16.261 ( 0.024 -1.663 0.000) 1.663 16.529 ( -0.152 -0.026 0.000) 0.154 16.529 ( 0.152 -0.026 0.000) 0.154 16.702 ( -0.696 1.099 0.000) 1.301 16.702 ( 0.696 1.099 0.000) 1.301 16.949 ( -2.712 -1.151 0.000) 2.946 16.949 ( 2.712 -1.151 0.000) 2.946 ======================= Grid point 20 (13/60) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( 0.000 -6.256 0.000) 6.256 1.410 ( 0.000 6.256 0.000) 6.256 1.512 ( 0.000 -7.787 0.000) 7.787 1.512 ( 0.000 7.787 0.000) 7.787 1.658 ( 0.000 -0.103 0.000) 0.103 1.658 ( 0.000 0.103 0.000) 0.103 1.720 ( 0.000 -0.543 0.000) 0.543 1.720 ( 0.000 0.543 0.000) 0.543 1.883 ( 0.000 -0.061 0.000) 0.061 1.883 ( 0.000 0.061 0.000) 0.061 2.182 ( 0.000 -2.147 0.000) 2.147 2.182 ( 0.000 2.147 0.000) 2.147 2.206 ( 0.000 -4.240 0.000) 4.240 2.206 ( 0.000 4.240 0.000) 4.240 2.435 ( 0.000 -0.403 0.000) 0.403 2.435 ( 0.000 0.403 0.000) 0.403 2.519 ( 0.000 -4.408 0.000) 4.408 2.519 ( 0.000 4.408 0.000) 4.408 2.778 ( 0.000 -4.906 0.000) 4.906 2.778 ( 0.000 4.906 0.000) 4.906 2.890 ( 0.000 -5.518 0.000) 5.518 2.890 ( 0.000 5.518 0.000) 5.518 2.986 ( 0.000 -5.661 0.000) 5.661 2.986 ( 0.000 5.661 0.000) 5.661 3.036 ( 0.000 -0.825 0.000) 0.825 3.036 ( 0.000 0.825 0.000) 0.825 3.264 ( 0.000 -3.593 0.000) 3.593 3.264 ( 0.000 3.593 0.000) 3.593 3.485 ( 0.000 -1.588 0.000) 1.588 3.485 ( 0.000 1.588 0.000) 1.588 3.678 ( 0.000 -0.457 0.000) 0.457 3.678 ( 0.000 0.457 0.000) 0.457 4.016 ( 0.000 -1.893 0.000) 1.893 4.016 ( 0.000 1.893 0.000) 1.893 4.163 ( 0.000 -1.910 0.000) 1.910 4.163 ( 0.000 1.910 0.000) 1.910 4.539 ( 0.000 -1.927 0.000) 1.927 4.539 ( 0.000 1.927 0.000) 1.927 4.654 ( 0.000 -0.552 0.000) 0.552 4.654 ( 0.000 0.552 0.000) 0.552 4.684 ( 0.000 -3.446 0.000) 3.446 4.684 ( 0.000 3.446 0.000) 3.446 4.922 ( 0.000 -0.393 0.000) 0.393 4.922 ( 0.000 0.393 0.000) 0.393 4.942 ( 0.000 -3.474 0.000) 3.474 4.942 ( 0.000 3.474 0.000) 3.474 5.080 ( 0.000 -0.292 0.000) 0.292 5.080 ( 0.000 0.292 0.000) 0.292 5.467 ( 0.000 -0.515 0.000) 0.515 5.467 ( 0.000 0.515 0.000) 0.515 5.640 ( 0.000 -3.252 0.000) 3.252 5.640 ( 0.000 3.252 0.000) 3.252 5.852 ( 0.000 -1.151 0.000) 1.151 5.852 ( 0.000 1.151 0.000) 1.151 6.115 ( 0.000 -1.902 0.000) 1.902 6.115 ( 0.000 1.902 0.000) 1.902 6.269 ( 0.000 -1.018 0.000) 1.018 6.269 ( 0.000 1.018 0.000) 1.018 6.463 ( 0.000 -2.918 0.000) 2.918 6.463 ( 0.000 2.918 0.000) 2.918 6.734 ( 0.000 -2.118 0.000) 2.118 6.734 ( 0.000 2.118 0.000) 2.118 6.828 ( 0.000 -1.687 0.000) 1.687 6.828 ( 0.000 1.687 0.000) 1.687 6.946 ( 0.000 -0.373 0.000) 0.373 6.946 ( 0.000 0.373 0.000) 0.373 7.310 ( 0.000 -1.558 0.000) 1.558 7.310 ( 0.000 1.558 0.000) 1.558 7.342 ( 0.000 -0.237 0.000) 0.237 7.342 ( 0.000 0.237 0.000) 0.237 7.561 ( 0.000 -2.748 0.000) 2.748 7.561 ( 0.000 2.748 0.000) 2.748 7.810 ( 0.000 -0.411 0.000) 0.411 7.810 ( 0.000 0.411 0.000) 0.411 7.856 ( 0.000 -1.071 0.000) 1.071 7.856 ( 0.000 1.071 0.000) 1.071 8.021 ( 0.000 -3.331 0.000) 3.331 8.021 ( 0.000 3.331 0.000) 3.331 8.266 ( 0.000 -3.356 0.000) 3.356 8.266 ( 0.000 3.356 0.000) 3.356 8.675 ( 0.000 -0.911 0.000) 0.911 8.675 ( 0.000 0.911 0.000) 0.911 9.183 ( 0.000 -0.337 0.000) 0.337 9.183 ( 0.000 0.337 0.000) 0.337 13.367 ( 0.000 -0.886 0.000) 0.886 13.367 ( 0.000 0.886 0.000) 0.886 13.639 ( 0.000 -1.216 0.000) 1.216 13.639 ( 0.000 1.216 0.000) 1.216 13.874 ( 0.000 -0.139 0.000) 0.139 13.874 ( 0.000 0.139 0.000) 0.139 14.037 ( 0.000 -2.965 0.000) 2.965 14.037 ( 0.000 2.965 0.000) 2.965 15.639 ( 0.000 -3.881 0.000) 3.881 15.639 ( 0.000 3.881 0.000) 3.881 15.789 ( 0.000 -8.142 0.000) 8.142 15.789 ( 0.000 8.142 0.000) 8.142 16.130 ( 0.000 -0.350 0.000) 0.350 16.130 ( 0.000 0.350 0.000) 0.350 16.216 ( 0.000 -0.750 0.000) 0.750 16.216 ( 0.000 0.750 0.000) 0.750 16.242 ( 0.000 -1.650 0.000) 1.650 16.242 ( 0.000 1.650 0.000) 1.650 16.520 ( 0.000 -1.356 0.000) 1.356 16.520 ( 0.000 1.356 0.000) 1.356 16.693 ( 0.000 -0.301 0.000) 0.301 16.693 ( 0.000 0.301 0.000) 0.301 16.943 ( 0.000 -7.627 0.000) 7.627 16.943 ( 0.000 7.627 0.000) 7.627 ======================= Grid point 22 (14/60) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( -3.175 -3.729 0.000) 4.898 1.365 ( -3.175 3.729 0.000) 4.898 1.501 ( -1.206 -4.428 0.000) 4.589 1.501 ( -1.206 4.428 0.000) 4.589 1.591 ( -3.538 -3.096 0.000) 4.702 1.591 ( -3.538 3.096 0.000) 4.702 1.720 ( -0.482 -2.512 0.000) 2.558 1.720 ( -0.482 2.512 0.000) 2.558 1.951 ( 4.264 -4.215 0.000) 5.996 1.951 ( 4.264 4.215 0.000) 5.996 2.175 ( 1.142 -1.748 0.000) 2.088 2.175 ( 1.142 1.748 0.000) 2.088 2.240 ( 0.539 -1.120 0.000) 1.243 2.240 ( 0.539 1.120 0.000) 1.243 2.444 ( 0.726 -1.138 0.000) 1.349 2.444 ( 0.726 1.138 0.000) 1.349 2.533 ( 1.666 -3.697 0.000) 4.055 2.533 ( 1.666 3.697 0.000) 4.055 2.787 ( -1.944 -0.631 0.000) 2.044 2.787 ( -1.944 0.631 0.000) 2.044 2.837 ( -3.801 -1.484 0.000) 4.080 2.837 ( -3.801 1.484 0.000) 4.080 2.899 ( 0.180 -4.385 0.000) 4.388 2.899 ( 0.180 4.385 0.000) 4.388 3.143 ( 2.883 -0.695 0.000) 2.966 3.143 ( 2.883 0.695 0.000) 2.966 3.313 ( 4.218 -0.603 0.000) 4.261 3.313 ( 4.218 0.603 0.000) 4.261 3.466 ( -1.325 -0.433 0.000) 1.394 3.466 ( -1.325 0.433 0.000) 1.394 3.702 ( 2.119 -0.019 0.000) 2.119 3.702 ( 2.119 0.019 0.000) 2.119 3.982 ( -3.098 -1.467 0.000) 3.428 3.982 ( -3.098 1.467 0.000) 3.428 4.156 ( -0.376 -0.190 0.000) 0.421 4.156 ( -0.376 0.190 0.000) 0.421 4.544 ( 0.331 -0.808 0.000) 0.873 4.544 ( 0.331 0.808 0.000) 0.873 4.647 ( -0.740 -1.071 0.000) 1.302 4.647 ( -0.740 1.071 0.000) 1.302 4.691 ( 0.690 -1.161 0.000) 1.351 4.691 ( 0.690 1.161 0.000) 1.351 4.857 ( -3.572 -0.939 0.000) 3.694 4.857 ( -3.572 0.939 0.000) 3.694 4.989 ( 3.183 -0.876 0.000) 3.301 4.989 ( 3.183 0.876 0.000) 3.301 5.092 ( 0.248 -0.294 0.000) 0.385 5.092 ( 0.248 0.294 0.000) 0.385 5.549 ( 4.473 -1.450 0.000) 4.702 5.549 ( 4.473 1.450 0.000) 4.702 5.637 ( 1.652 -0.018 0.000) 1.652 5.637 ( 1.652 0.018 0.000) 1.652 5.873 ( 2.119 -0.872 0.000) 2.291 5.873 ( 2.119 0.872 0.000) 2.291 6.143 ( 2.434 -0.557 0.000) 2.497 6.143 ( 2.434 0.557 0.000) 2.497 6.186 ( -6.652 -4.229 0.000) 7.883 6.186 ( -6.652 4.229 0.000) 7.883 6.406 ( -5.896 -3.436 0.000) 6.825 6.406 ( -5.896 3.436 0.000) 6.825 6.693 ( -1.784 -0.558 0.000) 1.869 6.693 ( -1.784 0.558 0.000) 1.869 6.820 ( -0.462 -0.347 0.000) 0.578 6.820 ( -0.462 0.347 0.000) 0.578 6.970 ( 1.213 -0.573 0.000) 1.341 6.970 ( 1.213 0.573 0.000) 1.341 7.273 ( -2.528 -0.975 0.000) 2.710 7.273 ( -2.528 0.975 0.000) 2.710 7.390 ( 3.693 -0.164 0.000) 3.696 7.390 ( 3.693 0.164 0.000) 3.696 7.615 ( 3.942 -1.080 0.000) 4.087 7.615 ( 3.942 1.080 0.000) 4.087 7.785 ( -3.036 -0.255 0.000) 3.046 7.785 ( -3.036 0.255 0.000) 3.046 7.847 ( 0.316 -1.529 0.000) 1.562 7.847 ( 0.316 1.529 0.000) 1.562 8.026 ( 0.081 -1.554 0.000) 1.556 8.026 ( 0.081 1.554 0.000) 1.556 8.265 ( -0.050 -2.174 0.000) 2.175 8.265 ( -0.050 2.174 0.000) 2.175 8.681 ( 0.485 -0.691 0.000) 0.844 8.681 ( 0.485 0.691 0.000) 0.844 9.181 ( -0.191 -0.478 0.000) 0.515 9.181 ( -0.191 0.478 0.000) 0.515 13.408 ( 3.528 -0.756 0.000) 3.608 13.408 ( 3.528 0.756 0.000) 3.608 13.602 ( -3.216 -1.105 0.000) 3.400 13.602 ( -3.216 1.105 0.000) 3.400 13.851 ( -1.021 -0.004 0.000) 1.021 13.851 ( -1.021 0.004 0.000) 1.021 14.099 ( 4.046 -1.421 0.000) 4.288 14.099 ( 4.046 1.421 0.000) 4.288 15.612 ( -1.950 -2.465 0.000) 3.143 15.612 ( -1.950 2.465 0.000) 3.143 15.735 ( -3.823 -5.582 0.000) 6.765 15.735 ( -3.823 5.582 0.000) 6.765 16.155 ( 1.639 -0.085 0.000) 1.641 16.155 ( 1.639 0.085 0.000) 1.641 16.217 ( 0.193 -0.244 0.000) 0.311 16.217 ( 0.193 0.244 0.000) 0.311 16.241 ( -0.065 -0.697 0.000) 0.700 16.241 ( -0.065 0.697 0.000) 0.700 16.524 ( 0.296 -0.372 0.000) 0.475 16.524 ( 0.296 0.372 0.000) 0.475 16.705 ( 0.866 -0.760 0.000) 1.152 16.705 ( 0.866 0.760 0.000) 1.152 16.940 ( -0.225 -4.737 0.000) 4.742 16.940 ( -0.225 4.737 0.000) 4.742 ======================= Grid point 24 (15/60) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( 0.000 0.000 0.000) 0.000 1.325 ( 0.000 0.000 0.000) 0.000 1.481 ( 0.000 0.000 0.000) 0.000 1.481 ( 0.000 0.000 0.000) 0.000 1.551 ( 0.000 0.000 0.000) 0.000 1.551 ( 0.000 0.000 0.000) 0.000 1.714 ( 0.000 0.000 0.000) 0.000 1.714 ( 0.000 0.000 0.000) 0.000 2.003 ( 0.000 0.000 0.000) 0.000 2.003 ( 0.000 0.000 0.000) 0.000 2.207 ( 0.000 0.000 0.000) 0.000 2.207 ( 0.000 0.000 0.000) 0.000 2.224 ( 0.000 0.000 0.000) 0.000 2.224 ( 0.000 0.000 0.000) 0.000 2.455 ( 0.000 0.000 0.000) 0.000 2.455 ( 0.000 0.000 0.000) 0.000 2.572 ( 0.000 0.000 0.000) 0.000 2.572 ( 0.000 0.000 0.000) 0.000 2.703 ( 0.000 0.000 0.000) 0.000 2.703 ( 0.000 0.000 0.000) 0.000 2.849 ( 0.000 0.000 0.000) 0.000 2.849 ( 0.000 0.000 0.000) 0.000 2.898 ( 0.000 0.000 0.000) 0.000 2.898 ( 0.000 0.000 0.000) 0.000 3.165 ( 0.000 0.000 0.000) 0.000 3.165 ( 0.000 0.000 0.000) 0.000 3.370 ( 0.000 0.000 0.000) 0.000 3.370 ( 0.000 0.000 0.000) 0.000 3.450 ( 0.000 0.000 0.000) 0.000 3.450 ( 0.000 0.000 0.000) 0.000 3.741 ( 0.000 0.000 0.000) 0.000 3.741 ( 0.000 0.000 0.000) 0.000 3.928 ( 0.000 0.000 0.000) 0.000 3.928 ( 0.000 0.000 0.000) 0.000 4.153 ( 0.000 0.000 0.000) 0.000 4.153 ( 0.000 0.000 0.000) 0.000 4.548 ( 0.000 0.000 0.000) 0.000 4.548 ( 0.000 0.000 0.000) 0.000 4.634 ( 0.000 0.000 0.000) 0.000 4.634 ( 0.000 0.000 0.000) 0.000 4.707 ( 0.000 0.000 0.000) 0.000 4.707 ( 0.000 0.000 0.000) 0.000 4.811 ( -0.000 0.000 0.000) 0.000 4.811 ( -0.000 0.000 0.000) 0.000 5.041 ( 0.000 0.000 0.000) 0.000 5.041 ( 0.000 0.000 0.000) 0.000 5.085 ( 0.000 0.000 0.000) 0.000 5.085 ( 0.000 0.000 0.000) 0.000 5.567 ( 0.000 0.000 0.000) 0.000 5.567 ( 0.000 0.000 0.000) 0.000 5.704 ( 0.000 0.000 0.000) 0.000 5.704 ( 0.000 0.000 0.000) 0.000 5.939 ( 0.000 0.000 0.000) 0.000 5.939 ( 0.000 0.000 0.000) 0.000 6.044 ( 0.000 0.000 0.000) 0.000 6.044 ( 0.000 0.000 0.000) 0.000 6.239 ( -0.000 0.000 0.000) 0.000 6.239 ( -0.000 0.000 0.000) 0.000 6.266 ( 0.000 0.000 0.000) 0.000 6.266 ( 0.000 0.000 0.000) 0.000 6.681 ( 0.000 0.000 0.000) 0.000 6.681 ( 0.000 0.000 0.000) 0.000 6.813 ( 0.000 0.000 0.000) 0.000 6.813 ( 0.000 0.000 0.000) 0.000 6.982 ( 0.000 0.000 0.000) 0.000 6.982 ( 0.000 0.000 0.000) 0.000 7.242 ( 0.000 0.000 0.000) 0.000 7.242 ( 0.000 0.000 0.000) 0.000 7.442 ( 0.000 0.000 0.000) 0.000 7.442 ( 0.000 0.000 0.000) 0.000 7.674 ( 0.000 0.000 0.000) 0.000 7.674 ( 0.000 0.000 0.000) 0.000 7.732 ( 0.000 0.000 0.000) 0.000 7.732 ( 0.000 0.000 0.000) 0.000 7.854 ( 0.000 0.000 0.000) 0.000 7.854 ( 0.000 0.000 0.000) 0.000 8.024 ( 0.000 0.000 0.000) 0.000 8.024 ( 0.000 0.000 0.000) 0.000 8.264 ( 0.000 0.000 0.000) 0.000 8.264 ( 0.000 0.000 0.000) 0.000 8.688 ( 0.000 0.000 0.000) 0.000 8.688 ( 0.000 0.000 0.000) 0.000 9.178 ( 0.000 0.000 0.000) 0.000 9.178 ( 0.000 0.000 0.000) 0.000 13.474 ( 0.000 0.000 0.000) 0.000 13.474 ( 0.000 0.000 0.000) 0.000 13.540 ( 0.000 0.000 0.000) 0.000 13.540 ( 0.000 0.000 0.000) 0.000 13.843 ( 0.000 0.000 0.000) 0.000 13.843 ( 0.000 0.000 0.000) 0.000 14.149 ( 0.000 0.000 0.000) 0.000 14.149 ( 0.000 0.000 0.000) 0.000 15.587 ( 0.000 0.000 0.000) 0.000 15.587 ( 0.000 0.000 0.000) 0.000 15.685 ( 0.000 0.000 0.000) 0.000 15.685 ( 0.000 0.000 0.000) 0.000 16.174 ( 0.000 0.000 0.000) 0.000 16.174 ( 0.000 0.000 0.000) 0.000 16.221 ( 0.000 0.000 0.000) 0.000 16.221 ( 0.000 0.000 0.000) 0.000 16.240 ( 0.000 0.000 0.000) 0.000 16.240 ( 0.000 0.000 0.000) 0.000 16.528 ( 0.000 0.000 0.000) 0.000 16.528 ( 0.000 0.000 0.000) 0.000 16.716 ( 0.000 0.000 0.000) 0.000 16.716 ( 0.000 0.000 0.000) 0.000 16.937 ( 0.000 0.000 0.000) 0.000 16.937 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 45 (16/60) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.341 ( 0.000 0.000 16.642) 16.642 0.445 ( 0.000 0.000 21.542) 21.542 0.826 ( 0.000 0.000 38.818) 38.818 1.376 ( 0.000 0.000 12.059) 12.059 1.401 ( 0.000 0.000 -5.319) 5.319 1.525 ( 0.000 0.000 3.364) 3.364 1.623 ( 0.000 0.000 1.943) 1.943 1.739 ( 0.000 0.000 -5.318) 5.318 1.792 ( 0.000 0.000 0.609) 0.609 2.099 ( 0.000 0.000 2.286) 2.286 2.188 ( 0.000 0.000 2.097) 2.097 2.207 ( 0.000 0.000 0.687) 0.687 2.270 ( 0.000 0.000 1.529) 1.529 2.348 ( 0.000 0.000 -0.746) 0.746 2.522 ( 0.000 0.000 3.381) 3.381 2.568 ( 0.000 0.000 -1.972) 1.972 2.591 ( 0.000 0.000 -0.673) 0.673 2.592 ( 0.000 0.000 -0.364) 0.364 2.681 ( 0.000 0.000 -3.626) 3.626 2.693 ( 0.000 0.000 -7.652) 7.652 2.913 ( 0.000 0.000 -0.109) 0.109 2.966 ( 0.000 0.000 -5.816) 5.816 3.048 ( 0.000 0.000 -4.882) 4.882 3.136 ( 0.000 0.000 -1.168) 1.168 3.353 ( 0.000 0.000 0.137) 0.137 3.386 ( 0.000 0.000 -0.623) 0.623 3.491 ( 0.000 0.000 6.041) 6.041 3.716 ( 0.000 0.000 2.927) 2.927 3.781 ( 0.000 0.000 2.988) 2.988 3.850 ( 0.000 0.000 0.200) 0.200 3.924 ( 0.000 0.000 -0.732) 0.732 3.931 ( 0.000 0.000 4.228) 4.228 4.082 ( 0.000 0.000 8.026) 8.026 4.113 ( 0.000 0.000 -3.128) 3.128 4.300 ( 0.000 0.000 7.538) 7.538 4.327 ( 0.000 0.000 -2.684) 2.684 4.423 ( 0.000 0.000 -2.602) 2.602 4.486 ( 0.000 0.000 0.432) 0.432 4.565 ( 0.000 0.000 -0.920) 0.920 4.634 ( 0.000 0.000 2.106) 2.106 4.668 ( 0.000 0.000 1.699) 1.699 4.681 ( 0.000 0.000 4.031) 4.031 4.685 ( 0.000 0.000 0.750) 0.750 4.854 ( 0.000 0.000 1.760) 1.760 4.970 ( 0.000 0.000 4.585) 4.585 4.979 ( 0.000 0.000 -0.339) 0.339 5.088 ( 0.000 0.000 1.856) 1.856 5.170 ( 0.000 0.000 0.230) 0.230 5.549 ( 0.000 0.000 -0.402) 0.402 5.586 ( 0.000 0.000 2.018) 2.018 5.626 ( 0.000 0.000 -3.800) 3.800 5.690 ( 0.000 0.000 -0.537) 0.537 5.752 ( 0.000 0.000 -2.956) 2.956 5.856 ( 0.000 0.000 0.486) 0.486 6.053 ( 0.000 0.000 -2.648) 2.648 6.171 ( 0.000 0.000 -5.948) 5.948 6.241 ( 0.000 0.000 0.086) 0.086 6.387 ( 0.000 0.000 0.073) 0.073 6.425 ( 0.000 0.000 -0.559) 0.559 6.444 ( 0.000 0.000 -0.650) 0.650 6.643 ( 0.000 0.000 1.497) 1.497 6.647 ( 0.000 0.000 0.461) 0.461 6.665 ( 0.000 0.000 3.350) 3.350 6.764 ( 0.000 0.000 -0.148) 0.148 7.146 ( 0.000 0.000 -3.613) 3.613 7.154 ( 0.000 0.000 -2.460) 2.460 7.184 ( 0.000 0.000 1.792) 1.792 7.214 ( 0.000 0.000 0.439) 0.439 7.271 ( 0.000 0.000 3.544) 3.544 7.437 ( 0.000 0.000 -0.611) 0.611 7.491 ( 0.000 0.000 -0.017) 0.017 7.571 ( 0.000 0.000 -2.628) 2.628 7.631 ( 0.000 0.000 2.440) 2.440 7.719 ( 0.000 0.000 -1.532) 1.532 7.828 ( 0.000 0.000 -1.358) 1.358 7.861 ( 0.000 0.000 -3.836) 3.836 8.088 ( 0.000 0.000 1.348) 1.348 8.172 ( 0.000 0.000 -1.302) 1.302 8.222 ( 0.000 0.000 -2.517) 2.517 8.429 ( 0.000 0.000 -3.310) 3.310 8.628 ( 0.000 0.000 -0.008) 0.008 8.688 ( 0.000 0.000 -1.000) 1.000 8.890 ( 0.000 0.000 -0.075) 0.075 8.930 ( 0.000 0.000 -1.030) 1.030 13.206 ( 0.000 0.000 0.647) 0.647 13.299 ( 0.000 0.000 -0.729) 0.729 13.396 ( 0.000 0.000 0.631) 0.631 13.520 ( 0.000 0.000 -0.803) 0.803 13.723 ( 0.000 0.000 3.255) 3.255 13.820 ( 0.000 0.000 -1.199) 1.199 13.825 ( 0.000 0.000 -2.210) 2.210 14.343 ( 0.000 0.000 -6.529) 6.529 15.560 ( 0.000 0.000 -1.152) 1.152 15.573 ( 0.000 0.000 -0.459) 0.459 15.756 ( 0.000 0.000 -1.285) 1.285 15.847 ( 0.000 0.000 -1.110) 1.110 15.903 ( 0.000 0.000 1.113) 1.113 15.948 ( 0.000 0.000 -7.192) 7.192 16.055 ( 0.000 0.000 -1.155) 1.155 16.105 ( 0.000 0.000 -9.769) 9.769 16.407 ( 0.000 0.000 5.692) 5.692 16.440 ( 0.000 0.000 3.334) 3.334 16.565 ( 0.000 0.000 3.017) 3.017 16.604 ( 0.000 0.000 0.241) 0.241 16.636 ( 0.000 0.000 6.279) 6.279 16.895 ( 0.000 0.000 6.780) 6.780 17.050 ( 0.000 0.000 4.451) 4.451 17.392 ( 0.000 0.000 -4.175) 4.175 ======================= Grid point 46 (17/60) ======================= q-point: ( 0.25 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.649 ( 16.051 0.000 14.078) 21.350 0.670 ( 17.033 0.000 13.831) 21.941 0.986 ( 16.761 0.000 27.787) 32.451 1.192 ( -11.060 0.000 13.698) 17.606 1.402 ( -12.917 0.000 3.772) 13.457 1.565 ( 11.325 0.000 -4.398) 12.150 1.671 ( 4.673 0.000 4.233) 6.305 1.760 ( 2.088 0.000 -4.918) 5.342 1.856 ( 1.165 0.000 -2.357) 2.629 1.949 ( -8.777 0.000 3.628) 9.497 2.150 ( -4.736 0.000 2.285) 5.258 2.219 ( -8.783 0.000 -0.229) 8.786 2.294 ( 1.966 0.000 0.393) 2.004 2.295 ( 2.358 0.000 3.124) 3.914 2.527 ( 1.464 0.000 -1.293) 1.953 2.595 ( 0.357 0.000 -2.602) 2.626 2.617 ( 2.735 0.000 0.469) 2.775 2.658 ( -1.043 0.000 -4.766) 4.879 2.697 ( 5.881 0.000 -2.681) 6.463 2.737 ( 2.592 0.000 -4.821) 5.474 2.880 ( -2.596 0.000 -0.288) 2.612 2.905 ( -3.939 0.000 -5.450) 6.725 3.072 ( 0.758 0.000 -9.882) 9.911 3.129 ( -0.940 0.000 -2.690) 2.849 3.377 ( 2.439 0.000 1.632) 2.935 3.472 ( -1.698 0.000 6.018) 6.253 3.476 ( 5.834 0.000 -2.096) 6.199 3.665 ( -2.999 0.000 3.007) 4.247 3.718 ( -3.497 0.000 5.817) 6.787 3.786 ( -5.689 0.000 0.680) 5.730 3.955 ( 1.344 0.000 1.889) 2.318 3.959 ( 0.967 0.000 3.011) 3.163 4.089 ( 2.569 0.000 2.616) 3.667 4.128 ( 2.548 0.000 -1.825) 3.135 4.334 ( 1.599 0.000 4.821) 5.079 4.387 ( 1.386 0.000 -2.837) 3.158 4.425 ( 0.380 0.000 -0.841) 0.923 4.460 ( -1.619 0.000 0.307) 1.648 4.575 ( 0.346 0.000 0.560) 0.659 4.590 ( -3.017 0.000 2.075) 3.662 4.626 ( -1.824 0.000 1.444) 2.326 4.668 ( -0.388 0.000 0.727) 0.824 4.731 ( 2.062 0.000 0.942) 2.267 4.834 ( -1.973 0.000 1.596) 2.538 4.969 ( 0.414 0.000 4.484) 4.503 4.991 ( 0.714 0.000 0.431) 0.834 5.079 ( -0.022 0.000 2.932) 2.932 5.142 ( -2.395 0.000 0.270) 2.410 5.508 ( -2.295 0.000 -0.346) 2.321 5.580 ( 0.802 0.000 -3.533) 3.623 5.620 ( -3.293 0.000 1.178) 3.497 5.689 ( -0.462 0.000 0.911) 1.021 5.787 ( 1.964 0.000 -4.153) 4.594 5.788 ( -0.633 0.000 -2.869) 2.938 6.108 ( -2.170 0.000 2.491) 3.304 6.144 ( 1.789 0.000 -2.713) 3.250 6.275 ( 5.323 0.000 1.148) 5.445 6.359 ( 2.635 0.000 0.141) 2.639 6.486 ( 3.748 0.000 -0.516) 3.784 6.511 ( 1.032 0.000 -2.345) 2.563 6.590 ( -2.423 0.000 0.960) 2.607 6.668 ( 0.187 0.000 2.489) 2.496 6.689 ( 1.581 0.000 1.616) 2.261 6.785 ( -2.189 0.000 1.664) 2.749 6.991 ( -1.731 0.000 -1.612) 2.366 7.126 ( -3.992 0.000 -0.358) 4.008 7.232 ( 1.079 0.000 3.189) 3.367 7.292 ( 1.804 0.000 -0.971) 2.049 7.298 ( 2.082 0.000 2.481) 3.239 7.399 ( -1.871 0.000 -1.172) 2.208 7.483 ( -1.516 0.000 1.427) 2.082 7.557 ( -1.825 0.000 -2.579) 3.160 7.570 ( 0.674 0.000 1.871) 1.989 7.696 ( -2.147 0.000 -2.161) 3.046 7.834 ( -1.362 0.000 -2.518) 2.863 7.856 ( -0.156 0.000 -1.616) 1.623 8.187 ( 1.878 0.000 -1.692) 2.527 8.199 ( 5.079 0.000 -6.559) 8.295 8.286 ( 4.304 0.000 -3.157) 5.338 8.411 ( -1.599 0.000 -3.492) 3.841 8.634 ( 0.532 0.000 0.392) 0.661 8.718 ( 2.891 0.000 -0.928) 3.037 8.752 ( -7.260 0.000 5.873) 9.338 8.893 ( -3.420 0.000 -1.080) 3.587 13.228 ( 2.363 0.000 0.674) 2.457 13.330 ( 2.687 0.000 -0.838) 2.815 13.366 ( -2.661 0.000 0.564) 2.720 13.484 ( -3.192 0.000 -0.768) 3.283 13.700 ( -0.369 0.000 1.936) 1.971 13.758 ( -2.475 0.000 -0.877) 2.625 13.933 ( 6.675 0.000 -3.040) 7.334 14.276 ( -6.867 0.000 -7.090) 9.870 15.629 ( 6.504 0.000 -3.543) 7.406 15.764 ( 0.605 0.000 -1.862) 1.958 15.774 ( 9.159 0.000 -8.586) 12.554 15.874 ( 1.879 0.000 -2.195) 2.890 15.901 ( 0.380 0.000 -0.458) 0.595 15.924 ( -1.903 0.000 -5.318) 5.648 16.037 ( -1.474 0.000 -1.276) 1.949 16.083 ( -2.125 0.000 -9.119) 9.363 16.410 ( 0.700 0.000 5.794) 5.836 16.463 ( 1.798 0.000 3.046) 3.537 16.513 ( -3.649 0.000 4.735) 5.978 16.563 ( -2.785 0.000 2.528) 3.761 16.677 ( 3.094 0.000 5.891) 6.654 16.843 ( -4.010 0.000 6.741) 7.844 17.091 ( 3.041 0.000 4.546) 5.469 17.265 ( -6.637 0.000 4.629) 8.092 ======================= Grid point 47 (18/60) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( -4.997 0.000 14.803) 15.623 0.923 ( 4.997 0.000 14.803) 15.623 1.057 ( -11.666 0.000 11.351) 16.277 1.057 ( 11.666 0.000 11.351) 16.277 1.451 ( -20.273 0.000 11.029) 23.078 1.451 ( 20.273 0.000 11.029) 23.078 1.804 ( -0.142 0.000 -5.782) 5.784 1.804 ( 0.142 0.000 -5.782) 5.784 1.897 ( -8.552 0.000 -4.430) 9.632 1.897 ( 8.552 0.000 -4.430) 9.632 2.026 ( -1.800 0.000 6.113) 6.372 2.026 ( 1.800 0.000 6.113) 6.372 2.330 ( -0.001 0.000 1.512) 1.512 2.330 ( 0.001 0.000 1.512) 1.512 2.581 ( -1.106 0.000 -3.161) 3.349 2.581 ( 1.106 0.000 -3.161) 3.349 2.640 ( -0.057 0.000 -1.500) 1.501 2.640 ( 0.057 0.000 -1.500) 1.501 2.776 ( -0.021 0.000 -4.167) 4.167 2.776 ( 0.021 0.000 -4.167) 4.167 2.844 ( -0.201 0.000 -1.655) 1.667 2.844 ( 0.201 0.000 -1.655) 1.667 3.094 ( -1.828 0.000 -7.468) 7.689 3.094 ( 1.828 0.000 -7.468) 7.689 3.431 ( -0.716 0.000 4.436) 4.493 3.431 ( 0.716 0.000 4.436) 4.493 3.595 ( -4.160 0.000 0.110) 4.161 3.595 ( 4.160 0.000 0.110) 4.161 3.686 ( -0.432 0.000 3.920) 3.944 3.686 ( 0.432 0.000 3.920) 3.944 3.965 ( -0.000 0.000 3.331) 3.331 3.965 ( 0.000 0.000 3.331) 3.331 4.160 ( -1.042 0.000 -2.413) 2.629 4.160 ( 1.042 0.000 -2.413) 2.629 4.352 ( -1.308 0.000 1.266) 1.820 4.352 ( 1.308 0.000 1.266) 1.820 4.444 ( -0.123 0.000 2.416) 2.419 4.444 ( 0.123 0.000 2.416) 2.419 4.557 ( -0.033 0.000 1.914) 1.915 4.557 ( 0.033 0.000 1.914) 1.915 4.644 ( -1.782 0.000 -1.052) 2.069 4.644 ( 1.782 0.000 -1.052) 2.069 4.780 ( -1.909 0.000 0.791) 2.066 4.780 ( 1.909 0.000 0.791) 2.066 4.989 ( -0.270 0.000 2.720) 2.734 4.989 ( 0.270 0.000 2.720) 2.734 5.095 ( -1.153 0.000 1.479) 1.876 5.095 ( 1.153 0.000 1.479) 1.876 5.518 ( -2.824 0.000 -0.854) 2.950 5.518 ( 2.824 0.000 -0.854) 2.950 5.640 ( -2.124 0.000 0.375) 2.157 5.640 ( 2.124 0.000 0.375) 2.157 5.810 ( -0.037 0.000 -4.643) 4.644 5.810 ( 0.037 0.000 -4.643) 4.644 6.116 ( -0.606 0.000 1.297) 1.432 6.116 ( 0.606 0.000 1.297) 1.432 6.389 ( -2.147 0.000 -0.878) 2.319 6.389 ( 2.147 0.000 -0.878) 2.319 6.515 ( -0.307 0.000 -1.891) 1.915 6.515 ( 0.307 0.000 -1.891) 1.915 6.625 ( -2.311 0.000 3.409) 4.119 6.625 ( 2.311 0.000 3.409) 4.119 6.712 ( -0.253 0.000 2.589) 2.602 6.712 ( 0.253 0.000 2.589) 2.602 7.039 ( -4.009 0.000 -2.276) 4.610 7.039 ( 4.009 0.000 -2.276) 4.610 7.266 ( -1.496 0.000 3.732) 4.021 7.266 ( 1.496 0.000 3.732) 4.021 7.350 ( -1.569 0.000 1.565) 2.216 7.350 ( 1.569 0.000 1.565) 2.216 7.502 ( -2.273 0.000 -2.655) 3.495 7.502 ( 2.273 0.000 -2.655) 3.495 7.629 ( -3.042 0.000 -1.492) 3.389 7.629 ( 3.042 0.000 -1.492) 3.389 7.836 ( -0.430 0.000 -1.225) 1.298 7.836 ( 0.430 0.000 -1.225) 1.298 8.230 ( -0.309 0.000 -4.085) 4.097 8.230 ( 0.309 0.000 -4.085) 4.097 8.365 ( -2.113 0.000 -3.814) 4.361 8.365 ( 2.113 0.000 -3.814) 4.361 8.658 ( -1.514 0.000 2.936) 3.304 8.658 ( 1.514 0.000 2.936) 3.304 8.802 ( -4.495 0.000 -1.049) 4.616 8.802 ( 4.495 0.000 -1.049) 4.616 13.296 ( -3.217 0.000 0.478) 3.253 13.296 ( 3.217 0.000 0.478) 3.253 13.404 ( -3.892 0.000 -0.768) 3.967 13.404 ( 3.892 0.000 -0.768) 3.967 13.715 ( -1.501 0.000 0.012) 1.501 13.715 ( 1.501 0.000 0.012) 1.501 14.099 ( -8.831 0.000 -4.960) 10.129 14.099 ( 8.831 0.000 -4.960) 10.129 15.752 ( -1.899 0.000 -5.392) 5.716 15.752 ( 1.899 0.000 -5.392) 5.716 15.854 ( -1.534 0.000 -1.352) 2.045 15.854 ( 1.534 0.000 -1.352) 2.045 15.930 ( -0.024 0.000 -4.247) 4.247 15.930 ( 0.024 0.000 -4.247) 4.247 16.028 ( -1.964 0.000 -5.677) 6.007 16.028 ( 1.964 0.000 -5.677) 6.007 16.444 ( -1.947 0.000 5.740) 6.061 16.444 ( 1.947 0.000 5.740) 6.061 16.507 ( -1.820 0.000 2.719) 3.272 16.507 ( 1.820 0.000 2.719) 3.272 16.754 ( -4.041 0.000 6.488) 7.644 16.754 ( 4.041 0.000 6.488) 7.644 17.162 ( -3.443 0.000 4.933) 6.016 17.162 ( 3.443 0.000 4.933) 6.016 ======================= Grid point 50 (19/60) ======================= q-point: ( 0.00 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.577 ( 0.000 17.841 9.396) 20.164 0.624 ( 0.000 14.918 14.142) 20.556 1.123 ( 0.000 23.391 26.462) 35.318 1.406 ( 0.000 2.907 9.337) 9.779 1.420 ( 0.000 0.909 -2.443) 2.607 1.461 ( 0.000 -3.599 0.029) 3.599 1.682 ( 0.000 3.361 0.015) 3.361 1.754 ( 0.000 2.934 -2.692) 3.982 1.785 ( 0.000 0.116 7.493) 7.494 2.089 ( 0.000 -5.931 -0.787) 5.983 2.122 ( 0.000 0.786 -1.074) 1.331 2.237 ( 0.000 -0.741 3.388) 3.468 2.251 ( 0.000 -0.793 0.156) 0.808 2.330 ( 0.000 -1.674 0.117) 1.679 2.486 ( 0.000 -4.720 -2.940) 5.561 2.510 ( 0.000 -0.798 2.638) 2.756 2.587 ( 0.000 -0.370 -1.602) 1.644 2.662 ( 0.000 3.686 -2.128) 4.256 2.708 ( 0.000 1.106 -4.324) 4.464 2.708 ( 0.000 0.660 -2.014) 2.120 2.907 ( 0.000 0.405 -2.649) 2.680 2.989 ( 0.000 1.190 -4.467) 4.623 3.015 ( 0.000 -3.676 -4.044) 5.466 3.107 ( 0.000 -2.672 -2.508) 3.665 3.258 ( 0.000 -8.414 2.905) 8.901 3.344 ( 0.000 -0.934 -0.090) 0.939 3.435 ( 0.000 -5.929 3.341) 6.806 3.633 ( 0.000 -9.637 5.273) 10.985 3.634 ( 0.000 -4.898 2.117) 5.336 3.856 ( 0.000 -2.393 1.648) 2.905 3.882 ( 0.000 -2.700 4.384) 5.149 3.993 ( 0.000 -5.859 1.433) 6.032 4.069 ( 0.000 7.832 0.043) 7.833 4.076 ( 0.000 -2.917 3.076) 4.239 4.223 ( 0.000 -4.407 5.210) 6.824 4.373 ( 0.000 2.896 -1.108) 3.100 4.430 ( 0.000 -4.131 -7.426) 8.498 4.556 ( 0.000 1.057 1.338) 1.705 4.559 ( 0.000 2.681 1.067) 2.885 4.612 ( 0.000 1.359 1.440) 1.980 4.618 ( 0.000 2.919 2.767) 4.022 4.799 ( 0.000 4.626 0.258) 4.633 4.807 ( 0.000 4.374 -2.745) 5.164 4.890 ( 0.000 -0.088 0.304) 0.316 4.928 ( 0.000 -0.155 3.981) 3.984 5.054 ( 0.000 3.660 0.755) 3.737 5.055 ( 0.000 -4.639 0.388) 4.655 5.111 ( 0.000 -0.333 2.005) 2.032 5.446 ( 0.000 -6.490 1.121) 6.587 5.561 ( 0.000 -1.864 -1.614) 2.466 5.601 ( 0.000 0.118 1.956) 1.959 5.707 ( 0.000 -0.121 -3.936) 3.937 5.784 ( 0.000 1.529 -4.450) 4.706 6.034 ( 0.000 10.586 0.486) 10.597 6.037 ( 0.000 -2.621 0.745) 2.725 6.146 ( 0.000 0.453 0.005) 0.453 6.222 ( 0.000 -0.335 -1.149) 1.197 6.318 ( 0.000 -4.106 0.272) 4.115 6.349 ( 0.000 -5.581 4.032) 6.886 6.441 ( 0.000 -1.447 -0.460) 1.519 6.628 ( 0.000 1.120 -0.253) 1.149 6.641 ( 0.000 0.849 0.135) 0.860 6.732 ( 0.000 4.407 3.835) 5.842 6.809 ( 0.000 1.504 4.915) 5.140 6.899 ( 0.000 -3.387 3.793) 5.085 7.134 ( 0.000 -1.853 -1.767) 2.561 7.222 ( 0.000 0.494 1.401) 1.486 7.245 ( 0.000 0.643 1.264) 1.418 7.388 ( 0.000 2.887 -3.463) 4.509 7.444 ( 0.000 0.370 -1.478) 1.524 7.507 ( 0.000 2.054 0.615) 2.144 7.530 ( 0.000 -2.900 0.801) 3.009 7.666 ( 0.000 -1.422 0.994) 1.734 7.680 ( 0.000 3.964 -1.089) 4.111 7.832 ( 0.000 -3.184 4.321) 5.367 7.840 ( 0.000 -1.697 -2.931) 3.386 7.902 ( 0.000 -0.065 -0.817) 0.819 8.101 ( 0.000 -6.558 -2.200) 6.917 8.334 ( 0.000 -2.930 -1.045) 3.111 8.374 ( 0.000 0.698 -6.582) 6.619 8.663 ( 0.000 0.922 1.208) 1.520 8.761 ( 0.000 4.651 -2.355) 5.213 8.940 ( 0.000 2.811 -0.845) 2.935 9.067 ( 0.000 6.492 -9.151) 11.219 13.229 ( 0.000 2.203 0.981) 2.411 13.309 ( 0.000 1.089 -0.070) 1.091 13.444 ( 0.000 4.078 -0.278) 4.088 13.529 ( 0.000 0.611 -1.900) 1.996 13.734 ( 0.000 1.573 1.410) 2.112 13.825 ( 0.000 0.466 -0.953) 1.061 13.857 ( 0.000 2.356 -1.544) 2.817 14.292 ( 0.000 -4.538 -6.164) 7.654 15.553 ( 0.000 -0.399 -0.692) 0.798 15.571 ( 0.000 0.068 -0.446) 0.451 15.850 ( 0.000 3.042 -8.667) 9.185 15.879 ( 0.000 0.107 0.203) 0.230 15.886 ( 0.000 3.242 -2.228) 3.934 16.028 ( 0.000 5.157 -5.487) 7.530 16.039 ( 0.000 -1.452 -7.190) 7.336 16.158 ( 0.000 4.484 -3.293) 5.563 16.386 ( 0.000 -1.613 6.695) 6.886 16.421 ( 0.000 -1.635 3.856) 4.188 16.567 ( 0.000 0.148 3.551) 3.554 16.618 ( 0.000 1.212 0.216) 1.231 16.647 ( 0.000 1.181 5.445) 5.572 16.801 ( 0.000 -6.104 8.989) 10.865 16.981 ( 0.000 -6.137 4.453) 7.583 17.326 ( 0.000 -4.421 -0.397) 4.439 ======================= Grid point 51 (20/60) ======================= q-point: ( 0.25 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( 11.418 6.205 11.470) 17.333 0.824 ( 10.125 11.047 15.280) 21.402 1.223 ( -5.137 7.338 11.712) 14.745 1.282 ( 3.341 12.494 17.014) 21.372 1.359 ( -7.153 1.161 4.795) 8.690 1.583 ( 12.462 2.727 -3.933) 13.350 1.721 ( 2.823 2.765 1.065) 4.093 1.759 ( 3.566 1.211 -2.416) 4.474 1.871 ( 2.343 1.296 2.770) 3.852 1.981 ( -8.405 1.697 -0.191) 8.577 2.127 ( -1.789 -2.004 2.426) 3.620 2.197 ( -4.288 -1.940 1.340) 4.893 2.267 ( -1.641 -0.974 0.274) 1.928 2.302 ( 2.652 -0.977 2.102) 3.522 2.454 ( -1.759 -4.749 -3.727) 6.288 2.560 ( 1.562 -1.525 0.145) 2.188 2.595 ( 0.109 -4.520 -2.944) 5.395 2.660 ( 0.531 2.942 -1.466) 3.330 2.719 ( 0.723 0.794 -2.462) 2.686 2.745 ( 2.582 -0.393 -2.985) 3.966 2.881 ( -1.319 0.962 -1.681) 2.344 2.920 ( -3.664 0.050 -4.371) 5.704 3.039 ( 0.989 -3.080 -6.052) 6.863 3.105 ( -0.839 -1.829 -2.686) 3.356 3.294 ( -0.670 -6.828 2.816) 7.417 3.364 ( 2.897 -6.239 2.577) 7.345 3.465 ( 3.161 -3.924 0.751) 5.094 3.608 ( -0.627 -5.239 4.177) 6.730 3.642 ( -0.259 -4.572 1.584) 4.845 3.776 ( -5.306 -1.179 1.977) 5.783 3.912 ( 1.638 -2.807 4.123) 5.250 3.990 ( -1.225 -3.069 2.419) 4.095 4.029 ( -0.189 -2.548 1.513) 2.969 4.124 ( 1.219 -0.961 -1.850) 2.415 4.243 ( 1.975 -3.846 4.920) 6.549 4.378 ( 0.360 -0.412 -1.253) 1.368 4.439 ( -0.558 -0.932 -2.270) 2.516 4.539 ( -0.538 3.014 -0.319) 3.078 4.549 ( -0.903 0.608 2.805) 3.009 4.613 ( -0.011 1.298 1.489) 1.976 4.631 ( 1.420 3.516 0.806) 3.877 4.770 ( -2.638 5.756 -0.398) 6.344 4.808 ( 0.499 4.229 -1.115) 4.402 4.867 ( -1.404 0.975 1.489) 2.267 4.945 ( 0.989 -1.005 2.423) 2.804 5.015 ( -1.383 0.805 1.594) 2.259 5.055 ( -0.833 -3.396 0.590) 3.546 5.110 ( -0.357 0.559 1.321) 1.478 5.504 ( -0.128 -2.868 -0.669) 2.948 5.532 ( 4.648 -0.758 0.419) 4.728 5.618 ( -4.649 1.703 -2.138) 5.393 5.683 ( 2.090 -0.542 1.501) 2.630 5.810 ( 1.117 0.065 -4.877) 5.003 5.885 ( -6.627 5.940 -1.485) 9.023 6.048 ( -0.335 -1.218 2.769) 3.043 6.175 ( -1.816 -1.091 1.350) 2.512 6.258 ( 7.240 0.126 -0.163) 7.243 6.351 ( 4.074 -0.867 0.355) 4.181 6.424 ( 1.934 -2.417 -2.484) 3.969 6.511 ( 3.519 -4.258 -1.302) 5.675 6.574 ( -3.607 -0.032 -1.213) 3.805 6.659 ( 0.490 1.009 0.616) 1.280 6.739 ( 0.258 3.053 3.281) 4.489 6.817 ( -1.481 1.742 5.484) 5.941 6.937 ( 5.024 -1.086 1.319) 5.307 7.121 ( -2.082 -1.832 -0.296) 2.789 7.205 ( 0.003 -0.095 1.306) 1.310 7.273 ( 1.564 -0.081 1.943) 2.496 7.348 ( -3.092 0.917 1.534) 3.571 7.437 ( -1.228 3.239 -0.680) 3.530 7.500 ( -0.325 -1.185 0.124) 1.235 7.533 ( 0.749 1.061 -1.917) 2.316 7.608 ( -1.830 2.266 -0.163) 2.917 7.704 ( 0.819 -1.620 -1.745) 2.518 7.750 ( -2.782 -1.399 -2.079) 3.744 7.868 ( -0.948 -0.596 0.715) 1.329 7.978 ( 4.721 -4.939 -0.364) 6.842 8.108 ( -0.177 -7.717 -2.127) 8.007 8.339 ( 0.847 -1.425 -1.654) 2.342 8.379 ( 0.174 -0.419 -5.460) 5.479 8.677 ( 1.358 0.598 1.302) 1.974 8.752 ( -0.947 3.040 -1.560) 3.546 8.923 ( -1.196 5.149 -1.357) 5.457 8.984 ( -5.089 9.927 -4.901) 12.184 13.252 ( 2.403 2.222 0.766) 3.362 13.332 ( 1.678 1.425 -0.017) 2.202 13.435 ( -1.249 4.099 -0.801) 4.359 13.501 ( -2.547 1.669 -1.919) 3.599 13.725 ( -0.210 2.143 1.098) 2.417 13.778 ( -2.098 1.629 -0.670) 2.739 13.943 ( 5.781 0.962 -2.660) 6.436 14.232 ( -5.511 -3.557 -5.924) 8.838 15.593 ( 4.954 -2.112 -1.268) 5.533 15.692 ( 7.042 -2.760 -2.572) 7.989 15.832 ( -2.364 -1.969 -5.971) 6.717 15.862 ( -0.862 2.111 -2.216) 3.180 15.912 ( 1.571 2.808 -3.159) 4.509 16.010 ( -1.139 3.364 -4.697) 5.889 16.040 ( 0.109 0.770 -6.501) 6.547 16.129 ( -2.268 4.199 -3.439) 5.882 16.399 ( 1.180 -0.731 6.497) 6.644 16.436 ( 1.066 -1.954 4.296) 4.838 16.532 ( -2.219 1.145 3.100) 3.981 16.575 ( -3.089 1.001 2.357) 4.013 16.684 ( 2.800 0.566 5.427) 6.132 16.790 ( -1.297 -3.602 7.031) 8.006 17.020 ( 3.231 -6.129 4.451) 8.235 17.233 ( -6.442 -2.736 3.026) 7.625 ======================= Grid point 52 (21/60) ======================= q-point: (-0.50 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( -0.000 2.005 9.510) 9.719 0.948 ( 0.000 -1.455 8.163) 8.292 1.060 ( 0.000 2.018 15.423) 15.555 1.065 ( -0.000 7.825 15.343) 17.223 1.596 ( -0.000 12.038 6.270) 13.573 1.639 ( 0.000 12.237 9.334) 15.390 1.796 ( 0.000 0.381 -5.215) 5.229 1.807 ( -0.000 -0.540 -4.239) 4.273 1.902 ( -0.000 -0.050 -3.078) 3.079 1.911 ( 0.000 1.948 -4.677) 5.066 2.018 ( 0.000 0.906 5.359) 5.435 2.075 ( 0.000 2.844 7.710) 8.218 2.302 ( 0.000 -1.629 0.299) 1.656 2.342 ( 0.000 -0.163 2.183) 2.189 2.441 ( 0.000 -7.992 -4.431) 9.138 2.541 ( 0.000 -7.424 -0.786) 7.465 2.603 ( 0.000 -2.181 -3.905) 4.473 2.667 ( 0.000 2.124 -0.734) 2.247 2.724 ( 0.000 1.725 -3.208) 3.643 2.806 ( 0.000 -1.881 -4.628) 4.996 2.833 ( 0.000 -1.679 -1.742) 2.419 2.898 ( 0.000 3.413 -0.221) 3.420 3.055 ( -0.000 -3.333 -5.555) 6.478 3.080 ( 0.000 -0.920 -5.541) 5.617 3.278 ( 0.000 -9.608 4.411) 10.572 3.386 ( 0.000 -5.960 5.317) 7.987 3.543 ( 0.000 -3.566 -1.990) 4.084 3.581 ( 0.000 -3.513 2.183) 4.136 3.658 ( -0.000 -0.894 0.031) 0.894 3.690 ( 0.000 -1.535 4.013) 4.297 3.940 ( 0.000 -1.897 5.000) 5.347 3.954 ( 0.000 -1.965 3.865) 4.336 4.066 ( 0.000 -6.019 -1.864) 6.301 4.098 ( 0.000 -5.804 -0.782) 5.857 4.318 ( -0.000 -3.531 1.949) 4.033 4.331 ( 0.000 -1.582 1.127) 1.942 4.443 ( 0.000 2.754 0.614) 2.822 4.515 ( 0.000 3.938 2.057) 4.442 4.576 ( -0.000 1.822 0.065) 1.823 4.577 ( 0.000 -1.005 0.855) 1.320 4.685 ( 0.000 3.603 -1.272) 3.820 4.713 ( 0.000 6.349 1.338) 6.488 4.825 ( 0.000 4.284 0.110) 4.286 4.842 ( 0.000 2.223 0.931) 2.410 4.961 ( 0.000 -0.428 0.537) 0.687 4.991 ( 0.000 -3.911 2.041) 4.411 5.062 ( 0.000 0.173 0.613) 0.637 5.091 ( 0.000 0.108 1.731) 1.735 5.522 ( 0.000 -0.401 -1.494) 1.547 5.525 ( -0.000 1.122 -0.996) 1.500 5.648 ( 0.000 0.879 2.229) 2.396 5.670 ( -0.000 2.319 1.859) 2.972 5.801 ( 0.000 0.623 -3.340) 3.397 5.831 ( 0.000 0.393 -4.744) 4.760 6.054 ( 0.000 -1.030 0.847) 1.333 6.147 ( 0.000 -1.063 2.692) 2.895 6.382 ( -0.000 -3.033 -0.586) 3.089 6.390 ( 0.000 0.091 -1.610) 1.613 6.468 ( 0.000 -0.518 -1.983) 2.049 6.501 ( -0.000 -1.387 -1.947) 2.391 6.536 ( 0.000 -3.886 -0.421) 3.909 6.666 ( 0.000 -0.463 -0.265) 0.533 6.731 ( 0.000 2.405 3.627) 4.352 6.791 ( 0.000 4.934 6.068) 7.820 7.044 ( -0.000 -0.185 1.220) 1.234 7.047 ( 0.000 -0.366 -0.800) 0.880 7.225 ( 0.000 -1.968 2.833) 3.449 7.273 ( 0.000 0.276 2.500) 2.515 7.326 ( 0.000 0.248 1.126) 1.153 7.403 ( 0.000 2.470 3.222) 4.060 7.506 ( 0.000 0.141 -2.202) 2.207 7.545 ( 0.000 2.316 -3.225) 3.971 7.610 ( 0.000 0.285 -3.928) 3.938 7.658 ( 0.000 0.746 -1.065) 1.301 7.772 ( 0.000 -3.155 -1.977) 3.723 7.838 ( 0.000 -0.278 0.997) 1.035 8.046 ( 0.000 -7.674 -1.509) 7.820 8.085 ( 0.000 -7.979 -0.888) 8.028 8.367 ( -0.000 -1.251 -3.926) 4.120 8.368 ( 0.000 -0.206 -2.816) 2.823 8.709 ( 0.000 0.854 -0.031) 0.854 8.726 ( 0.000 0.295 0.733) 0.790 8.912 ( 0.000 9.831 -2.793) 10.220 8.921 ( -0.000 9.167 -2.639) 9.540 13.306 ( 0.000 1.772 -0.053) 1.773 13.338 ( 0.000 2.541 0.987) 2.726 13.431 ( -0.000 3.036 -1.421) 3.352 13.445 ( 0.000 3.064 -1.457) 3.393 13.736 ( -0.000 1.857 0.234) 1.872 13.744 ( 0.000 2.371 -0.357) 2.398 14.082 ( 0.000 -1.364 -4.802) 4.992 14.091 ( -0.000 -0.484 -3.962) 3.991 15.691 ( 0.000 -3.151 -3.375) 4.617 15.757 ( 0.000 -2.913 -3.570) 4.608 15.816 ( 0.000 -0.524 -0.675) 0.854 15.823 ( -0.000 -2.796 -4.072) 4.939 15.936 ( 0.000 1.865 -5.649) 5.949 15.988 ( 0.000 2.265 -4.078) 4.665 16.053 ( 0.000 1.570 -4.810) 5.060 16.091 ( -0.000 5.385 -4.059) 6.744 16.422 ( -0.000 -0.815 6.766) 6.815 16.445 ( 0.000 -1.251 5.545) 5.684 16.509 ( 0.000 1.335 2.052) 2.448 16.531 ( -0.000 0.908 2.282) 2.456 16.739 ( 0.000 -0.779 5.729) 5.782 16.752 ( 0.000 -0.586 6.208) 6.236 17.090 ( 0.000 -5.403 4.216) 6.853 17.128 ( 0.000 -3.294 4.531) 5.602 ======================= Grid point 55 (22/60) ======================= q-point: ( 0.00 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( 0.000 16.658 7.876) 18.426 0.970 ( 0.000 18.970 4.839) 19.577 1.341 ( 0.000 -2.310 3.687) 4.350 1.487 ( 0.000 4.588 3.619) 5.843 1.512 ( 0.000 6.959 -2.190) 7.295 1.658 ( 0.000 21.853 12.394) 25.123 1.704 ( 0.000 0.117 -2.395) 2.398 1.783 ( 0.000 -0.370 11.176) 11.182 1.864 ( 0.000 3.703 1.926) 4.174 1.979 ( 0.000 -3.099 -3.675) 4.807 2.091 ( 0.000 -3.890 -2.583) 4.669 2.178 ( 0.000 -3.875 5.245) 6.521 2.243 ( 0.000 -0.490 -2.344) 2.394 2.272 ( 0.000 -4.451 1.669) 4.754 2.412 ( 0.000 -2.029 -3.903) 4.399 2.500 ( 0.000 -0.191 3.630) 3.635 2.562 ( 0.000 -2.269 -2.221) 3.176 2.684 ( 0.000 -1.516 -1.737) 2.306 2.724 ( 0.000 1.592 0.651) 1.720 2.736 ( 0.000 1.495 -1.394) 2.044 2.897 ( 0.000 -5.236 -1.222) 5.377 2.918 ( 0.000 -0.686 -4.709) 4.759 3.029 ( 0.000 2.923 -3.439) 4.513 3.035 ( 0.000 -4.203 -3.463) 5.446 3.135 ( 0.000 -4.217 1.932) 4.639 3.292 ( 0.000 -5.831 3.082) 6.596 3.312 ( 0.000 -2.204 -0.653) 2.298 3.428 ( 0.000 -9.518 3.726) 10.222 3.547 ( 0.000 -3.315 1.814) 3.779 3.706 ( 0.000 -11.024 0.315) 11.029 3.828 ( 0.000 -2.187 6.647) 6.997 3.882 ( 0.000 -4.990 -0.139) 4.992 4.029 ( 0.000 -1.048 7.446) 7.520 4.113 ( 0.000 -3.114 0.206) 3.121 4.207 ( 0.000 2.397 0.900) 2.560 4.322 ( 0.000 -5.589 -2.205) 6.009 4.441 ( 0.000 3.297 1.375) 3.573 4.573 ( 0.000 0.263 1.703) 1.723 4.598 ( 0.000 2.782 1.662) 3.240 4.644 ( 0.000 0.994 -1.467) 1.772 4.729 ( 0.000 4.461 -1.441) 4.688 4.735 ( 0.000 -7.064 2.416) 7.466 4.820 ( 0.000 -0.682 1.668) 1.802 4.899 ( 0.000 1.174 -3.318) 3.519 4.985 ( 0.000 3.210 1.425) 3.513 5.013 ( 0.000 -0.186 -1.898) 1.907 5.078 ( 0.000 -2.021 -0.116) 2.025 5.128 ( 0.000 0.460 3.968) 3.995 5.374 ( 0.000 0.869 2.014) 2.194 5.528 ( 0.000 -1.851 -0.612) 1.949 5.603 ( 0.000 0.374 1.900) 1.936 5.737 ( 0.000 2.427 -2.856) 3.748 5.737 ( 0.000 -3.552 -2.509) 4.349 5.968 ( 0.000 -3.234 1.491) 3.561 6.151 ( 0.000 -0.761 1.949) 2.093 6.166 ( 0.000 0.099 0.323) 0.338 6.265 ( 0.000 1.644 3.455) 3.827 6.297 ( 0.000 1.600 -2.319) 2.818 6.302 ( 0.000 2.471 -1.068) 2.691 6.426 ( 0.000 1.921 0.238) 1.936 6.653 ( 0.000 0.111 -0.765) 0.773 6.669 ( 0.000 2.296 -1.789) 2.910 6.804 ( 0.000 0.165 4.981) 4.984 6.818 ( 0.000 3.412 3.979) 5.241 6.940 ( 0.000 3.013 0.599) 3.072 7.077 ( 0.000 -3.436 1.229) 3.650 7.236 ( 0.000 1.062 1.244) 1.635 7.276 ( 0.000 2.371 1.185) 2.651 7.387 ( 0.000 -1.477 -0.196) 1.490 7.388 ( 0.000 -4.083 -0.478) 4.111 7.547 ( 0.000 0.690 0.582) 0.902 7.552 ( 0.000 3.832 0.375) 3.850 7.678 ( 0.000 2.038 -1.753) 2.689 7.756 ( 0.000 1.745 -5.130) 5.419 7.794 ( 0.000 0.285 1.048) 1.086 7.824 ( 0.000 1.592 0.685) 1.733 7.939 ( 0.000 2.244 -3.314) 4.002 7.963 ( 0.000 -5.700 -2.296) 6.145 8.314 ( 0.000 -0.191 -2.265) 2.273 8.329 ( 0.000 -3.748 -3.416) 5.071 8.696 ( 0.000 1.459 1.119) 1.839 8.748 ( 0.000 -3.279 -0.988) 3.425 9.050 ( 0.000 5.369 -2.377) 5.872 9.128 ( 0.000 0.881 -6.295) 6.357 13.286 ( 0.000 2.999 1.171) 3.220 13.342 ( 0.000 1.804 0.506) 1.874 13.541 ( 0.000 4.707 -1.415) 4.915 13.548 ( 0.000 1.336 -1.772) 2.219 13.781 ( 0.000 2.572 -0.940) 2.738 13.838 ( 0.000 0.669 -0.442) 0.802 13.915 ( 0.000 3.109 -0.615) 3.169 14.180 ( 0.000 -5.619 -5.075) 7.572 15.553 ( 0.000 0.512 -0.084) 0.518 15.583 ( 0.000 1.280 -0.553) 1.395 15.818 ( 0.000 -2.997 -2.405) 3.843 15.940 ( 0.000 2.861 -4.827) 5.612 15.954 ( 0.000 2.449 -4.935) 5.510 15.993 ( 0.000 -2.702 -7.931) 8.378 16.114 ( 0.000 3.120 -4.061) 5.121 16.256 ( 0.000 3.575 -0.117) 3.577 16.358 ( 0.000 -0.804 7.337) 7.381 16.386 ( 0.000 -0.975 5.015) 5.109 16.563 ( 0.000 -0.840 4.535) 4.612 16.640 ( 0.000 0.090 1.472) 1.474 16.689 ( 0.000 2.729 2.951) 4.019 16.697 ( 0.000 -3.251 5.043) 6.000 16.837 ( 0.000 -6.125 4.382) 7.531 17.226 ( 0.000 -5.358 0.266) 5.365 ======================= Grid point 56 (23/60) ======================= q-point: ( 0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( 0.292 15.910 5.259) 16.759 1.081 ( 3.809 11.993 9.449) 15.736 1.256 ( -7.292 1.302 7.699) 10.684 1.380 ( -7.333 6.796 7.246) 12.347 1.594 ( 6.475 3.995 -1.580) 7.770 1.743 ( 5.063 2.293 -1.792) 5.840 1.783 ( 5.677 9.987 6.508) 13.203 1.806 ( 4.549 6.819 3.609) 8.957 1.920 ( 0.781 1.694 1.551) 2.426 1.960 ( -0.270 -2.061 -0.771) 2.217 2.091 ( -0.283 -1.504 2.060) 2.566 2.152 ( -3.074 -2.540 2.063) 4.489 2.229 ( 0.868 -3.252 -1.046) 3.524 2.263 ( -0.113 -2.128 1.240) 2.466 2.384 ( -2.664 -2.112 -3.441) 4.837 2.485 ( -4.532 -2.929 -0.961) 5.481 2.572 ( 3.270 -0.163 -0.262) 3.284 2.686 ( 0.343 -1.948 -0.904) 2.175 2.710 ( -0.122 1.589 0.496) 1.669 2.762 ( 1.547 0.668 -2.003) 2.617 2.866 ( -3.784 -2.928 -2.373) 5.341 2.920 ( 0.315 -1.870 -2.595) 3.214 2.964 ( -0.453 -0.290 -2.149) 2.216 3.068 ( -1.594 -2.592 -3.148) 4.378 3.177 ( -2.426 -4.121 1.974) 5.174 3.232 ( 1.706 -5.510 3.460) 6.726 3.357 ( 4.208 -5.003 -0.065) 6.538 3.495 ( 3.221 -5.570 0.888) 6.495 3.545 ( 0.352 -4.373 1.824) 4.751 3.690 ( -1.881 -7.710 0.710) 7.967 3.849 ( 1.698 -2.957 6.684) 7.503 3.892 ( 1.441 -4.097 -0.766) 4.410 3.971 ( -3.652 -2.254 6.832) 8.068 4.085 ( -4.212 -2.156 -1.351) 4.921 4.210 ( 1.661 -0.491 3.210) 3.648 4.316 ( -1.149 -4.640 -0.526) 4.809 4.476 ( 2.764 3.030 0.453) 4.126 4.558 ( -1.066 1.562 0.893) 2.092 4.580 ( -0.394 0.272 2.149) 2.201 4.650 ( -1.323 2.005 -0.876) 2.557 4.718 ( 0.677 0.701 0.234) 1.002 4.765 ( 2.046 -3.128 0.935) 3.853 4.821 ( -0.580 -1.419 2.165) 2.653 4.890 ( -1.388 1.048 -3.002) 3.470 4.958 ( -0.894 1.643 -1.438) 2.359 5.016 ( -0.279 2.356 0.082) 2.374 5.078 ( 0.003 0.246 0.117) 0.272 5.104 ( -1.137 -0.491 2.612) 2.890 5.457 ( 3.967 0.028 1.679) 4.307 5.544 ( 5.248 0.462 0.138) 5.270 5.647 ( -4.775 0.767 -1.406) 5.036 5.684 ( 4.135 0.597 2.055) 4.656 5.788 ( 1.889 -0.535 -3.368) 3.898 5.967 ( -3.766 0.217 -0.206) 3.778 6.037 ( -3.425 0.857 0.750) 3.610 6.179 ( -2.055 0.956 1.128) 2.532 6.255 ( 0.017 -1.788 0.003) 1.788 6.290 ( 5.769 -2.168 1.460) 6.333 6.380 ( 0.102 -3.457 -0.851) 3.562 6.473 ( 3.123 1.786 -1.633) 3.951 6.592 ( -3.810 1.420 -2.728) 4.897 6.688 ( -0.099 1.113 -1.114) 1.578 6.754 ( -1.441 -0.119 3.981) 4.235 6.877 ( 1.652 3.257 6.349) 7.325 6.957 ( 1.907 1.024 1.035) 2.399 7.056 ( -1.661 -3.337 2.318) 4.390 7.217 ( -0.551 0.885 1.173) 1.569 7.296 ( 0.309 1.929 0.929) 2.163 7.357 ( -0.235 0.503 1.728) 1.815 7.402 ( -0.345 -3.981 0.547) 4.033 7.533 ( -0.315 4.273 -1.252) 4.464 7.583 ( 1.494 1.913 -0.817) 2.561 7.662 ( -1.547 2.644 -0.884) 3.188 7.691 ( -2.093 2.096 -3.360) 4.479 7.774 ( -0.675 1.008 -3.384) 3.594 7.863 ( -0.020 0.794 1.935) 2.091 7.946 ( 0.739 -0.330 -1.557) 1.755 7.981 ( 1.167 -3.251 -2.672) 4.367 8.316 ( 0.397 -2.005 -3.883) 4.389 8.337 ( 0.475 -2.450 -3.066) 3.953 8.699 ( 0.240 0.967 1.445) 1.755 8.735 ( -1.116 -2.455 -0.142) 2.701 9.052 ( 0.295 5.190 -2.950) 5.977 9.106 ( -1.801 2.758 -5.452) 6.370 13.308 ( 2.160 2.909 0.758) 3.702 13.378 ( 2.595 2.557 0.298) 3.655 13.500 ( -2.151 2.057 -1.142) 3.188 13.558 ( -1.004 3.557 -2.647) 4.546 13.773 ( -0.330 1.958 -0.212) 1.997 13.816 ( -1.032 1.966 -0.178) 2.227 13.972 ( 4.270 1.828 -2.025) 5.067 14.158 ( -2.296 -3.068 -4.499) 5.910 15.566 ( 2.277 -0.505 -0.070) 2.333 15.647 ( 4.896 -1.475 -1.649) 5.372 15.771 ( -4.118 -3.373 -1.572) 5.551 15.892 ( -4.019 -0.612 -5.175) 6.581 15.965 ( 0.788 1.934 -5.557) 5.937 16.023 ( 1.621 0.479 -5.745) 5.989 16.092 ( -1.448 2.192 -3.553) 4.418 16.223 ( -1.783 4.117 -0.402) 4.505 16.389 ( 1.767 -0.862 6.203) 6.507 16.399 ( 1.125 -0.470 5.917) 6.042 16.545 ( -1.154 -0.247 2.621) 2.875 16.589 ( -3.673 -0.248 2.430) 4.411 16.681 ( 2.333 -0.582 3.838) 4.529 16.762 ( 0.391 1.432 5.066) 5.279 16.878 ( 4.734 -6.382 3.174) 8.557 17.162 ( -5.338 -4.036 1.469) 6.851 ======================= Grid point 57 (24/60) ======================= q-point: (-0.50 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( -0.000 6.738 5.292) 8.568 1.011 ( 0.000 6.248 6.480) 9.001 1.195 ( 0.000 9.172 11.654) 14.831 1.276 ( 0.000 11.214 12.211) 16.579 1.729 ( 0.000 -0.811 -2.734) 2.852 1.745 ( -0.000 -1.909 0.835) 2.083 1.847 ( -0.000 1.537 -1.487) 2.138 1.901 ( 0.000 6.726 -2.194) 7.075 1.950 ( -0.000 5.906 1.792) 6.172 1.958 ( 0.000 3.357 0.478) 3.391 2.037 ( 0.000 0.764 4.928) 4.987 2.108 ( 0.000 -1.312 8.781) 8.878 2.273 ( 0.000 -0.373 -4.035) 4.052 2.318 ( 0.000 -3.130 -2.008) 3.719 2.321 ( 0.000 -4.083 -1.216) 4.260 2.378 ( 0.000 -2.131 -0.669) 2.234 2.617 ( 0.000 1.700 -1.269) 2.121 2.692 ( 0.000 -0.660 0.496) 0.825 2.730 ( 0.000 -1.888 -2.992) 3.537 2.783 ( 0.000 -1.813 -0.550) 1.895 2.793 ( 0.000 1.314 -2.435) 2.767 2.925 ( 0.000 -1.006 -0.624) 1.184 2.983 ( -0.000 -2.869 -1.798) 3.386 3.015 ( 0.000 -6.275 -1.570) 6.469 3.138 ( 0.000 -1.972 2.081) 2.867 3.257 ( 0.000 -5.246 4.108) 6.663 3.453 ( 0.000 -4.449 -2.256) 4.988 3.482 ( 0.000 -5.704 -0.697) 5.747 3.599 ( -0.000 -4.527 -0.336) 4.540 3.634 ( 0.000 -3.972 4.277) 5.837 3.882 ( 0.000 -4.023 7.778) 8.757 3.905 ( 0.000 -2.342 3.408) 4.135 3.957 ( 0.000 -3.457 0.668) 3.521 3.992 ( 0.000 -2.684 -1.116) 2.907 4.248 ( -0.000 -3.384 2.728) 4.347 4.284 ( 0.000 -2.677 1.479) 3.059 4.512 ( 0.000 3.281 -0.913) 3.406 4.556 ( 0.000 -0.716 1.713) 1.857 4.592 ( 0.000 3.005 0.732) 3.093 4.600 ( 0.000 0.919 0.624) 1.111 4.739 ( 0.000 0.019 -0.522) 0.523 4.798 ( 0.000 -2.372 3.621) 4.329 4.816 ( 0.000 -2.390 -1.357) 2.748 4.844 ( 0.000 0.143 -0.364) 0.391 4.965 ( 0.000 3.145 -2.169) 3.820 5.006 ( 0.000 3.239 -0.615) 3.297 5.082 ( 0.000 1.186 0.986) 1.542 5.090 ( -0.000 -1.179 1.042) 1.574 5.517 ( -0.000 0.634 -1.233) 1.387 5.559 ( 0.000 1.779 1.144) 2.115 5.659 ( 0.000 0.178 3.036) 3.042 5.727 ( 0.000 2.937 2.447) 3.823 5.827 ( 0.000 1.572 -2.702) 3.126 5.848 ( 0.000 1.637 -3.697) 4.043 6.066 ( 0.000 1.194 -0.223) 1.214 6.099 ( 0.000 -2.780 2.237) 3.568 6.286 ( 0.000 -4.557 -0.725) 4.614 6.355 ( 0.000 -4.218 0.400) 4.237 6.408 ( 0.000 -5.339 -2.130) 5.748 6.483 ( 0.000 0.112 -0.146) 0.184 6.539 ( 0.000 2.680 -3.271) 4.228 6.684 ( 0.000 1.581 -2.220) 2.726 6.737 ( 0.000 -0.553 4.355) 4.389 6.884 ( 0.000 2.707 5.417) 6.056 6.992 ( 0.000 -2.952 3.788) 4.802 7.028 ( 0.000 -0.905 2.832) 2.973 7.216 ( 0.000 0.395 0.920) 1.001 7.298 ( 0.000 1.708 3.159) 3.592 7.371 ( 0.000 3.690 0.537) 3.729 7.381 ( -0.000 -2.777 1.926) 3.380 7.559 ( 0.000 4.717 -2.641) 5.406 7.564 ( -0.000 0.307 -3.455) 3.469 7.659 ( 0.000 3.647 -3.783) 5.255 7.668 ( 0.000 1.493 -0.724) 1.659 7.777 ( 0.000 1.748 -3.155) 3.607 7.843 ( 0.000 0.231 2.911) 2.920 7.961 ( 0.000 -1.293 -1.579) 2.041 7.991 ( 0.000 -1.690 -1.498) 2.258 8.325 ( 0.000 -2.872 -4.999) 5.765 8.342 ( 0.000 -2.343 -3.297) 4.045 8.706 ( 0.000 -0.442 0.919) 1.020 8.716 ( 0.000 -0.650 1.606) 1.733 9.068 ( 0.000 4.748 -4.139) 6.299 9.070 ( -0.000 4.580 -4.166) 6.192 13.354 ( 0.000 2.655 -0.063) 2.656 13.393 ( 0.000 2.776 1.041) 2.965 13.505 ( 0.000 2.247 -2.616) 3.448 13.508 ( 0.000 3.663 -1.711) 4.042 13.773 ( 0.000 1.334 0.210) 1.350 13.803 ( 0.000 3.034 -0.358) 3.055 14.055 ( 0.000 -0.969 -4.528) 4.630 14.098 ( 0.000 1.399 -2.414) 2.790 15.628 ( 0.000 -2.869 -1.714) 3.342 15.687 ( -0.000 -3.038 0.468) 3.074 15.751 ( 0.000 -3.859 -4.299) 5.777 15.798 ( -0.000 -1.938 -2.041) 2.814 15.976 ( 0.000 1.749 -6.119) 6.363 16.037 ( 0.000 2.207 -3.943) 4.518 16.080 ( 0.000 0.866 -4.505) 4.588 16.203 ( 0.000 5.008 -1.349) 5.187 16.411 ( 0.000 -0.329 6.773) 6.781 16.414 ( -0.000 -1.302 6.709) 6.834 16.538 ( -0.928 0.173 1.430) 1.713 16.538 ( 0.928 0.412 1.288) 1.640 16.733 ( 0.000 0.470 4.806) 4.829 16.734 ( -0.000 -0.937 4.993) 5.080 16.977 ( 0.000 -4.746 1.758) 5.061 17.060 ( 0.000 -2.822 3.423) 4.436 ======================= Grid point 60 (25/60) ======================= q-point: ( 0.00 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( 0.000 10.694 3.575) 11.275 1.325 ( 0.000 13.999 2.313) 14.189 1.397 ( 0.000 8.282 7.710) 11.315 1.586 ( 0.000 4.330 -0.018) 4.330 1.642 ( 0.000 5.292 -1.174) 5.421 1.684 ( 0.000 -2.912 2.023) 3.546 1.769 ( 0.000 -0.134 8.888) 8.889 1.845 ( 0.000 -1.932 -3.287) 3.813 1.949 ( 0.000 -3.302 4.789) 5.817 1.964 ( 0.000 -3.421 -1.348) 3.677 2.036 ( 0.000 7.866 2.501) 8.254 2.127 ( 0.000 -4.465 -1.022) 4.581 2.155 ( 0.000 -1.374 1.615) 2.120 2.204 ( 0.000 -3.098 -4.508) 5.470 2.404 ( 0.000 0.898 -1.988) 2.182 2.470 ( 0.000 -2.687 0.559) 2.744 2.552 ( 0.000 2.066 4.402) 4.863 2.649 ( 0.000 -1.826 0.219) 1.839 2.740 ( 0.000 -0.116 1.178) 1.183 2.764 ( 0.000 2.116 -2.631) 3.377 2.874 ( 0.000 0.436 -0.139) 0.458 2.908 ( 0.000 0.632 -2.909) 2.977 2.922 ( 0.000 -4.787 -1.156) 4.924 3.032 ( 0.000 -4.108 -4.841) 6.349 3.067 ( 0.000 -1.616 1.388) 2.130 3.206 ( 0.000 -7.369 3.686) 8.239 3.236 ( 0.000 -0.088 1.296) 1.299 3.316 ( 0.000 -1.927 -1.757) 2.607 3.502 ( 0.000 -1.094 1.857) 2.156 3.508 ( 0.000 -5.178 3.163) 6.067 3.795 ( 0.000 -2.802 3.599) 4.561 3.796 ( 0.000 -1.036 7.930) 7.998 4.021 ( 0.000 -0.116 4.036) 4.038 4.057 ( 0.000 -2.072 -0.685) 2.183 4.210 ( 0.000 -4.311 1.487) 4.560 4.217 ( 0.000 -1.398 0.407) 1.456 4.501 ( 0.000 2.400 1.655) 2.915 4.567 ( 0.000 -0.950 0.536) 1.091 4.630 ( 0.000 -0.580 -1.570) 1.674 4.645 ( 0.000 0.794 0.221) 0.825 4.672 ( 0.000 -0.262 1.324) 1.350 4.748 ( 0.000 -1.436 -1.239) 1.897 4.840 ( 0.000 1.093 0.482) 1.194 4.895 ( 0.000 -1.125 -2.476) 2.719 4.965 ( 0.000 -1.841 -1.313) 2.262 5.022 ( 0.000 -0.117 -0.942) 0.950 5.079 ( 0.000 1.637 2.512) 2.999 5.111 ( 0.000 -1.379 3.716) 3.963 5.435 ( 0.000 3.203 0.632) 3.265 5.494 ( 0.000 -1.059 0.447) 1.149 5.619 ( 0.000 1.141 2.113) 2.402 5.682 ( 0.000 -1.859 -1.598) 2.451 5.796 ( 0.000 3.126 -1.330) 3.397 5.911 ( 0.000 -2.422 2.197) 3.270 6.122 ( 0.000 -0.578 2.329) 2.400 6.157 ( 0.000 -0.899 0.612) 1.088 6.255 ( 0.000 -0.805 -1.156) 1.409 6.284 ( 0.000 -1.834 -2.282) 2.928 6.397 ( 0.000 4.199 1.292) 4.394 6.484 ( 0.000 0.927 -0.582) 1.094 6.665 ( 0.000 1.575 -1.201) 1.981 6.707 ( 0.000 0.874 -2.657) 2.797 6.829 ( 0.000 2.101 3.511) 4.092 6.869 ( 0.000 1.502 3.499) 3.808 6.978 ( 0.000 0.664 2.171) 2.270 7.013 ( 0.000 -2.371 4.182) 4.807 7.270 ( 0.000 2.190 0.086) 2.192 7.327 ( 0.000 1.732 0.853) 1.930 7.337 ( 0.000 -0.767 -0.158) 0.783 7.354 ( 0.000 -1.314 0.873) 1.577 7.542 ( 0.000 -0.335 0.831) 0.896 7.605 ( 0.000 -0.054 0.155) 0.164 7.728 ( 0.000 2.306 -4.610) 5.154 7.765 ( 0.000 0.859 -5.856) 5.919 7.821 ( 0.000 1.286 -0.534) 1.392 7.840 ( 0.000 -2.259 -0.020) 2.259 7.937 ( 0.000 4.245 -0.508) 4.275 7.993 ( 0.000 3.084 -3.761) 4.864 8.244 ( 0.000 -3.912 -2.225) 4.500 8.288 ( 0.000 -2.879 -4.563) 5.396 8.692 ( 0.000 -1.376 1.089) 1.754 8.709 ( 0.000 -0.260 1.589) 1.610 9.125 ( 0.000 1.918 -3.277) 3.797 9.137 ( 0.000 0.259 -4.661) 4.668 13.343 ( 0.000 2.299 1.111) 2.553 13.373 ( 0.000 0.962 0.694) 1.186 13.584 ( 0.000 1.992 -1.575) 2.540 13.616 ( 0.000 2.064 -1.857) 2.777 13.829 ( 0.000 1.847 -2.113) 2.807 13.850 ( 0.000 0.405 -0.708) 0.816 13.977 ( 0.000 2.686 -0.320) 2.705 14.080 ( 0.000 -3.658 -3.158) 4.832 15.579 ( 0.000 2.111 0.243) 2.125 15.631 ( 0.000 3.252 -1.351) 3.522 15.746 ( 0.000 -3.539 0.047) 3.539 15.892 ( 0.000 -5.817 -6.295) 8.572 15.986 ( 0.000 1.563 -5.442) 5.662 16.003 ( 0.000 1.011 -5.529) 5.621 16.167 ( 0.000 2.245 -2.463) 3.333 16.261 ( 0.000 -2.004 1.264) 2.370 16.359 ( 0.000 0.954 7.468) 7.529 16.406 ( 0.000 1.330 6.585) 6.718 16.527 ( 0.000 -1.748 3.329) 3.760 16.593 ( 0.000 -3.112 3.604) 4.761 16.686 ( 0.000 0.622 0.343) 0.711 16.706 ( 0.000 -0.962 -0.216) 0.986 16.829 ( 0.000 5.184 4.196) 6.669 17.103 ( 0.000 -6.395 0.739) 6.437 ======================= Grid point 61 (26/60) ======================= q-point: ( 0.25 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( -3.343 13.776 2.166) 14.341 1.265 ( -3.562 7.990 4.544) 9.858 1.402 ( -0.787 9.742 8.343) 12.850 1.522 ( -3.100 6.100 2.611) 7.324 1.631 ( -0.066 0.075 1.902) 1.905 1.730 ( -0.178 -4.710 1.649) 4.994 1.779 ( 1.991 -0.899 2.200) 3.100 1.872 ( 2.613 -0.450 -1.483) 3.038 1.933 ( 2.251 -3.065 6.016) 7.117 2.036 ( -0.783 -4.106 2.388) 4.814 2.073 ( 2.071 4.033 -3.574) 5.773 2.127 ( 0.217 -0.132 -1.827) 1.844 2.159 ( 3.347 0.353 0.652) 3.428 2.220 ( 1.015 -1.748 -2.267) 3.037 2.365 ( -2.566 0.454 -2.470) 3.591 2.455 ( -2.009 -0.887 -1.904) 2.907 2.573 ( 2.451 1.287 4.295) 5.110 2.660 ( 0.553 -1.635 1.769) 2.471 2.718 ( -2.018 -0.522 -0.537) 2.152 2.775 ( 0.646 1.976 -0.692) 2.191 2.815 ( -1.089 -1.208 -1.045) 1.933 2.887 ( -0.318 -1.467 -0.709) 1.660 2.967 ( -4.010 -4.027 -1.489) 5.875 2.977 ( -1.121 -2.148 -1.181) 2.695 3.105 ( 0.798 -2.559 0.970) 2.851 3.175 ( 2.232 -0.639 1.097) 2.567 3.291 ( 2.818 -1.572 -1.368) 3.505 3.394 ( 4.558 -3.599 0.091) 5.808 3.476 ( -0.929 -1.903 1.715) 2.725 3.533 ( 1.167 -5.212 3.169) 6.211 3.778 ( 0.358 -2.843 6.405) 7.017 3.852 ( 3.500 -0.672 5.052) 6.183 3.952 ( -4.637 0.001 2.501) 5.269 4.047 ( -2.699 -1.600 0.058) 3.138 4.184 ( -0.721 -2.062 2.239) 3.128 4.231 ( 0.208 -2.876 1.689) 3.342 4.521 ( 1.570 1.457 1.500) 2.615 4.573 ( 0.223 -0.702 1.316) 1.508 4.602 ( -0.755 2.018 -0.600) 2.237 4.656 ( 1.045 -0.815 0.687) 1.493 4.679 ( -0.719 -0.112 -0.500) 0.883 4.749 ( -0.130 -1.840 -0.932) 2.067 4.805 ( -2.378 -0.784 0.393) 2.535 4.876 ( -1.993 -1.265 -2.638) 3.540 4.973 ( 2.022 -0.257 -0.956) 2.251 5.032 ( 0.054 -1.589 -1.239) 2.016 5.086 ( 0.359 1.806 1.539) 2.400 5.104 ( -0.324 0.408 2.674) 2.724 5.497 ( 3.258 2.912 0.923) 4.466 5.549 ( 5.955 0.167 0.372) 5.969 5.652 ( -2.151 -0.384 -0.180) 2.192 5.692 ( 5.485 0.193 2.106) 5.878 5.809 ( 1.473 2.081 -2.371) 3.481 5.929 ( 1.145 -2.247 1.585) 2.979 6.084 ( -6.496 2.781 -0.514) 7.084 6.155 ( 1.059 -2.057 -0.177) 2.321 6.200 ( -0.645 -1.680 1.211) 2.169 6.279 ( -1.611 -3.998 -0.996) 4.423 6.341 ( -4.568 2.470 1.275) 5.347 6.482 ( -1.159 -1.779 -0.035) 2.124 6.629 ( -2.307 2.139 -1.940) 3.696 6.702 ( -0.031 0.275 -2.416) 2.431 6.772 ( -1.915 1.661 3.004) 3.931 6.910 ( -2.021 -0.406 4.450) 4.904 6.961 ( 2.118 0.565 2.374) 3.232 7.024 ( 0.057 -0.289 3.516) 3.528 7.238 ( -1.618 1.042 0.232) 1.938 7.309 ( -1.087 -1.001 0.344) 1.517 7.357 ( 0.983 0.475 0.375) 1.154 7.400 ( 3.873 2.550 1.689) 4.935 7.601 ( 2.467 0.775 0.279) 2.601 7.611 ( 1.998 1.767 -0.815) 2.789 7.711 ( -2.132 2.375 -3.157) 4.489 7.759 ( -1.819 2.689 -3.697) 4.920 7.776 ( 0.537 -0.205 -3.658) 3.703 7.847 ( -1.173 -2.373 0.538) 2.701 7.964 ( 1.733 3.494 -0.638) 3.952 7.998 ( 0.213 2.665 -2.570) 3.709 8.244 ( 0.165 -3.880 -3.728) 5.384 8.285 ( -0.398 -3.344 -4.321) 5.479 8.695 ( 0.299 -0.735 1.412) 1.620 8.710 ( 0.004 -0.137 1.763) 1.769 9.119 ( -0.187 1.627 -3.799) 4.137 9.136 ( -0.339 0.626 -4.394) 4.451 13.364 ( 2.088 2.210 0.405) 3.067 13.423 ( 3.751 1.521 0.585) 4.090 13.532 ( -2.996 1.209 -1.981) 3.790 13.620 ( -1.657 1.910 -1.232) 2.813 13.795 ( -1.216 0.274 -1.128) 1.681 13.857 ( 0.154 1.765 -0.072) 1.773 14.011 ( 2.619 1.637 -2.802) 4.170 14.118 ( 2.271 -0.762 -2.501) 3.463 15.571 ( -0.211 0.949 -0.030) 0.973 15.639 ( 0.965 0.703 -1.403) 1.842 15.700 ( -3.564 -2.978 0.487) 4.670 15.827 ( -4.984 -4.874 -3.873) 7.975 15.995 ( 0.773 1.001 -6.085) 6.215 16.041 ( 2.190 0.713 -5.495) 5.958 16.121 ( -2.581 0.786 -3.064) 4.083 16.286 ( 0.987 1.868 1.244) 2.451 16.372 ( 1.241 0.104 6.834) 6.946 16.413 ( 0.266 0.500 7.256) 7.279 16.517 ( -0.673 -1.824 1.613) 2.526 16.567 ( -1.592 -1.280 1.944) 2.820 16.691 ( 1.606 1.102 1.544) 2.486 16.764 ( 1.430 -2.446 3.245) 4.308 16.843 ( 2.628 3.853 1.784) 4.994 17.070 ( -2.945 -4.727 1.230) 5.704 ======================= Grid point 62 (27/60) ======================= q-point: (-0.50 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( -0.000 10.752 3.587) 11.335 1.196 ( 0.000 10.466 4.352) 11.334 1.387 ( 0.000 8.326 6.617) 10.635 1.496 ( 0.000 9.140 7.004) 11.515 1.654 ( 0.000 -5.674 0.252) 5.680 1.678 ( -0.000 -4.373 2.268) 4.926 1.826 ( 0.000 -3.127 1.965) 3.693 1.931 ( -0.000 -0.721 1.207) 1.406 1.967 ( 0.000 -1.121 0.140) 1.130 1.981 ( 0.000 -4.443 3.622) 5.732 2.105 ( -0.000 3.626 -1.378) 3.879 2.117 ( 0.000 4.134 0.016) 4.134 2.217 ( 0.000 -3.657 -0.600) 3.705 2.242 ( 0.000 -2.397 -4.067) 4.720 2.340 ( 0.000 2.638 -3.817) 4.639 2.415 ( 0.000 1.312 -3.107) 3.373 2.631 ( 0.000 -0.544 0.865) 1.021 2.653 ( -0.000 -1.100 3.885) 4.038 2.682 ( 0.000 -2.125 1.593) 2.656 2.780 ( -0.000 0.567 -1.454) 1.561 2.828 ( 0.000 2.193 0.114) 2.196 2.874 ( 0.000 -2.512 -0.065) 2.513 2.902 ( 0.000 -4.447 -0.706) 4.503 2.960 ( 0.000 -0.106 0.248) 0.269 3.116 ( 0.000 -1.094 -0.959) 1.455 3.196 ( 0.000 -0.551 1.951) 2.027 3.364 ( 0.000 -4.924 -2.507) 5.526 3.394 ( 0.000 -0.769 -0.645) 1.004 3.510 ( 0.000 -3.152 -0.320) 3.168 3.534 ( -0.000 -4.885 5.817) 7.596 3.799 ( 0.000 -3.019 8.150) 8.692 3.878 ( 0.000 0.065 1.564) 1.566 3.927 ( 0.000 -0.425 4.781) 4.800 3.973 ( 0.000 -0.408 -0.834) 0.928 4.182 ( 0.000 -2.440 3.165) 3.996 4.230 ( 0.000 -2.233 2.085) 3.055 4.545 ( 0.000 -0.337 1.661) 1.695 4.562 ( 0.000 1.442 1.127) 1.830 4.629 ( 0.000 1.536 -0.485) 1.611 4.639 ( 0.000 1.537 -0.081) 1.539 4.697 ( -0.000 -1.709 0.218) 1.723 4.712 ( 0.000 -3.007 1.829) 3.520 4.784 ( 0.000 -1.947 -3.665) 4.150 4.852 ( 0.000 -1.005 -0.344) 1.062 5.016 ( 0.000 1.555 -1.665) 2.278 5.032 ( 0.000 -2.042 -2.451) 3.190 5.064 ( 0.000 0.783 1.404) 1.608 5.113 ( 0.000 1.521 2.014) 2.524 5.551 ( -0.000 2.081 0.417) 2.123 5.587 ( 0.000 0.863 2.244) 2.404 5.659 ( 0.000 -0.149 0.752) 0.767 5.784 ( 0.000 2.372 2.904) 3.750 5.859 ( 0.000 1.354 -2.707) 3.027 5.891 ( 0.000 2.208 -3.229) 3.912 6.049 ( 0.000 -1.933 0.642) 2.037 6.073 ( -0.000 -0.870 -0.680) 1.104 6.228 ( -0.000 -0.727 1.017) 1.250 6.254 ( 0.000 -3.946 0.512) 3.979 6.309 ( 0.000 -4.157 -0.760) 4.226 6.439 ( 0.000 -3.728 3.511) 5.121 6.602 ( 0.000 2.739 -2.200) 3.513 6.710 ( 0.000 0.701 -4.551) 4.605 6.749 ( 0.000 1.624 4.331) 4.626 6.881 ( 0.000 -1.425 2.980) 3.303 6.987 ( 0.000 1.107 3.739) 3.899 7.018 ( 0.000 -0.073 3.182) 3.183 7.220 ( 0.000 -0.054 0.210) 0.217 7.294 ( 0.000 -1.318 2.293) 2.645 7.387 ( 0.000 2.201 -0.142) 2.206 7.449 ( 0.000 3.260 1.349) 3.528 7.600 ( 0.000 2.928 -2.954) 4.159 7.652 ( -0.000 4.010 -0.649) 4.062 7.691 ( 0.000 0.058 -0.357) 0.362 7.736 ( 0.000 3.071 -3.375) 4.563 7.790 ( 0.000 -0.483 -5.024) 5.048 7.826 ( 0.000 -1.635 1.433) 2.175 7.985 ( 0.000 3.192 -1.390) 3.482 7.998 ( 0.000 1.774 -0.643) 1.887 8.249 ( 0.000 -4.170 -5.641) 7.015 8.276 ( 0.000 -3.592 -3.714) 5.166 8.701 ( 0.000 -0.008 1.556) 1.556 8.709 ( 0.000 -0.046 2.109) 2.110 9.124 ( 0.000 1.118 -4.288) 4.431 9.124 ( 0.000 1.172 -4.171) 4.333 13.408 ( 0.000 2.273 -0.357) 2.301 13.450 ( 0.000 2.583 -0.110) 2.585 13.530 ( 0.000 0.086 -1.951) 1.952 13.562 ( 0.000 1.306 -0.490) 1.395 13.787 ( 0.000 0.236 -0.218) 0.321 13.859 ( 0.000 2.136 0.226) 2.148 14.048 ( 0.000 0.193 -5.206) 5.210 14.142 ( 0.000 2.344 -1.387) 2.724 15.578 ( 0.000 -1.732 -0.945) 1.973 15.639 ( 0.000 -1.506 1.665) 2.245 15.676 ( 0.000 -2.957 -3.108) 4.290 15.742 ( 0.000 -2.851 -0.476) 2.891 16.005 ( 0.000 0.942 -6.272) 6.343 16.072 ( 0.000 1.103 -3.981) 4.131 16.087 ( 0.000 -0.021 -5.504) 5.504 16.294 ( 0.000 3.661 1.413) 3.924 16.398 ( 0.000 -0.333 7.213) 7.221 16.406 ( -0.000 -0.199 7.119) 7.122 16.510 ( 0.000 -1.975 0.520) 2.043 16.548 ( 0.000 0.160 0.669) 0.688 16.723 ( 0.000 -0.037 3.116) 3.116 16.757 ( 0.000 1.438 4.493) 4.718 16.905 ( 0.000 -2.204 -0.475) 2.255 17.015 ( -0.000 -1.491 2.466) 2.882 ======================= Grid point 65 (28/60) ======================= q-point: ( 0.00 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( 0.000 -5.099 2.357) 5.618 1.439 ( 0.000 5.099 2.357) 5.618 1.580 ( 0.000 -6.211 5.389) 8.223 1.580 ( 0.000 6.211 5.389) 8.223 1.662 ( 0.000 -2.843 0.044) 2.844 1.662 ( 0.000 2.843 0.043) 2.844 1.800 ( 0.000 -2.719 4.715) 5.443 1.800 ( 0.000 2.719 4.715) 5.443 1.899 ( 0.000 -0.000 3.196) 3.196 1.899 ( 0.000 0.000 3.196) 3.196 2.071 ( 0.000 -1.795 -8.195) 8.389 2.071 ( 0.000 1.795 -8.195) 8.389 2.178 ( 0.000 -0.211 -0.565) 0.603 2.178 ( 0.000 0.211 -0.565) 0.603 2.428 ( 0.000 -0.943 -1.211) 1.535 2.428 ( 0.000 0.943 -1.211) 1.535 2.602 ( 0.000 -2.348 5.524) 6.002 2.602 ( 0.000 2.348 5.524) 6.002 2.771 ( 0.000 -3.286 -0.782) 3.378 2.771 ( 0.000 3.286 -0.782) 3.378 2.871 ( 0.000 -5.041 -1.387) 5.228 2.871 ( 0.000 5.041 -1.387) 5.228 2.940 ( 0.000 -1.310 -2.769) 3.063 2.940 ( 0.000 1.310 -2.769) 3.063 3.087 ( 0.000 -2.695 3.468) 4.392 3.087 ( 0.000 2.695 3.468) 4.392 3.264 ( 0.000 -2.243 -1.447) 2.669 3.264 ( 0.000 2.243 -1.447) 2.669 3.489 ( 0.000 -0.644 3.133) 3.199 3.489 ( 0.000 0.644 3.133) 3.199 3.777 ( 0.000 -0.330 6.960) 6.968 3.777 ( 0.000 0.330 6.960) 6.968 4.026 ( 0.000 -0.570 0.093) 0.578 4.026 ( 0.000 0.570 0.093) 0.578 4.177 ( 0.000 -1.009 1.976) 2.219 4.177 ( 0.000 1.009 1.976) 2.219 4.540 ( 0.000 -1.460 0.430) 1.522 4.540 ( 0.000 1.460 0.430) 1.522 4.643 ( 0.000 -0.406 -1.219) 1.285 4.643 ( 0.000 0.406 -1.219) 1.285 4.691 ( 0.000 -2.901 0.497) 2.943 4.691 ( 0.000 2.901 0.497) 2.943 4.864 ( 0.000 -1.274 -1.999) 2.370 4.864 ( 0.000 1.274 -1.999) 2.370 4.986 ( 0.000 -2.033 1.038) 2.283 4.986 ( 0.000 2.033 1.038) 2.283 5.098 ( 0.000 -0.120 1.916) 1.920 5.098 ( 0.000 0.120 1.916) 1.920 5.478 ( 0.000 -0.943 0.773) 1.219 5.478 ( 0.000 0.943 0.773) 1.219 5.648 ( 0.000 -1.566 -0.054) 1.567 5.648 ( 0.000 1.566 -0.054) 1.567 5.859 ( 0.000 -2.644 0.951) 2.810 5.859 ( 0.000 2.644 0.951) 2.810 6.133 ( 0.000 -0.907 1.482) 1.738 6.133 ( 0.000 0.907 1.482) 1.738 6.252 ( 0.000 -0.797 -1.543) 1.737 6.252 ( 0.000 0.797 -1.543) 1.737 6.462 ( 0.000 -2.199 0.349) 2.227 6.462 ( 0.000 2.199 0.349) 2.227 6.701 ( 0.000 -1.231 -2.392) 2.691 6.701 ( 0.000 1.231 -2.392) 2.691 6.872 ( 0.000 -0.597 2.922) 2.982 6.872 ( 0.000 0.597 2.922) 2.982 6.984 ( 0.000 -0.117 4.052) 4.054 6.984 ( 0.000 0.117 4.052) 4.054 7.315 ( 0.000 -1.809 -0.534) 1.886 7.315 ( 0.000 1.809 -0.534) 1.886 7.343 ( 0.000 -0.552 1.274) 1.389 7.343 ( 0.000 0.552 1.274) 1.389 7.564 ( 0.000 -2.453 0.250) 2.466 7.564 ( 0.000 2.453 0.250) 2.466 7.768 ( 0.000 -1.380 -5.820) 5.981 7.768 ( 0.000 1.380 -5.820) 5.981 7.824 ( 0.000 -0.385 -0.493) 0.625 7.824 ( 0.000 0.385 -0.493) 0.625 8.022 ( 0.000 -2.053 -0.941) 2.259 8.022 ( 0.000 2.053 -0.941) 2.259 8.215 ( 0.000 -2.339 -4.457) 5.034 8.215 ( 0.000 2.339 -4.457) 5.034 8.693 ( 0.000 -0.927 1.856) 2.074 8.693 ( 0.000 0.927 1.856) 2.074 9.141 ( 0.000 -0.005 -3.890) 3.890 9.141 ( 0.000 0.005 -3.890) 3.890 13.376 ( 0.000 -0.587 0.861) 1.042 13.376 ( 0.000 0.587 0.861) 1.042 13.621 ( 0.000 -0.796 -1.624) 1.809 13.621 ( 0.000 0.796 -1.624) 1.809 13.852 ( 0.000 -0.105 -1.935) 1.938 13.852 ( 0.000 0.105 -1.935) 1.938 14.025 ( 0.000 -1.870 -1.093) 2.166 14.025 ( 0.000 1.870 -1.093) 2.166 15.638 ( 0.000 -3.064 -0.218) 3.072 15.638 ( 0.000 3.064 -0.218) 3.072 15.763 ( 0.000 -5.664 -2.122) 6.048 15.763 ( 0.000 5.664 -2.122) 6.048 16.007 ( 0.000 -0.330 -5.945) 5.954 16.007 ( 0.000 0.330 -5.945) 5.954 16.214 ( 0.000 -1.631 -0.639) 1.752 16.214 ( 0.000 1.631 -0.639) 1.752 16.392 ( 0.000 -1.891 8.070) 8.289 16.392 ( 0.000 1.891 8.070) 8.289 16.537 ( 0.000 -2.082 2.112) 2.966 16.537 ( 0.000 2.082 2.112) 2.966 16.696 ( 0.000 -0.179 0.148) 0.232 16.696 ( 0.000 0.179 0.148) 0.232 16.963 ( 0.000 -6.901 1.901) 7.158 16.963 ( 0.000 6.901 1.901) 7.158 ======================= Grid point 67 (29/60) ======================= q-point: ( 0.25 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( -2.650 0.000 1.393) 2.994 1.413 ( -4.239 0.000 2.993) 5.189 1.525 ( -2.990 0.000 5.434) 6.202 1.582 ( -1.559 0.000 0.839) 1.771 1.623 ( -5.130 0.000 2.940) 5.913 1.636 ( 1.888 -0.000 4.924) 5.274 1.763 ( -0.681 0.000 4.822) 4.870 1.856 ( 1.193 -0.000 6.258) 6.370 1.914 ( 3.647 0.000 -0.633) 3.701 1.973 ( 1.698 0.000 2.529) 3.046 2.086 ( 1.299 0.000 -3.911) 4.121 2.087 ( 3.889 0.000 -6.516) 7.588 2.198 ( 1.302 0.000 -1.869) 2.277 2.214 ( 0.827 0.000 -2.664) 2.790 2.376 ( -1.793 0.000 -3.453) 3.890 2.445 ( -1.002 0.000 -2.998) 3.161 2.614 ( 1.435 -0.000 4.884) 5.090 2.616 ( 0.885 0.000 5.395) 5.468 2.721 ( -4.262 0.000 0.457) 4.287 2.795 ( 0.680 0.000 -3.063) 3.138 2.813 ( -1.444 -0.000 -0.576) 1.555 2.863 ( 0.268 0.000 -0.523) 0.587 2.918 ( 1.937 0.000 0.064) 1.938 2.935 ( -5.132 0.000 2.781) 5.837 3.080 ( 2.802 0.000 -1.301) 3.090 3.177 ( 2.331 0.000 0.772) 2.456 3.272 ( 2.345 0.000 -2.819) 3.667 3.356 ( 5.091 0.000 0.514) 5.116 3.474 ( -0.889 -0.000 0.979) 1.323 3.478 ( -0.668 0.000 5.180) 5.223 3.750 ( 0.145 0.000 7.458) 7.460 3.844 ( 3.815 0.000 6.735) 7.741 3.957 ( -4.224 0.000 -0.394) 4.242 4.025 ( -2.266 0.000 0.706) 2.374 4.159 ( -0.277 0.000 2.961) 2.974 4.198 ( 0.701 0.000 2.116) 2.229 4.538 ( 0.203 0.000 0.812) 0.837 4.561 ( 1.183 0.000 1.064) 1.591 4.643 ( 0.904 0.000 -1.754) 1.974 4.648 ( -0.575 -0.000 0.234) 0.620 4.683 ( -0.688 0.000 1.048) 1.254 4.704 ( 1.008 -0.000 -0.062) 1.010 4.790 ( -3.841 0.000 -2.329) 4.492 4.864 ( -2.819 0.000 -1.940) 3.423 4.972 ( 3.358 0.000 0.115) 3.360 5.005 ( -0.518 0.000 -0.160) 0.543 5.107 ( -1.060 0.000 1.554) 1.881 5.113 ( 1.698 0.000 1.508) 2.271 5.541 ( 5.271 -0.000 0.163) 5.274 5.547 ( 3.355 0.000 -0.062) 3.356 5.642 ( -0.249 0.000 0.877) 0.912 5.695 ( 5.453 0.000 1.666) 5.702 5.842 ( 0.577 0.000 -1.668) 1.765 5.897 ( 1.666 0.000 1.736) 2.406 6.117 ( 0.359 0.000 -0.171) 0.398 6.156 ( -4.745 0.000 -0.675) 4.793 6.176 ( -6.159 -0.000 -0.171) 6.161 6.209 ( 1.706 0.000 1.025) 1.990 6.387 ( -6.788 0.000 0.125) 6.789 6.441 ( -2.637 0.000 2.040) 3.334 6.658 ( -2.425 0.000 -0.998) 2.623 6.701 ( 0.448 0.000 -3.649) 3.677 6.795 ( -1.926 0.000 2.580) 3.219 6.899 ( -3.246 0.000 3.771) 4.975 6.975 ( 2.882 0.000 2.549) 3.848 7.019 ( 0.349 0.000 3.419) 3.437 7.253 ( -3.095 0.000 -0.443) 3.127 7.292 ( -0.936 0.000 0.124) 0.944 7.372 ( 2.470 0.000 0.289) 2.487 7.432 ( 4.526 0.000 2.328) 5.089 7.609 ( 3.838 0.000 0.217) 3.845 7.622 ( 3.742 -0.000 -0.135) 3.744 7.745 ( -3.354 0.000 -2.056) 3.934 7.775 ( 0.089 0.000 -4.761) 4.762 7.777 ( -0.321 0.000 -6.004) 6.013 7.823 ( -1.444 0.000 0.589) 1.560 8.021 ( 0.565 0.000 0.137) 0.581 8.040 ( 0.339 0.000 -0.808) 0.876 8.195 ( -0.766 0.000 -5.894) 5.943 8.227 ( 0.164 0.000 -3.959) 3.962 8.697 ( 0.333 0.000 1.741) 1.772 8.700 ( 0.607 0.000 2.014) 2.103 9.137 ( -0.322 0.000 -4.070) 4.083 9.138 ( -0.266 -0.000 -3.998) 4.007 13.389 ( 2.156 0.000 -0.124) 2.159 13.437 ( 4.331 0.000 1.003) 4.446 13.547 ( -3.789 0.000 -2.670) 4.635 13.637 ( -2.072 0.000 0.303) 2.095 13.796 ( -1.403 0.000 -1.765) 2.255 13.878 ( 0.467 0.000 -0.090) 0.475 14.030 ( 1.609 0.000 -4.058) 4.365 14.113 ( 4.740 0.000 -0.919) 4.829 15.593 ( -2.588 0.000 -0.706) 2.683 15.632 ( -1.010 -0.000 0.467) 1.113 15.702 ( -3.957 0.000 -1.813) 4.353 15.738 ( -2.356 0.000 -0.563) 2.422 16.005 ( 0.640 0.000 -6.289) 6.322 16.047 ( 2.050 0.000 -5.875) 6.222 16.129 ( -2.991 0.000 -2.946) 4.198 16.303 ( 3.278 -0.000 1.359) 3.548 16.393 ( 0.198 0.000 7.390) 7.392 16.398 ( 0.390 -0.000 8.672) 8.680 16.500 ( -1.647 0.000 -0.022) 1.647 16.550 ( 0.076 0.000 1.435) 1.437 16.708 ( 1.269 0.000 1.173) 1.728 16.735 ( 2.663 0.000 2.058) 3.365 16.917 ( -2.385 0.000 0.792) 2.513 16.991 ( 0.816 0.000 2.158) 2.307 ======================= Grid point 69 (30/60) ======================= q-point: (-0.50 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( 0.000 0.000 2.357) 2.357 1.357 ( 0.000 0.000 2.439) 2.439 1.480 ( 0.000 0.000 3.521) 3.521 1.559 ( 0.000 0.000 1.341) 1.341 1.560 ( 0.000 0.000 3.223) 3.223 1.661 ( 0.000 0.000 6.379) 6.379 1.768 ( 0.000 -0.000 6.197) 6.197 1.863 ( 0.000 0.000 8.794) 8.794 1.961 ( 0.000 0.000 -2.699) 2.699 1.967 ( 0.000 0.000 -1.355) 1.355 2.153 ( -0.000 -0.000 -0.739) 0.739 2.171 ( 0.000 0.000 -3.895) 3.895 2.171 ( 0.000 -0.000 -0.991) 0.991 2.200 ( 0.000 0.000 -4.476) 4.476 2.363 ( 0.000 0.000 -5.827) 5.827 2.416 ( -0.000 0.000 -6.001) 6.001 2.634 ( -0.000 -0.000 2.457) 2.457 2.641 ( 0.000 0.000 4.293) 4.293 2.659 ( 0.000 0.000 6.409) 6.409 2.790 ( 0.000 0.000 -4.570) 4.570 2.814 ( 0.000 0.000 -1.464) 1.464 2.874 ( 0.000 0.000 3.730) 3.730 2.879 ( 0.000 0.000 1.249) 1.249 2.941 ( 0.000 0.000 0.822) 0.822 3.100 ( 0.000 0.000 -3.124) 3.124 3.202 ( 0.000 0.000 1.429) 1.429 3.309 ( 0.000 0.000 -3.202) 3.202 3.400 ( 0.000 0.000 0.307) 0.307 3.470 ( 0.000 0.000 6.561) 6.561 3.479 ( 0.000 0.000 -0.511) 0.511 3.769 ( 0.000 0.000 8.893) 8.893 3.889 ( 0.000 0.000 -1.182) 1.182 3.918 ( 0.000 0.000 9.004) 9.004 3.963 ( 0.000 0.000 -1.385) 1.385 4.158 ( 0.000 0.000 3.549) 3.549 4.205 ( 0.000 0.000 2.373) 2.373 4.542 ( 0.000 0.000 1.173) 1.173 4.577 ( 0.000 0.000 1.865) 1.865 4.635 ( 0.000 0.000 0.716) 0.716 4.652 ( 0.000 0.000 0.133) 0.133 4.687 ( 0.000 0.000 1.370) 1.370 4.718 ( 0.000 0.000 -0.854) 0.854 4.731 ( -0.000 -0.000 -4.551) 4.551 4.831 ( 0.000 0.000 -0.859) 0.859 5.004 ( 0.000 0.000 -2.547) 2.547 5.033 ( 0.000 0.000 -1.031) 1.031 5.075 ( 0.000 0.000 0.600) 0.600 5.130 ( 0.000 0.000 2.153) 2.153 5.577 ( 0.000 0.000 1.601) 1.601 5.596 ( -0.000 0.000 2.241) 2.241 5.656 ( 0.000 0.000 -0.946) 0.946 5.812 ( -0.000 0.000 4.266) 4.266 5.875 ( 0.000 0.000 -3.774) 3.774 5.921 ( 0.000 0.000 -3.456) 3.456 6.025 ( -0.000 0.000 -0.137) 0.137 6.053 ( 0.000 0.000 -0.515) 0.515 6.217 ( -0.000 0.000 0.465) 0.465 6.232 ( 0.000 0.000 1.603) 1.603 6.257 ( 0.000 0.000 0.145) 0.145 6.386 ( 0.000 0.000 5.584) 5.584 6.633 ( 0.000 0.000 -0.919) 0.919 6.716 ( 0.000 0.000 -6.074) 6.074 6.773 ( 0.000 0.000 4.412) 4.412 6.864 ( 0.000 0.000 2.491) 2.491 7.000 ( 0.000 0.000 2.506) 2.506 7.019 ( 0.000 0.000 2.948) 2.948 7.218 ( 0.000 0.000 -0.079) 0.079 7.280 ( 0.000 0.000 1.059) 1.059 7.414 ( 0.000 0.000 0.263) 0.263 7.487 ( 0.000 0.000 1.809) 1.809 7.657 ( 0.000 0.000 -3.552) 3.552 7.668 ( 0.000 0.000 0.929) 0.929 7.711 ( 0.000 0.000 2.019) 2.019 7.752 ( 0.000 0.000 -3.490) 3.490 7.780 ( -0.000 0.000 -6.146) 6.146 7.810 ( 0.000 0.000 -1.694) 1.694 8.027 ( 0.000 0.000 0.817) 0.817 8.040 ( 0.000 0.000 -0.225) 0.225 8.187 ( 0.000 0.000 -6.589) 6.589 8.227 ( 0.000 0.000 -4.187) 4.187 8.702 ( 0.000 0.000 1.654) 1.654 8.709 ( 0.000 0.000 2.141) 2.141 9.133 ( 0.000 0.000 -4.262) 4.262 9.134 ( 0.000 0.000 -4.109) 4.109 13.435 ( 0.000 0.000 -0.811) 0.811 13.487 ( 0.000 0.000 -2.658) 2.658 13.521 ( 0.000 0.000 0.661) 0.661 13.572 ( 0.000 0.000 0.598) 0.598 13.789 ( 0.000 0.000 -0.538) 0.538 13.882 ( 0.000 0.000 0.574) 0.574 14.052 ( 0.000 0.000 -5.780) 5.780 14.171 ( 0.000 0.000 -1.134) 1.134 15.560 ( 0.000 0.000 -0.843) 0.843 15.624 ( 0.000 0.000 1.885) 1.885 15.643 ( -0.000 0.000 -2.334) 2.334 15.707 ( 0.000 0.000 0.445) 0.445 16.015 ( 0.000 0.000 -6.430) 6.430 16.083 ( -0.000 0.000 -4.004) 4.004 16.086 ( 0.000 0.000 -5.882) 5.882 16.339 ( 0.000 -0.000 2.639) 2.639 16.395 ( -0.000 0.000 7.172) 7.172 16.403 ( 0.000 0.000 8.812) 8.812 16.481 ( 0.000 0.000 -1.872) 1.872 16.549 ( 0.000 0.000 0.676) 0.676 16.725 ( 0.000 0.000 2.196) 2.196 16.775 ( 0.000 0.000 4.535) 4.535 16.882 ( 0.000 0.000 -1.109) 1.109 16.999 ( 0.000 0.000 2.109) 2.109 ======================= Grid point 90 (31/60) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.673 ( 0.000 0.000 15.793) 15.793 0.871 ( 0.000 0.000 20.038) 20.038 1.219 ( 0.000 0.000 -9.330) 9.330 1.510 ( 0.000 0.000 -6.121) 6.121 1.562 ( 0.000 0.000 26.692) 26.692 1.603 ( 0.000 0.000 3.827) 3.827 1.643 ( 0.000 0.000 1.136) 1.136 1.675 ( 0.000 0.000 2.828) 2.828 1.823 ( 0.000 0.000 5.161) 5.161 2.116 ( 0.000 0.000 -0.726) 0.726 2.182 ( 0.000 0.000 -3.788) 3.788 2.223 ( 0.000 0.000 1.128) 1.128 2.305 ( 0.000 0.000 1.600) 1.600 2.387 ( 0.000 0.000 4.883) 4.883 2.517 ( 0.000 0.000 -2.381) 2.381 2.523 ( 0.000 0.000 -2.709) 2.709 2.545 ( 0.000 0.000 -3.957) 3.957 2.577 ( 0.000 0.000 -2.059) 2.059 2.593 ( 0.000 0.000 -3.173) 3.173 2.647 ( 0.000 0.000 0.235) 0.235 2.869 ( 0.000 0.000 -3.113) 3.113 2.908 ( 0.000 0.000 -7.083) 7.083 2.935 ( 0.000 0.000 2.504) 2.504 3.090 ( 0.000 0.000 -3.187) 3.187 3.352 ( 0.000 0.000 -0.120) 0.120 3.366 ( 0.000 0.000 -1.061) 1.061 3.623 ( 0.000 0.000 6.259) 6.259 3.802 ( 0.000 0.000 5.262) 5.262 3.825 ( 0.000 0.000 -2.896) 2.896 3.842 ( 0.000 0.000 2.814) 2.814 3.914 ( 0.000 0.000 -0.489) 0.489 4.029 ( 0.000 0.000 -4.917) 4.917 4.047 ( 0.000 0.000 6.982) 6.982 4.263 ( 0.000 0.000 8.383) 8.383 4.340 ( 0.000 0.000 -5.574) 5.574 4.342 ( 0.000 0.000 3.849) 3.849 4.470 ( 0.000 0.000 -1.650) 1.650 4.496 ( 0.000 0.000 10.520) 10.520 4.531 ( 0.000 0.000 -2.471) 2.471 4.660 ( 0.000 0.000 0.556) 0.556 4.702 ( 0.000 0.000 1.398) 1.398 4.709 ( 0.000 0.000 1.300) 1.300 4.730 ( 0.000 0.000 0.725) 0.725 4.860 ( 0.000 0.000 -2.447) 2.447 5.001 ( 0.000 0.000 3.033) 3.033 5.134 ( 0.000 0.000 10.814) 10.814 5.152 ( 0.000 0.000 4.650) 4.650 5.175 ( 0.000 0.000 -0.969) 0.969 5.494 ( 0.000 0.000 -4.817) 4.817 5.564 ( 0.000 0.000 -0.734) 0.734 5.620 ( 0.000 0.000 0.806) 0.806 5.652 ( 0.000 0.000 -4.005) 4.005 5.728 ( 0.000 0.000 1.436) 1.436 5.869 ( 0.000 0.000 0.791) 0.791 5.978 ( 0.000 0.000 -4.265) 4.265 5.991 ( 0.000 0.000 -10.940) 10.940 6.264 ( 0.000 0.000 2.308) 2.308 6.390 ( 0.000 0.000 0.144) 0.144 6.403 ( 0.000 0.000 -3.202) 3.202 6.409 ( 0.000 0.000 -0.892) 0.892 6.670 ( 0.000 0.000 1.989) 1.989 6.697 ( 0.000 0.000 2.936) 2.936 6.734 ( 0.000 0.000 2.774) 2.774 6.762 ( 0.000 0.000 0.091) 0.091 7.082 ( 0.000 0.000 -2.065) 2.065 7.098 ( 0.000 0.000 -2.539) 2.539 7.211 ( 0.000 0.000 -0.655) 0.655 7.221 ( 0.000 0.000 0.869) 0.869 7.356 ( 0.000 0.000 4.737) 4.737 7.431 ( 0.000 0.000 0.218) 0.218 7.478 ( 0.000 0.000 -1.256) 1.256 7.513 ( 0.000 0.000 -2.738) 2.738 7.678 ( 0.000 0.000 -2.082) 2.082 7.688 ( 0.000 0.000 2.894) 2.894 7.755 ( 0.000 0.000 -5.847) 5.847 7.792 ( 0.000 0.000 -2.097) 2.097 8.135 ( 0.000 0.000 3.353) 3.353 8.149 ( 0.000 0.000 -0.851) 0.851 8.168 ( 0.000 0.000 -2.235) 2.235 8.337 ( 0.000 0.000 -5.441) 5.441 8.630 ( 0.000 0.000 0.303) 0.303 8.664 ( 0.000 0.000 -1.239) 1.239 8.889 ( 0.000 0.000 0.034) 0.034 8.908 ( 0.000 0.000 -0.981) 0.981 13.224 ( 0.000 0.000 1.165) 1.165 13.279 ( 0.000 0.000 -1.244) 1.244 13.416 ( 0.000 0.000 1.340) 1.340 13.493 ( 0.000 0.000 -1.871) 1.871 13.783 ( 0.000 0.000 -1.436) 1.436 13.792 ( 0.000 0.000 -1.346) 1.346 13.821 ( 0.000 0.000 6.400) 6.400 14.172 ( 0.000 0.000 -9.530) 9.530 15.543 ( 0.000 0.000 -0.326) 0.326 15.560 ( 0.000 0.000 -0.730) 0.730 15.716 ( 0.000 0.000 -1.694) 1.694 15.801 ( 0.000 0.000 -3.669) 3.669 15.869 ( 0.000 0.000 -1.010) 1.010 15.935 ( 0.000 0.000 1.933) 1.933 15.937 ( 0.000 0.000 -5.559) 5.559 16.023 ( 0.000 0.000 -1.962) 1.962 16.483 ( 0.000 0.000 2.069) 2.069 16.487 ( 0.000 0.000 1.493) 1.493 16.595 ( 0.000 0.000 0.847) 0.847 16.608 ( 0.000 0.000 0.135) 0.135 16.838 ( 0.000 0.000 11.644) 11.644 17.044 ( 0.000 0.000 6.598) 6.598 17.130 ( 0.000 0.000 2.529) 2.529 17.267 ( 0.000 0.000 -7.988) 7.988 ======================= Grid point 91 (32/60) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( 17.784 0.000 12.166) 21.547 0.977 ( 9.227 0.000 16.904) 19.259 1.366 ( 10.777 0.000 -5.421) 12.063 1.446 ( -5.637 0.000 9.064) 10.674 1.521 ( -7.050 0.000 4.951) 8.615 1.595 ( 2.303 0.000 -9.004) 9.294 1.632 ( 3.143 0.000 20.184) 20.428 1.745 ( 4.384 0.000 -0.576) 4.422 1.815 ( -1.607 0.000 2.969) 3.376 2.020 ( -7.239 0.000 3.851) 8.199 2.199 ( -2.673 0.000 2.098) 3.398 2.212 ( -0.275 0.000 -3.762) 3.772 2.326 ( 1.074 0.000 -0.114) 1.080 2.331 ( -4.569 0.000 6.413) 7.874 2.491 ( -0.060 0.000 -2.589) 2.589 2.508 ( -1.624 0.000 -3.902) 4.227 2.572 ( 1.194 0.000 -3.471) 3.671 2.585 ( 3.155 0.000 -2.895) 4.283 2.661 ( 3.615 0.000 -3.813) 5.254 2.670 ( 0.689 0.000 -2.629) 2.718 2.820 ( -2.362 0.000 -2.377) 3.351 2.900 ( 0.700 0.000 -6.178) 6.218 2.902 ( -2.984 0.000 2.843) 4.122 3.070 ( -2.258 0.000 -3.366) 4.053 3.395 ( 3.798 0.000 0.677) 3.858 3.443 ( 6.083 0.000 -1.421) 6.247 3.584 ( -3.538 0.000 4.870) 6.019 3.727 ( -5.436 0.000 0.328) 5.445 3.810 ( -1.562 0.000 3.961) 4.258 3.826 ( -1.111 0.000 4.817) 4.944 3.961 ( 3.615 0.000 -1.256) 3.828 4.037 ( 0.558 0.000 -0.407) 0.691 4.079 ( 2.382 0.000 1.903) 3.049 4.199 ( -3.942 0.000 6.994) 8.028 4.328 ( -0.831 0.000 -4.624) 4.698 4.367 ( -0.638 0.000 0.051) 0.640 4.460 ( 1.006 0.000 0.324) 1.057 4.521 ( 1.516 0.000 8.066) 8.207 4.552 ( 1.645 0.000 -2.307) 2.833 4.621 ( -2.543 0.000 0.978) 2.725 4.680 ( -2.028 0.000 2.985) 3.609 4.681 ( -1.993 0.000 0.859) 2.170 4.744 ( 1.161 0.000 0.053) 1.162 4.840 ( -2.127 0.000 -1.849) 2.819 5.033 ( 2.639 0.000 3.396) 4.301 5.109 ( -1.343 0.000 7.510) 7.629 5.153 ( -1.472 0.000 0.196) 1.485 5.161 ( -0.229 0.000 6.220) 6.225 5.488 ( -0.583 0.000 -4.710) 4.746 5.500 ( -2.692 0.000 0.520) 2.742 5.649 ( 0.212 0.000 -2.933) 2.941 5.677 ( 1.782 0.000 -4.525) 4.863 5.717 ( -0.370 0.000 1.116) 1.176 5.776 ( -4.225 0.000 4.496) 6.169 6.020 ( 2.232 0.000 -8.953) 9.227 6.059 ( 2.648 0.000 -5.729) 6.311 6.309 ( 4.238 0.000 2.102) 4.730 6.383 ( 0.823 0.000 1.716) 1.903 6.432 ( 2.103 0.000 -3.658) 4.219 6.465 ( 2.070 0.000 -2.237) 3.048 6.663 ( 0.763 0.000 4.514) 4.578 6.723 ( 1.602 0.000 1.789) 2.401 6.726 ( -0.478 0.000 2.714) 2.756 6.794 ( 1.478 0.000 -0.611) 1.599 6.992 ( -2.810 0.000 2.236) 3.591 7.126 ( -4.943 0.000 0.716) 4.995 7.196 ( 4.420 0.000 -6.269) 7.671 7.269 ( 1.430 0.000 -1.877) 2.359 7.357 ( 0.213 0.000 4.203) 4.209 7.405 ( -1.889 0.000 1.417) 2.361 7.485 ( 0.212 0.000 -1.562) 1.576 7.503 ( -1.078 0.000 -2.238) 2.484 7.645 ( -2.449 0.000 4.642) 5.249 7.653 ( -1.756 0.000 -1.137) 2.092 7.764 ( 0.968 0.000 -4.158) 4.270 7.806 ( 0.291 0.000 -3.080) 3.093 8.152 ( 1.292 0.000 1.000) 1.634 8.154 ( 0.853 0.000 -1.042) 1.347 8.211 ( 2.970 0.000 -3.611) 4.675 8.318 ( -1.698 0.000 -5.312) 5.576 8.647 ( 1.725 0.000 0.862) 1.928 8.694 ( 2.846 0.000 -1.277) 3.119 8.819 ( -5.410 0.000 1.726) 5.679 8.868 ( -3.572 0.000 -1.237) 3.780 13.248 ( 2.264 0.000 1.291) 2.606 13.308 ( 2.612 0.000 -1.353) 2.942 13.385 ( -2.747 0.000 1.314) 3.045 13.458 ( -3.069 0.000 -1.723) 3.519 13.753 ( -1.032 0.000 0.676) 1.234 13.781 ( -2.608 0.000 5.798) 6.358 13.858 ( 4.463 0.000 -3.849) 5.893 14.108 ( -5.534 0.000 -8.977) 10.545 15.586 ( 4.031 0.000 -0.626) 4.080 15.653 ( 6.317 0.000 -3.968) 7.460 15.710 ( -0.782 0.000 -1.991) 2.139 15.803 ( -0.275 0.000 -4.783) 4.791 15.875 ( 0.638 0.000 -0.295) 0.703 15.923 ( -1.100 0.000 1.760) 2.075 15.940 ( 0.488 0.000 -4.108) 4.137 16.005 ( -1.546 0.000 -1.879) 2.433 16.489 ( 0.884 0.000 2.280) 2.446 16.506 ( 1.424 0.000 1.243) 1.890 16.569 ( -2.078 0.000 1.501) 2.564 16.587 ( -1.848 0.000 0.444) 1.900 16.864 ( 2.395 0.000 11.026) 11.283 17.002 ( -3.177 0.000 7.770) 8.394 17.159 ( 2.025 0.000 1.198) 2.352 17.245 ( -1.808 0.000 -5.339) 5.637 ======================= Grid point 92 (33/60) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( -1.529 0.000 11.707) 11.807 1.176 ( 1.529 0.000 11.707) 11.807 1.320 ( -0.305 0.000 12.072) 12.076 1.320 ( 0.305 0.000 12.072) 12.076 1.630 ( -3.441 0.000 -8.168) 8.863 1.630 ( 3.441 0.000 -8.168) 8.863 1.714 ( -3.105 0.000 -1.479) 3.440 1.714 ( 3.105 0.000 -1.479) 3.440 1.860 ( -7.736 0.000 11.307) 13.701 1.860 ( 7.736 0.000 11.307) 13.701 2.148 ( -0.019 0.000 5.084) 5.084 2.148 ( 0.019 0.000 5.084) 5.084 2.314 ( -0.396 0.000 -2.242) 2.277 2.314 ( 0.396 0.000 -2.242) 2.277 2.504 ( -0.002 0.000 -3.737) 3.737 2.504 ( 0.002 0.000 -3.737) 3.737 2.604 ( -0.871 0.000 -2.599) 2.741 2.604 ( 0.871 0.000 -2.599) 2.741 2.680 ( -0.010 0.000 -5.664) 5.664 2.680 ( 0.010 0.000 -5.664) 5.664 2.828 ( -1.348 0.000 1.257) 1.843 2.828 ( 1.348 0.000 1.257) 1.843 2.985 ( -4.788 0.000 -3.854) 6.147 2.985 ( 4.788 0.000 -3.854) 6.147 3.491 ( -3.551 0.000 2.482) 4.333 3.491 ( 3.551 0.000 2.482) 4.333 3.587 ( -5.633 0.000 -1.219) 5.763 3.587 ( 5.633 0.000 -1.219) 5.763 3.804 ( -0.227 0.000 6.842) 6.845 3.804 ( 0.227 0.000 6.842) 6.845 4.025 ( -1.797 0.000 -0.493) 1.863 4.025 ( 1.797 0.000 -0.493) 1.863 4.134 ( -1.789 0.000 2.331) 2.938 4.134 ( 1.789 0.000 2.331) 2.938 4.327 ( -0.874 0.000 -3.183) 3.301 4.327 ( 0.874 0.000 -3.183) 3.301 4.510 ( -0.980 0.000 2.894) 3.056 4.510 ( 0.980 0.000 2.894) 3.056 4.592 ( -0.827 0.000 -0.801) 1.152 4.592 ( 0.827 0.000 -0.801) 1.152 4.646 ( -0.005 0.000 3.767) 3.767 4.646 ( 0.005 0.000 3.767) 3.767 4.783 ( -1.989 0.000 -0.722) 2.116 4.783 ( 1.989 0.000 -0.722) 2.116 5.083 ( -0.648 0.000 4.986) 5.028 5.083 ( 0.648 0.000 4.986) 5.028 5.143 ( -0.312 0.000 3.470) 3.484 5.143 ( 0.312 0.000 3.470) 3.484 5.476 ( -0.028 0.000 -1.920) 1.920 5.476 ( 0.028 0.000 -1.920) 1.920 5.668 ( -1.289 0.000 -4.630) 4.806 5.668 ( 1.289 0.000 -4.630) 4.806 5.728 ( -0.856 0.000 3.598) 3.698 5.728 ( 0.856 0.000 3.598) 3.698 6.063 ( -0.453 0.000 -6.554) 6.570 6.063 ( 0.453 0.000 -6.554) 6.570 6.387 ( -1.208 0.000 0.824) 1.463 6.387 ( 1.208 0.000 0.824) 1.463 6.467 ( -0.487 0.000 -2.516) 2.563 6.467 ( 0.487 0.000 -2.516) 2.563 6.707 ( -0.286 0.000 3.705) 3.716 6.707 ( 0.286 0.000 3.705) 3.716 6.765 ( -0.592 0.000 2.022) 2.107 6.765 ( 0.592 0.000 2.022) 2.107 7.021 ( -2.639 0.000 1.439) 3.006 7.021 ( 2.639 0.000 1.439) 3.006 7.266 ( -1.904 0.000 -6.081) 6.372 7.266 ( 1.904 0.000 -6.081) 6.372 7.370 ( -0.987 0.000 3.074) 3.229 7.370 ( 0.987 0.000 3.074) 3.229 7.484 ( -0.009 0.000 -0.604) 0.604 7.484 ( 0.009 0.000 -0.604) 0.604 7.625 ( -0.093 0.000 2.296) 2.298 7.625 ( 0.093 0.000 2.296) 2.298 7.792 ( -0.448 0.000 -3.186) 3.217 7.792 ( 0.448 0.000 -3.186) 3.217 8.169 ( -0.000 0.000 -1.255) 1.255 8.169 ( 0.000 0.000 -1.255) 1.255 8.271 ( -2.344 0.000 -4.927) 5.456 8.271 ( 2.344 0.000 -4.927) 5.456 8.710 ( -3.701 0.000 2.106) 4.258 8.710 ( 3.701 0.000 2.106) 4.258 8.776 ( -4.523 0.000 -1.410) 4.738 8.776 ( 4.523 0.000 -1.410) 4.738 13.314 ( -3.077 0.000 1.289) 3.336 13.314 ( 3.077 0.000 1.289) 3.336 13.380 ( -3.843 0.000 -1.509) 4.129 13.380 ( 3.843 0.000 -1.509) 4.129 13.746 ( -0.283 0.000 3.209) 3.222 13.746 ( 0.283 0.000 3.209) 3.222 13.975 ( -6.276 0.000 -6.752) 9.218 13.975 ( 6.276 0.000 -6.752) 9.218 15.670 ( -2.576 0.000 -1.911) 3.208 15.670 ( 2.576 0.000 -1.911) 3.208 15.765 ( -3.007 0.000 -5.866) 6.592 15.765 ( 3.007 0.000 -5.866) 6.592 15.896 ( -0.388 0.000 0.958) 1.034 15.896 ( 0.388 0.000 0.958) 1.034 15.966 ( -1.527 0.000 -2.059) 2.563 15.966 ( 1.527 0.000 -2.059) 2.563 16.522 ( -2.131 0.000 2.212) 3.071 16.522 ( 2.131 0.000 2.212) 3.071 16.543 ( -1.738 0.000 0.911) 1.962 16.543 ( 1.738 0.000 0.911) 1.962 16.929 ( -3.362 0.000 9.602) 10.173 16.929 ( 3.362 0.000 9.602) 10.173 17.202 ( -1.962 0.000 -1.538) 2.493 17.202 ( 1.962 0.000 -1.538) 2.493 ======================= Grid point 95 (34/60) ======================= q-point: ( 0.00 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( 0.000 11.694 12.380) 17.030 0.947 ( 0.000 7.574 16.391) 18.056 1.277 ( 0.000 5.201 -8.369) 9.854 1.486 ( 0.000 -5.017 4.497) 6.738 1.487 ( 0.000 -0.876 -5.099) 5.174 1.639 ( 0.000 0.372 -1.392) 1.441 1.738 ( 0.000 11.701 24.224) 26.902 1.777 ( 0.000 7.270 3.269) 7.971 1.910 ( 0.000 5.834 5.050) 7.716 2.065 ( 0.000 -8.090 -1.159) 8.172 2.092 ( 0.000 -2.324 -1.547) 2.792 2.264 ( 0.000 0.584 -0.075) 0.589 2.267 ( 0.000 -3.294 1.656) 3.687 2.357 ( 0.000 -1.811 1.577) 2.402 2.409 ( 0.000 -4.949 -3.075) 5.827 2.526 ( 0.000 0.929 -0.126) 0.938 2.575 ( 0.000 -0.026 -1.811) 1.811 2.621 ( 0.000 4.009 -2.691) 4.829 2.648 ( 0.000 3.585 -1.583) 3.919 2.679 ( 0.000 1.653 -0.539) 1.738 2.857 ( 0.000 -1.347 -2.547) 2.881 2.894 ( 0.000 -1.456 -6.383) 6.547 2.946 ( 0.000 1.045 0.787) 1.308 3.053 ( 0.000 -3.499 -2.851) 4.514 3.297 ( 0.000 -5.610 1.082) 5.714 3.332 ( 0.000 -1.994 -0.880) 2.179 3.525 ( 0.000 -8.053 4.793) 9.371 3.665 ( 0.000 -9.644 -1.247) 9.724 3.699 ( 0.000 -5.024 4.314) 6.622 3.878 ( 0.000 -1.695 -1.562) 2.305 3.961 ( 0.000 0.298 2.331) 2.350 3.992 ( 0.000 -5.305 -0.156) 5.307 4.101 ( 0.000 3.165 3.905) 5.027 4.188 ( 0.000 -2.313 5.605) 6.063 4.315 ( 0.000 -3.289 -3.013) 4.461 4.337 ( 0.000 -5.171 3.737) 6.380 4.394 ( 0.000 3.430 3.405) 4.833 4.553 ( 0.000 1.564 -1.488) 2.159 4.611 ( 0.000 4.807 4.235) 6.406 4.664 ( 0.000 -0.369 2.324) 2.353 4.673 ( 0.000 0.884 0.925) 1.280 4.754 ( 0.000 3.671 -0.307) 3.684 4.798 ( 0.000 3.358 -0.277) 3.369 4.882 ( 0.000 0.781 -2.508) 2.626 5.002 ( 0.000 0.041 2.180) 2.180 5.080 ( 0.000 -7.473 1.030) 7.544 5.145 ( 0.000 0.429 8.504) 8.515 5.167 ( 0.000 1.195 3.483) 3.682 5.464 ( 0.000 -2.677 -0.409) 2.708 5.532 ( 0.000 -2.073 -0.575) 2.151 5.610 ( 0.000 -3.334 -0.956) 3.468 5.651 ( 0.000 1.744 0.168) 1.752 5.670 ( 0.000 1.245 -6.023) 6.150 5.967 ( 0.000 -2.008 -10.078) 10.277 6.050 ( 0.000 10.459 0.892) 10.497 6.070 ( 0.000 5.704 -2.080) 6.072 6.233 ( 0.000 -0.428 1.936) 1.983 6.316 ( 0.000 -4.494 -0.836) 4.571 6.393 ( 0.000 -2.158 0.511) 2.218 6.414 ( 0.000 -0.531 -1.778) 1.855 6.641 ( 0.000 -0.881 1.513) 1.750 6.659 ( 0.000 -1.158 1.281) 1.727 6.814 ( 0.000 4.612 3.335) 5.691 6.847 ( 0.000 5.981 0.337) 5.990 6.988 ( 0.000 -5.000 3.975) 6.388 7.098 ( 0.000 0.243 -1.466) 1.486 7.246 ( 0.000 2.331 0.522) 2.389 7.254 ( 0.000 1.086 -0.584) 1.233 7.378 ( 0.000 1.363 2.341) 2.710 7.417 ( 0.000 -0.681 -1.027) 1.233 7.500 ( 0.000 2.018 -1.391) 2.451 7.522 ( 0.000 -0.090 -1.503) 1.506 7.664 ( 0.000 -0.606 -0.395) 0.724 7.668 ( 0.000 -1.303 -0.027) 1.303 7.763 ( 0.000 0.930 -3.552) 3.672 7.817 ( 0.000 1.440 -3.891) 4.149 7.988 ( 0.000 -7.563 6.810) 10.177 8.071 ( 0.000 -6.201 -0.331) 6.210 8.237 ( 0.000 1.233 -5.864) 5.992 8.285 ( 0.000 -2.737 -3.882) 4.749 8.680 ( 0.000 1.934 0.474) 1.991 8.712 ( 0.000 4.052 -1.974) 4.507 8.920 ( 0.000 1.977 -0.890) 2.168 8.945 ( 0.000 3.677 -3.279) 4.927 13.252 ( 0.000 2.496 1.300) 2.814 13.303 ( 0.000 2.105 -0.695) 2.217 13.443 ( 0.000 2.437 0.397) 2.470 13.499 ( 0.000 0.644 -1.556) 1.684 13.778 ( 0.000 -0.390 2.011) 2.048 13.804 ( 0.000 1.109 -0.940) 1.454 13.841 ( 0.000 2.051 1.595) 2.598 14.130 ( 0.000 -3.626 -8.994) 9.697 15.543 ( 0.000 0.128 -0.147) 0.195 15.559 ( 0.000 0.076 -0.658) 0.662 15.736 ( 0.000 1.176 -2.930) 3.157 15.815 ( 0.000 0.808 -4.955) 5.020 15.873 ( 0.000 0.949 -0.513) 1.079 15.911 ( 0.000 -1.002 -3.620) 3.757 15.991 ( 0.000 4.190 1.181) 4.353 16.100 ( 0.000 5.659 -2.927) 6.371 16.471 ( 0.000 -0.993 2.233) 2.444 16.476 ( 0.000 -1.008 1.632) 1.919 16.605 ( 0.000 0.956 1.038) 1.411 16.622 ( 0.000 1.224 0.101) 1.229 16.832 ( 0.000 -0.634 10.715) 10.734 16.965 ( 0.000 -6.379 6.361) 9.009 17.067 ( 0.000 -5.527 3.227) 6.400 17.253 ( 0.000 -1.759 -6.171) 6.416 ======================= Grid point 96 (35/60) ======================= q-point: ( 0.25 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( 9.639 2.586 14.348) 17.478 1.099 ( 10.746 8.616 12.357) 18.504 1.394 ( 2.266 0.694 0.187) 2.377 1.445 ( 3.410 -0.469 -1.716) 3.846 1.477 ( -3.048 0.893 4.504) 5.512 1.625 ( 0.595 1.079 -5.881) 6.009 1.729 ( -0.342 7.091 10.058) 12.311 1.807 ( 3.096 7.358 8.150) 11.409 1.885 ( -1.967 3.957 2.642) 5.148 2.003 ( -5.132 -1.194 2.727) 5.933 2.141 ( 2.251 -4.101 -2.329) 5.226 2.238 ( -3.315 0.859 1.346) 3.680 2.261 ( -0.321 -4.266 0.709) 4.337 2.352 ( -0.205 -0.927 2.097) 2.301 2.392 ( -0.841 -3.105 -0.562) 3.266 2.525 ( -0.281 -1.739 -2.128) 2.763 2.554 ( -0.874 0.490 -1.427) 1.744 2.636 ( 0.832 2.098 -2.244) 3.183 2.661 ( 0.523 3.735 -3.028) 4.836 2.716 ( 2.623 0.796 -1.057) 2.938 2.820 ( -3.167 -0.393 -3.504) 4.739 2.869 ( 0.393 -0.924 -2.577) 2.765 2.928 ( -1.222 0.269 -1.193) 1.729 3.054 ( -1.209 -1.532 -2.954) 3.541 3.338 ( 2.116 -5.518 1.516) 6.101 3.385 ( 5.129 -4.166 -0.227) 6.612 3.506 ( -1.523 -6.791 3.155) 7.641 3.635 ( -2.571 -7.116 -1.820) 7.782 3.716 ( 1.311 -5.063 5.680) 7.721 3.838 ( -3.098 -1.340 2.780) 4.373 3.963 ( -0.528 -4.349 -1.933) 4.789 3.989 ( 1.139 -1.956 0.534) 2.325 4.098 ( -0.634 -0.660 3.159) 3.289 4.164 ( -1.773 -0.898 6.570) 6.864 4.300 ( -0.295 -1.849 -1.778) 2.582 4.349 ( -0.195 -3.221 -0.349) 3.246 4.432 ( 2.947 1.562 2.471) 4.151 4.559 ( 0.442 1.762 0.165) 1.824 4.609 ( -0.366 2.535 2.829) 3.816 4.638 ( -1.611 1.351 0.648) 2.200 4.654 ( -1.531 1.485 1.797) 2.789 4.753 ( -0.321 4.019 0.723) 4.096 4.797 ( 0.390 3.875 -0.352) 3.911 4.866 ( -1.518 1.283 -2.083) 2.879 5.008 ( 0.588 -1.563 2.880) 3.329 5.064 ( -1.177 -6.663 2.077) 7.077 5.125 ( -0.739 0.700 5.777) 5.866 5.161 ( -0.744 -0.665 3.685) 3.818 5.479 ( -1.014 -0.101 -1.819) 2.085 5.523 ( 0.889 1.502 -0.146) 1.751 5.626 ( 1.410 -1.236 2.980) 3.521 5.667 ( 2.651 -0.228 -4.341) 5.092 5.703 ( 1.621 1.206 -3.804) 4.307 5.887 ( -7.292 5.681 1.676) 9.394 6.000 ( 1.432 -0.976 -6.731) 6.951 6.122 ( -1.396 4.244 -4.957) 6.674 6.276 ( 5.006 -2.139 1.701) 5.703 6.363 ( 3.641 -2.531 -0.611) 4.476 6.392 ( 0.718 -1.035 0.083) 1.263 6.458 ( 1.415 -2.086 -3.134) 4.022 6.607 ( -1.900 -2.593 3.199) 4.535 6.670 ( 0.023 -1.178 0.354) 1.230 6.807 ( -0.679 2.933 3.035) 4.275 6.880 ( 1.690 4.435 0.432) 4.766 6.992 ( 1.622 1.686 4.587) 5.149 7.115 ( 0.408 -0.582 -0.266) 0.759 7.217 ( 0.054 2.082 -0.684) 2.192 7.295 ( 1.322 1.303 -1.460) 2.361 7.373 ( -0.551 0.579 2.236) 2.374 7.407 ( -0.303 0.744 -0.125) 0.813 7.485 ( -1.551 1.084 -2.101) 2.827 7.522 ( -0.006 0.337 -1.645) 1.679 7.620 ( -2.850 -1.057 2.330) 3.830 7.678 ( -1.985 1.050 0.168) 2.252 7.709 ( 0.155 -2.602 -1.636) 3.077 7.835 ( -0.145 1.280 -4.203) 4.396 8.011 ( 1.750 -6.979 3.653) 8.069 8.083 ( 0.557 -6.288 0.437) 6.328 8.238 ( 0.210 -0.722 -6.610) 6.653 8.285 ( -0.128 -1.761 -4.614) 4.940 8.700 ( 1.710 1.994 0.867) 2.766 8.727 ( 1.374 3.142 -0.694) 3.499 8.891 ( -2.510 3.642 -1.554) 4.689 8.902 ( -3.253 4.732 -2.754) 6.368 13.274 ( 2.102 2.350 1.368) 3.436 13.327 ( 2.122 1.953 -0.620) 2.950 13.419 ( -2.045 2.780 -0.223) 3.458 13.468 ( -2.756 0.948 -1.585) 3.317 13.768 ( -0.835 1.158 1.584) 2.133 13.789 ( -1.050 0.924 3.339) 3.620 13.878 ( 3.363 1.702 -3.193) 4.939 14.082 ( -4.228 -2.177 -8.242) 9.515 15.576 ( 3.347 -0.672 -0.165) 3.418 15.632 ( 5.112 -1.410 -2.807) 6.001 15.724 ( -1.255 0.580 -2.836) 3.155 15.805 ( -1.305 -0.252 -5.403) 5.564 15.875 ( 0.454 0.769 0.276) 0.935 15.933 ( 1.859 0.423 -2.615) 3.237 15.977 ( -1.029 3.841 0.389) 3.995 16.071 ( -2.404 4.928 -2.793) 6.153 16.483 ( 1.294 -0.417 2.289) 2.662 16.495 ( 1.552 -0.910 1.626) 2.425 16.578 ( -2.160 0.697 1.469) 2.703 16.599 ( -2.104 0.927 0.396) 2.333 16.857 ( 2.147 -0.732 10.122) 10.373 16.949 ( -1.412 -4.311 7.422) 8.699 17.093 ( 2.148 -5.816 1.767) 6.447 17.219 ( -2.816 -2.401 -4.167) 5.573 ======================= Grid point 97 (36/60) ======================= q-point: (-0.50 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( -0.000 -0.343 10.965) 10.970 1.160 ( 0.000 -2.704 12.163) 12.460 1.341 ( 0.000 5.565 10.515) 11.897 1.375 ( 0.000 2.355 11.562) 11.799 1.637 ( -0.000 0.766 -6.865) 6.908 1.676 ( -0.000 2.090 -7.438) 7.726 1.731 ( -0.000 3.838 -0.729) 3.907 1.764 ( 0.000 2.200 -7.531) 7.846 1.903 ( -0.000 3.558 6.947) 7.805 1.920 ( 0.000 5.239 13.024) 14.038 2.148 ( -0.000 0.122 6.913) 6.914 2.187 ( 0.000 1.950 1.808) 2.659 2.233 ( 0.000 -4.843 -5.767) 7.531 2.351 ( 0.000 1.268 0.398) 1.329 2.413 ( 0.000 -2.937 0.612) 3.000 2.500 ( 0.000 -7.019 -2.263) 7.375 2.562 ( 0.000 0.531 -0.564) 0.775 2.643 ( 0.000 2.425 -1.643) 2.929 2.659 ( 0.000 3.223 -3.712) 4.916 2.752 ( 0.000 0.965 -5.969) 6.047 2.773 ( 0.000 -1.687 1.766) 2.443 2.880 ( 0.000 1.613 0.107) 1.616 2.946 ( 0.000 -2.005 -5.083) 5.464 3.009 ( 0.000 0.401 -2.616) 2.646 3.365 ( 0.000 -8.171 4.107) 9.145 3.457 ( 0.000 -4.926 2.696) 5.615 3.500 ( -0.000 -5.045 -2.300) 5.545 3.580 ( 0.000 -3.949 -2.549) 4.700 3.741 ( 0.000 -3.952 7.316) 8.315 3.789 ( 0.000 -2.117 5.248) 5.659 3.981 ( 0.000 -4.272 -3.113) 5.286 3.986 ( -0.000 -4.041 -2.704) 4.862 4.090 ( 0.000 -2.109 5.811) 6.181 4.135 ( -0.000 -0.715 5.944) 5.987 4.311 ( -0.000 -1.434 -3.012) 3.335 4.331 ( 0.000 -0.806 -1.338) 1.562 4.479 ( 0.000 0.412 2.243) 2.281 4.556 ( 0.000 1.847 1.704) 2.513 4.601 ( 0.000 1.071 0.672) 1.264 4.613 ( 0.000 0.921 -0.659) 1.133 4.645 ( 0.000 2.454 2.286) 3.354 4.744 ( 0.000 5.539 2.234) 5.972 4.820 ( 0.000 4.231 -0.616) 4.276 4.830 ( 0.000 2.050 -2.042) 2.893 5.019 ( 0.000 -3.420 4.213) 5.426 5.047 ( 0.000 -5.266 3.245) 6.186 5.122 ( 0.000 -0.573 3.736) 3.780 5.148 ( 0.000 -0.579 2.877) 2.935 5.472 ( 0.000 0.354 -1.672) 1.709 5.509 ( 0.000 3.022 0.489) 3.061 5.698 ( -0.000 2.756 -3.983) 4.844 5.700 ( 0.000 1.395 -6.461) 6.610 5.741 ( -0.000 2.007 5.270) 5.639 5.751 ( 0.000 1.240 3.699) 3.901 6.021 ( 0.000 -1.200 -4.675) 4.826 6.094 ( 0.000 0.373 -7.733) 7.742 6.370 ( -0.000 -0.947 0.655) 1.152 6.378 ( 0.000 -2.876 0.345) 2.896 6.428 ( 0.000 -0.307 -1.902) 1.927 6.458 ( -0.000 -2.916 -2.684) 3.963 6.580 ( 0.000 -4.176 3.753) 5.614 6.666 ( 0.000 -2.393 -0.143) 2.397 6.796 ( 0.000 1.896 3.073) 3.611 6.890 ( 0.000 3.137 2.001) 3.721 7.046 ( 0.000 6.176 2.608) 6.704 7.092 ( 0.000 2.210 3.244) 3.925 7.265 ( -0.000 0.048 -1.424) 1.425 7.270 ( 0.000 1.236 -3.676) 3.878 7.371 ( 0.000 0.051 2.817) 2.818 7.407 ( 0.000 3.192 0.518) 3.234 7.462 ( 0.000 -0.043 -2.976) 2.977 7.519 ( 0.000 -0.174 -3.454) 3.459 7.580 ( 0.000 -1.544 5.998) 6.193 7.648 ( 0.000 0.162 0.363) 0.397 7.731 ( 0.000 -2.888 -1.999) 3.512 7.823 ( 0.000 1.545 -3.138) 3.498 8.038 ( 0.000 -6.857 1.033) 6.935 8.083 ( 0.000 -6.217 1.808) 6.474 8.244 ( 0.000 -2.630 -7.451) 7.902 8.281 ( 0.000 -0.866 -5.499) 5.567 8.728 ( 0.000 1.368 1.955) 2.386 8.753 ( 0.000 1.214 1.788) 2.161 8.851 ( 0.000 6.566 -2.955) 7.200 8.854 ( 0.000 6.020 -3.618) 7.023 13.319 ( 0.000 1.659 1.352) 2.141 13.356 ( 0.000 2.552 0.863) 2.694 13.398 ( -0.000 2.300 -1.871) 2.964 13.408 ( 0.000 1.870 -1.835) 2.620 13.757 ( 0.000 1.443 2.098) 2.547 13.775 ( 0.000 2.040 3.523) 4.071 13.960 ( 0.000 -0.790 -6.640) 6.686 13.989 ( -0.000 0.908 -5.772) 5.843 15.639 ( 0.000 -1.705 -1.292) 2.140 15.687 ( 0.000 0.345 -1.863) 1.895 15.720 ( 0.000 -2.696 -4.956) 5.642 15.766 ( 0.000 -0.908 -4.746) 4.832 15.885 ( 0.000 0.906 1.220) 1.520 15.949 ( 0.000 2.806 0.188) 2.813 15.982 ( 0.000 1.491 -2.796) 3.169 16.026 ( -0.000 4.776 -2.757) 5.515 16.518 ( -0.000 -0.451 2.076) 2.124 16.519 ( 0.000 -0.130 2.932) 2.935 16.540 ( 0.000 0.401 0.842) 0.933 16.559 ( -0.000 0.629 0.572) 0.850 16.900 ( 0.000 -1.876 9.065) 9.257 16.916 ( 0.000 -1.738 8.800) 8.970 17.140 ( -0.000 -5.261 -0.266) 5.268 17.163 ( 0.000 -3.516 -1.576) 3.854 ======================= Grid point 100 (37/60) ======================= q-point: ( 0.00 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( 0.000 15.083 7.352) 16.779 1.165 ( 0.000 12.083 10.739) 16.165 1.403 ( 0.000 3.964 -2.693) 4.792 1.443 ( 0.000 4.421 1.205) 4.583 1.496 ( 0.000 1.725 -2.872) 3.351 1.668 ( 0.000 2.540 -3.546) 4.362 1.877 ( 0.000 -4.317 -2.814) 5.153 1.931 ( 0.000 1.912 4.049) 4.478 1.965 ( 0.000 -0.387 7.048) 7.058 1.977 ( 0.000 5.513 6.353) 8.411 2.048 ( 0.000 -0.113 3.923) 3.924 2.191 ( 0.000 -2.434 -0.304) 2.453 2.237 ( 0.000 -2.660 0.748) 2.763 2.310 ( 0.000 -3.545 -0.756) 3.625 2.374 ( 0.000 1.176 1.521) 1.922 2.546 ( 0.000 -0.750 0.817) 1.109 2.585 ( 0.000 1.986 3.695) 4.195 2.660 ( 0.000 -0.104 -0.752) 0.759 2.707 ( 0.000 1.658 -0.849) 1.863 2.738 ( 0.000 4.089 -0.027) 4.089 2.820 ( 0.000 -1.960 -3.869) 4.337 2.840 ( 0.000 -2.868 -3.965) 4.894 2.964 ( 0.000 0.433 -2.502) 2.539 2.967 ( 0.000 -3.730 -2.616) 4.556 3.185 ( 0.000 -4.851 2.499) 5.457 3.271 ( 0.000 -3.657 -2.496) 4.427 3.366 ( 0.000 -6.201 3.918) 7.336 3.467 ( 0.000 -8.471 -0.042) 8.471 3.611 ( 0.000 -3.200 4.059) 5.168 3.777 ( 0.000 -8.751 1.993) 8.975 3.845 ( 0.000 -4.738 -0.080) 4.738 3.950 ( 0.000 -0.573 3.109) 3.162 4.087 ( 0.000 -3.955 -0.023) 3.955 4.180 ( 0.000 -0.892 6.071) 6.136 4.248 ( 0.000 -2.191 -3.762) 4.353 4.270 ( 0.000 -1.192 3.127) 3.346 4.491 ( 0.000 4.596 3.391) 5.712 4.574 ( 0.000 -0.033 -0.898) 0.899 4.652 ( 0.000 0.885 2.806) 2.942 4.677 ( 0.000 -0.388 1.390) 1.443 4.707 ( 0.000 1.601 0.587) 1.705 4.814 ( 0.000 -3.302 3.959) 5.155 4.840 ( 0.000 -0.296 -1.050) 1.091 4.852 ( 0.000 2.542 1.251) 2.833 4.973 ( 0.000 -0.848 -1.677) 1.880 4.984 ( 0.000 -2.662 -1.281) 2.954 5.134 ( 0.000 -0.910 4.700) 4.787 5.189 ( 0.000 0.161 1.030) 1.043 5.430 ( 0.000 0.305 2.979) 2.995 5.491 ( 0.000 -1.588 -1.900) 2.476 5.600 ( 0.000 1.326 -1.100) 1.723 5.692 ( 0.000 0.342 -1.606) 1.642 5.712 ( 0.000 3.806 0.621) 3.856 5.918 ( 0.000 -1.770 -6.695) 6.925 6.130 ( 0.000 0.828 -2.001) 2.166 6.193 ( 0.000 1.138 0.978) 1.501 6.237 ( 0.000 -1.668 -2.494) 3.000 6.278 ( 0.000 1.018 -0.715) 1.244 6.364 ( 0.000 1.784 3.817) 4.214 6.426 ( 0.000 2.717 -0.329) 2.737 6.644 ( 0.000 -0.085 -0.263) 0.276 6.644 ( 0.000 0.285 -0.378) 0.473 6.896 ( 0.000 2.969 2.979) 4.206 6.905 ( 0.000 -1.098 3.103) 3.292 6.983 ( 0.000 4.526 4.944) 6.703 7.114 ( 0.000 1.353 1.883) 2.319 7.264 ( 0.000 -0.664 1.233) 1.401 7.279 ( 0.000 1.570 -1.073) 1.902 7.393 ( 0.000 0.308 0.909) 0.960 7.397 ( 0.000 -2.060 1.486) 2.540 7.529 ( 0.000 2.410 -3.514) 4.261 7.544 ( 0.000 1.692 -1.047) 1.990 7.647 ( 0.000 -1.074 -3.014) 3.200 7.661 ( 0.000 0.051 -0.026) 0.058 7.803 ( 0.000 2.713 -3.076) 4.101 7.826 ( 0.000 -1.046 -4.703) 4.818 7.873 ( 0.000 -2.433 4.291) 4.932 7.956 ( 0.000 -3.967 2.278) 4.575 8.229 ( 0.000 -1.561 -5.813) 6.019 8.233 ( 0.000 -2.747 -5.645) 6.278 8.730 ( 0.000 2.264 1.838) 2.916 8.739 ( 0.000 -0.458 0.280) 0.537 8.990 ( 0.000 3.578 -3.109) 4.740 9.001 ( 0.000 1.664 -5.176) 5.437 13.315 ( 0.000 3.186 1.573) 3.553 13.353 ( 0.000 2.425 0.386) 2.455 13.506 ( 0.000 3.335 -1.573) 3.688 13.520 ( 0.000 1.338 -1.231) 1.818 13.778 ( 0.000 0.455 1.276) 1.355 13.832 ( 0.000 1.162 -0.159) 1.172 13.900 ( 0.000 3.331 -0.519) 3.371 14.048 ( 0.000 -3.610 -7.197) 8.052 15.553 ( 0.000 0.929 0.165) 0.944 15.570 ( 0.000 1.045 -0.659) 1.236 15.746 ( 0.000 -0.207 -2.882) 2.889 15.812 ( 0.000 -1.160 -6.264) 6.371 15.904 ( 0.000 1.585 -0.668) 1.720 15.914 ( 0.000 0.901 -1.906) 2.108 16.075 ( 0.000 3.501 0.828) 3.598 16.214 ( 0.000 4.401 -3.559) 5.660 16.452 ( 0.000 -0.531 2.452) 2.509 16.454 ( 0.000 -0.607 2.011) 2.100 16.630 ( 0.000 1.267 1.670) 2.096 16.652 ( 0.000 1.447 0.164) 1.457 16.797 ( 0.000 -3.516 6.436) 7.334 16.822 ( 0.000 -6.745 5.412) 8.648 16.949 ( 0.000 -3.916 6.086) 7.237 17.192 ( 0.000 -3.898 -3.772) 5.424 ======================= Grid point 101 (38/60) ======================= q-point: ( 0.25 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( 1.445 10.496 10.003) 14.571 1.273 ( 2.183 6.509 9.651) 11.844 1.404 ( 0.114 3.060 2.169) 3.752 1.475 ( 2.693 3.339 0.785) 4.361 1.557 ( 3.807 5.121 1.163) 6.487 1.677 ( 3.238 4.486 -5.717) 7.956 1.821 ( -4.560 -0.524 -1.591) 4.858 1.876 ( -1.559 -0.546 1.355) 2.136 1.984 ( 0.693 0.625 6.080) 6.152 2.011 ( -0.172 3.540 0.752) 3.623 2.060 ( -0.066 -1.704 -3.674) 4.050 2.165 ( 0.092 -2.986 3.132) 4.328 2.250 ( 0.777 -1.351 2.479) 2.928 2.314 ( -0.234 -1.773 0.950) 2.025 2.360 ( -0.464 -0.675 1.871) 2.043 2.498 ( -4.408 -1.530 2.276) 5.191 2.593 ( 1.143 3.323 2.834) 4.515 2.674 ( 0.620 0.863 -1.020) 1.473 2.725 ( 0.923 0.964 0.042) 1.335 2.732 ( 0.115 2.191 -0.398) 2.229 2.800 ( -2.408 -1.588 -3.689) 4.682 2.846 ( 1.824 -1.086 -3.794) 4.347 2.918 ( -0.894 0.030 -1.112) 1.427 3.005 ( -0.686 -3.438 -3.161) 4.720 3.225 ( 2.198 -4.295 2.451) 5.412 3.296 ( 1.388 -4.296 1.339) 4.709 3.348 ( 1.096 -7.131 0.866) 7.266 3.482 ( -0.228 -6.824 -2.237) 7.185 3.619 ( 1.311 -4.138 5.191) 6.766 3.765 ( -1.433 -5.680 4.277) 7.253 3.843 ( 0.881 -4.214 -2.638) 5.049 3.955 ( -0.602 -1.328 -0.405) 1.514 4.048 ( -1.923 -3.055 3.737) 5.196 4.143 ( -2.899 -1.756 7.295) 8.044 4.258 ( 0.720 -2.107 -2.969) 3.711 4.293 ( 1.140 -1.963 1.387) 2.660 4.503 ( 0.975 4.156 2.285) 4.842 4.589 ( 1.355 0.523 0.507) 1.539 4.622 ( -1.968 0.531 2.616) 3.317 4.659 ( -1.406 0.230 0.266) 1.450 4.708 ( -0.453 1.713 0.328) 1.802 4.814 ( -0.764 -2.156 0.631) 2.373 4.831 ( 0.457 -0.321 1.037) 1.177 4.867 ( 0.774 -0.088 1.489) 1.681 4.946 ( -0.380 -1.302 0.470) 1.435 5.003 ( -0.036 0.085 -0.864) 0.869 5.118 ( -0.989 -1.459 2.583) 3.127 5.148 ( -2.263 -0.100 0.718) 2.376 5.488 ( 0.710 0.990 1.141) 1.669 5.554 ( 8.507 1.215 1.697) 8.759 5.637 ( -1.011 1.630 1.282) 2.307 5.676 ( 2.889 0.784 -2.665) 4.008 5.728 ( 1.292 1.495 -2.119) 2.898 5.958 ( 1.329 -0.691 -4.952) 5.174 5.995 ( -7.803 2.609 0.170) 8.229 6.189 ( -4.916 0.968 -2.182) 5.465 6.238 ( 1.511 -1.404 -0.783) 2.206 6.298 ( 3.876 -2.862 -1.279) 4.985 6.382 ( 0.795 -1.257 1.812) 2.345 6.444 ( 0.462 2.518 -1.639) 3.040 6.578 ( -3.224 -0.527 1.632) 3.652 6.662 ( -0.388 -0.046 -1.345) 1.401 6.833 ( -2.141 0.274 3.662) 4.251 6.931 ( -0.634 0.967 -0.142) 1.165 7.055 ( 4.818 2.634 6.192) 8.276 7.131 ( 1.530 1.772 4.540) 5.108 7.247 ( 0.173 0.732 1.264) 1.471 7.313 ( 1.046 -0.165 0.097) 1.064 7.375 ( 0.369 0.206 0.768) 0.876 7.418 ( 0.530 -0.365 0.981) 1.173 7.508 ( -1.819 1.192 -3.657) 4.255 7.538 ( -0.945 2.960 -1.720) 3.552 7.617 ( -1.521 0.379 -0.784) 1.752 7.684 ( 0.203 0.740 0.421) 0.875 7.712 ( -3.301 1.372 -1.149) 3.755 7.854 ( 1.008 0.301 -5.977) 6.069 7.915 ( 1.947 -2.053 1.603) 3.252 7.973 ( 1.092 -3.543 2.979) 4.756 8.195 ( -1.637 -2.796 -7.219) 7.912 8.244 ( -0.042 -2.381 -5.922) 6.383 8.739 ( 0.712 1.052 2.242) 2.576 8.753 ( 1.182 0.580 2.072) 2.456 8.974 ( -1.137 3.240 -4.306) 5.508 8.986 ( -1.227 3.096 -5.244) 6.212 13.333 ( 1.729 2.969 1.602) 3.791 13.380 ( 2.209 2.708 -0.166) 3.498 13.471 ( -2.412 1.597 -1.319) 3.179 13.507 ( -1.776 3.085 -2.240) 4.205 13.792 ( 0.887 1.122 1.979) 2.442 13.820 ( -0.500 1.724 0.985) 2.047 13.920 ( 1.500 2.001 -2.659) 3.650 14.041 ( -0.856 -1.143 -6.443) 6.599 15.566 ( 1.686 -0.155 0.239) 1.710 15.608 ( 3.031 -0.672 -1.847) 3.612 15.723 ( -2.083 -0.631 -1.994) 2.952 15.786 ( -2.258 -1.446 -5.027) 5.697 15.901 ( 0.497 1.345 -0.505) 1.520 15.954 ( 2.577 1.058 -2.139) 3.512 16.050 ( -2.017 2.865 0.193) 3.509 16.175 ( -2.856 4.482 -3.638) 6.440 16.473 ( 1.748 -0.728 2.338) 3.009 16.480 ( 2.094 0.053 2.160) 3.008 16.590 ( -2.659 0.205 1.697) 3.161 16.617 ( -3.067 0.510 0.427) 3.139 16.812 ( 2.400 -3.784 7.315) 8.578 16.887 ( 2.199 -0.743 5.879) 6.321 16.952 ( 1.630 -6.551 3.687) 7.692 17.154 ( -3.357 -3.658 -2.634) 5.620 ======================= Grid point 102 (39/60) ======================= q-point: (-0.50 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( -0.000 3.525 10.322) 10.907 1.184 ( 0.000 4.310 9.773) 10.681 1.440 ( 0.000 3.774 7.651) 8.531 1.476 ( -0.000 5.991 5.394) 8.062 1.657 ( 0.000 1.336 -1.659) 2.130 1.706 ( -0.000 1.117 -5.115) 5.236 1.815 ( -0.000 2.774 -4.198) 5.031 1.818 ( 0.000 3.682 -1.219) 3.879 1.982 ( 0.000 2.566 0.371) 2.593 1.996 ( 0.000 0.775 2.621) 2.733 2.052 ( -0.000 -5.383 -4.904) 7.282 2.185 ( 0.000 -1.798 -2.781) 3.311 2.242 ( 0.000 2.706 3.954) 4.791 2.343 ( 0.000 -4.248 3.395) 5.438 2.366 ( 0.000 -2.344 4.639) 5.198 2.406 ( 0.000 0.270 3.944) 3.953 2.614 ( 0.000 4.171 2.392) 4.808 2.681 ( 0.000 0.599 -1.376) 1.500 2.724 ( 0.000 2.077 0.347) 2.106 2.742 ( 0.000 -0.950 -3.868) 3.983 2.768 ( 0.000 1.693 0.273) 1.715 2.881 ( 0.000 -1.593 -1.002) 1.882 2.917 ( 0.000 -0.365 -4.421) 4.436 2.975 ( 0.000 -3.775 -1.920) 4.235 3.230 ( 0.000 -3.957 5.117) 6.469 3.323 ( 0.000 -6.865 2.788) 7.409 3.400 ( 0.000 -3.867 -3.237) 5.043 3.454 ( 0.000 -7.343 -2.640) 7.803 3.649 ( 0.000 -4.691 5.357) 7.121 3.737 ( 0.000 -2.705 5.179) 5.843 3.891 ( -0.000 -3.346 -2.551) 4.208 3.901 ( 0.000 -3.221 -5.169) 6.090 4.052 ( 0.000 -1.175 6.345) 6.453 4.091 ( -0.000 -3.028 9.350) 9.828 4.268 ( -0.000 -2.264 -2.963) 3.729 4.302 ( 0.000 -2.207 0.714) 2.319 4.519 ( 0.000 3.310 1.685) 3.715 4.593 ( 0.000 1.513 0.992) 1.809 4.621 ( 0.000 0.801 1.516) 1.715 4.634 ( -0.000 0.362 2.040) 2.072 4.691 ( 0.000 1.697 -1.922) 2.564 4.810 ( 0.000 -3.880 -0.253) 3.888 4.831 ( 0.000 1.390 0.959) 1.689 4.883 ( 0.000 -2.040 1.690) 2.649 4.951 ( 0.000 0.646 2.792) 2.866 4.993 ( -0.000 0.632 0.334) 0.715 5.110 ( 0.000 -2.771 -0.789) 2.881 5.119 ( 0.000 0.429 1.152) 1.229 5.506 ( 0.000 2.801 1.326) 3.099 5.587 ( 0.000 3.925 2.226) 4.512 5.702 ( 0.000 -0.846 -2.898) 3.019 5.754 ( 0.000 1.822 -2.270) 2.911 5.778 ( -0.000 1.889 1.737) 2.567 5.795 ( -0.000 2.549 2.608) 3.647 6.020 ( 0.000 0.654 -4.347) 4.396 6.076 ( -0.000 -1.874 -5.960) 6.248 6.305 ( 0.000 -2.801 2.319) 3.636 6.348 ( 0.000 -1.477 -0.543) 1.573 6.367 ( 0.000 -4.781 -1.717) 5.080 6.444 ( 0.000 1.010 -3.365) 3.513 6.538 ( 0.000 -0.145 2.960) 2.964 6.652 ( 0.000 0.121 -1.425) 1.430 6.811 ( 0.000 0.222 3.242) 3.249 6.917 ( 0.000 -0.010 -0.582) 0.582 7.106 ( 0.000 -0.109 4.771) 4.773 7.157 ( 0.000 2.319 8.570) 8.878 7.267 ( 0.000 -0.306 3.433) 3.447 7.319 ( 0.000 2.313 -2.189) 3.184 7.390 ( 0.000 2.749 1.761) 3.265 7.418 ( 0.000 -3.601 0.832) 3.696 7.479 ( 0.000 1.844 -3.887) 4.302 7.517 ( -0.000 4.260 -1.361) 4.472 7.612 ( 0.000 2.920 1.835) 3.448 7.633 ( 0.000 0.046 -2.494) 2.494 7.721 ( 0.000 0.795 -2.280) 2.415 7.862 ( 0.000 1.569 -3.781) 4.093 7.940 ( 0.000 -2.553 0.343) 2.576 7.984 ( 0.000 -2.922 3.479) 4.544 8.176 ( 0.000 -3.599 -8.870) 9.572 8.241 ( 0.000 -2.720 -6.379) 6.935 8.750 ( 0.000 0.734 3.491) 3.568 8.770 ( 0.000 0.538 3.614) 3.654 8.962 ( 0.000 3.707 -5.938) 7.000 8.965 ( 0.000 3.881 -5.493) 6.726 13.370 ( 0.000 2.830 1.577) 3.240 13.406 ( 0.000 2.026 0.281) 2.045 13.446 ( 0.000 1.710 -2.526) 3.050 13.466 ( 0.000 3.774 -2.393) 4.469 13.801 ( 0.000 2.551 0.708) 2.648 13.817 ( 0.000 1.704 3.839) 4.201 13.945 ( 0.000 -0.533 -5.684) 5.709 14.022 ( 0.000 2.407 -4.784) 5.356 15.602 ( 0.000 -1.826 -0.623) 1.930 15.663 ( 0.000 -2.643 -3.751) 4.588 15.683 ( 0.000 -0.608 -0.354) 0.703 15.743 ( 0.000 -1.220 -3.082) 3.315 15.911 ( 0.000 1.182 -0.127) 1.189 16.004 ( 0.000 0.316 -3.232) 3.247 16.007 ( -0.000 2.511 0.762) 2.624 16.136 ( -0.000 5.276 -4.254) 6.777 16.509 ( 0.000 -0.410 2.791) 2.821 16.515 ( -0.000 -0.330 3.372) 3.388 16.551 ( 0.000 0.462 0.246) 0.524 16.564 ( -0.000 -0.273 0.541) 0.606 16.867 ( 0.000 -2.597 7.048) 7.512 16.870 ( -0.000 -0.720 7.729) 7.762 17.014 ( 0.000 -5.983 0.806) 6.037 17.087 ( 0.000 -3.296 -1.155) 3.492 ======================= Grid point 105 (40/60) ======================= q-point: ( 0.00 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( 0.000 6.987 6.351) 9.442 1.382 ( 0.000 10.754 2.795) 11.111 1.511 ( 0.000 8.185 1.595) 8.339 1.550 ( 0.000 3.288 -1.351) 3.555 1.608 ( 0.000 8.480 -0.639) 8.504 1.726 ( 0.000 1.356 -4.922) 5.106 1.797 ( 0.000 0.252 3.785) 3.794 1.877 ( 0.000 -4.250 -0.612) 4.294 1.970 ( 0.000 -0.042 -0.756) 0.757 1.981 ( 0.000 -4.399 -0.497) 4.427 2.043 ( 0.000 -1.405 4.692) 4.898 2.126 ( 0.000 -8.279 0.486) 8.293 2.194 ( 0.000 0.902 0.976) 1.329 2.231 ( 0.000 -2.789 1.349) 3.098 2.411 ( 0.000 1.124 3.708) 3.875 2.480 ( 0.000 -4.398 2.790) 5.209 2.647 ( 0.000 2.415 3.037) 3.880 2.666 ( 0.000 0.823 1.239) 1.487 2.722 ( 0.000 1.995 -0.709) 2.117 2.743 ( 0.000 -1.915 -1.138) 2.228 2.843 ( 0.000 1.051 -2.651) 2.852 2.851 ( 0.000 3.267 -2.459) 4.089 2.905 ( 0.000 -1.622 -0.444) 1.681 2.948 ( 0.000 -2.210 -2.824) 3.586 3.095 ( 0.000 -3.108 1.259) 3.353 3.185 ( 0.000 -4.603 -3.557) 5.817 3.280 ( 0.000 -2.289 3.392) 4.092 3.338 ( 0.000 -4.318 2.122) 4.811 3.581 ( 0.000 0.176 4.690) 4.693 3.621 ( 0.000 -3.886 6.439) 7.521 3.799 ( 0.000 -0.054 -1.962) 1.963 3.945 ( 0.000 -1.530 1.763) 2.335 4.007 ( 0.000 -1.483 0.438) 1.546 4.136 ( 0.000 -2.912 6.007) 6.675 4.214 ( 0.000 -1.402 -1.801) 2.282 4.248 ( 0.000 -1.396 1.436) 2.003 4.550 ( 0.000 -1.478 -1.427) 2.054 4.558 ( 0.000 1.300 2.870) 3.150 4.647 ( 0.000 -1.385 -0.629) 1.521 4.665 ( 0.000 -0.934 2.741) 2.896 4.713 ( 0.000 -0.031 0.928) 0.929 4.717 ( 0.000 -2.480 4.135) 4.822 4.858 ( 0.000 0.009 -1.020) 1.020 4.885 ( 0.000 -2.314 1.806) 2.936 4.933 ( 0.000 1.898 -0.994) 2.143 4.990 ( 0.000 1.034 -1.874) 2.140 5.129 ( 0.000 0.248 1.832) 1.849 5.167 ( 0.000 -1.771 0.516) 1.845 5.461 ( 0.000 1.947 1.573) 2.503 5.479 ( 0.000 0.322 -1.360) 1.397 5.624 ( 0.000 0.701 -0.116) 0.710 5.673 ( 0.000 -1.774 1.352) 2.231 5.802 ( 0.000 4.512 1.281) 4.690 5.905 ( 0.000 -0.213 -3.513) 3.520 6.136 ( 0.000 -0.091 -2.407) 2.408 6.157 ( 0.000 -1.814 -0.746) 1.961 6.231 ( 0.000 -0.172 -0.825) 0.842 6.256 ( 0.000 -1.431 0.830) 1.654 6.437 ( 0.000 3.367 2.458) 4.168 6.486 ( 0.000 1.658 0.376) 1.700 6.640 ( 0.000 0.413 -0.916) 1.005 6.659 ( 0.000 0.404 -1.840) 1.884 6.900 ( 0.000 0.634 3.205) 3.267 6.931 ( 0.000 0.436 2.305) 2.346 7.058 ( 0.000 2.570 5.640) 6.198 7.132 ( 0.000 -0.486 5.975) 5.995 7.256 ( 0.000 0.763 -0.992) 1.251 7.304 ( 0.000 0.272 -2.304) 2.320 7.371 ( 0.000 0.427 3.698) 3.723 7.403 ( 0.000 0.748 2.289) 2.408 7.560 ( 0.000 -0.094 0.592) 0.600 7.589 ( 0.000 1.116 -5.852) 5.957 7.623 ( 0.000 -0.093 -1.908) 1.910 7.655 ( 0.000 -0.423 -1.261) 1.330 7.808 ( 0.000 -0.195 -2.359) 2.367 7.824 ( 0.000 -1.132 -3.332) 3.519 7.880 ( 0.000 2.459 -4.516) 5.142 7.942 ( 0.000 2.243 1.444) 2.667 8.164 ( 0.000 -3.594 -6.519) 7.444 8.182 ( 0.000 -2.768 -3.652) 4.582 8.734 ( 0.000 0.336 2.909) 2.928 8.759 ( 0.000 0.411 2.964) 2.993 9.024 ( 0.000 0.851 -5.527) 5.592 9.039 ( 0.000 1.028 -4.736) 4.847 13.372 ( 0.000 2.141 1.645) 2.700 13.392 ( 0.000 1.196 1.065) 1.601 13.552 ( 0.000 1.661 -1.512) 2.246 13.565 ( 0.000 1.964 -2.741) 3.372 13.794 ( 0.000 0.936 -0.626) 1.126 13.836 ( 0.000 -0.802 -0.716) 1.075 13.964 ( 0.000 2.556 -0.799) 2.678 14.004 ( 0.000 -0.611 -3.714) 3.764 15.585 ( 0.000 2.088 0.256) 2.104 15.604 ( 0.000 2.142 -1.111) 2.413 15.729 ( 0.000 -1.284 -1.232) 1.779 15.773 ( 0.000 -2.441 -4.494) 5.114 15.926 ( 0.000 0.522 -1.080) 1.199 15.928 ( 0.000 0.360 -1.983) 2.015 16.134 ( 0.000 2.449 -0.046) 2.450 16.245 ( 0.000 -1.462 -2.799) 3.157 16.457 ( 0.000 1.029 2.472) 2.677 16.469 ( 0.000 1.776 1.229) 2.159 16.639 ( 0.000 -1.261 4.879) 5.039 16.670 ( 0.000 -0.677 1.910) 2.026 16.708 ( 0.000 -3.133 2.595) 4.068 16.709 ( 0.000 -2.492 1.035) 2.699 16.939 ( 0.000 2.053 5.852) 6.202 17.101 ( 0.000 -4.626 -1.297) 4.804 ======================= Grid point 106 (41/60) ======================= q-point: ( 0.25 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( -2.624 10.564 4.594) 11.815 1.384 ( -2.510 5.287 6.363) 8.646 1.485 ( -0.851 3.901 -2.313) 4.614 1.577 ( 0.536 5.347 4.907) 7.277 1.665 ( 2.657 3.346 -1.779) 4.628 1.738 ( -0.933 -1.872 -0.409) 2.131 1.818 ( 3.370 5.581 0.158) 6.522 1.850 ( -0.721 -2.120 3.747) 4.365 1.926 ( 0.176 -2.644 -4.906) 5.576 2.024 ( -0.454 -1.658 -3.460) 3.864 2.072 ( 1.628 -0.766 0.264) 1.819 2.145 ( -0.103 -0.766 1.503) 1.691 2.182 ( 2.108 -2.501 2.980) 4.425 2.243 ( 0.350 -4.298 1.485) 4.560 2.369 ( -3.064 -0.049 3.618) 4.741 2.437 ( -3.801 -3.986 2.257) 5.952 2.655 ( 1.093 1.321 1.936) 2.586 2.687 ( 1.151 0.473 0.890) 1.530 2.723 ( 0.095 0.509 -0.117) 0.531 2.742 ( -0.281 -1.046 -1.562) 1.900 2.800 ( -0.193 3.393 0.115) 3.401 2.868 ( -0.567 -0.778 -0.812) 1.259 2.916 ( -1.659 -3.268 -1.888) 4.123 2.931 ( 0.514 0.840 -2.730) 2.902 3.159 ( 3.591 -1.974 1.156) 4.258 3.203 ( -0.025 -3.945 2.671) 4.765 3.248 ( 1.713 -3.203 -1.118) 3.801 3.384 ( 1.018 -2.320 -1.369) 2.879 3.559 ( -0.168 -1.250 6.151) 6.279 3.658 ( 1.870 -3.497 6.851) 7.916 3.808 ( 1.184 0.473 -2.731) 3.014 3.933 ( -2.071 -1.967 -3.224) 4.307 4.000 ( 0.444 -0.496 6.605) 6.638 4.105 ( -2.614 -1.862 6.211) 6.991 4.219 ( 0.556 -1.338 -1.836) 2.339 4.255 ( 0.179 -1.829 1.265) 2.231 4.566 ( 1.647 0.579 -0.486) 1.812 4.583 ( 1.867 0.012 2.392) 3.035 4.626 ( -1.008 0.049 1.976) 2.219 4.666 ( -1.151 0.207 0.263) 1.198 4.704 ( 0.694 -1.469 0.975) 1.895 4.733 ( -0.097 -2.304 3.588) 4.265 4.815 ( -3.161 -1.044 -1.369) 3.599 4.848 ( -1.499 -2.151 1.455) 2.999 4.956 ( 2.081 1.008 -0.523) 2.370 5.004 ( -0.450 -0.212 -1.267) 1.361 5.114 ( -1.414 0.719 0.250) 1.606 5.138 ( -1.427 -0.575 -0.358) 1.579 5.520 ( 3.515 1.898 1.377) 4.225 5.572 ( 8.321 0.352 1.412) 8.447 5.651 ( 1.349 0.109 0.560) 1.464 5.689 ( 2.105 -0.149 -0.383) 2.144 5.779 ( -0.877 3.166 -0.678) 3.355 5.930 ( 1.375 -1.270 -2.604) 3.207 6.059 ( -7.660 3.072 -1.143) 8.332 6.163 ( -1.466 -2.045 -0.944) 2.687 6.211 ( -1.338 -1.260 -0.048) 1.839 6.247 ( 2.053 -2.409 -1.275) 3.412 6.393 ( -3.476 2.067 3.544) 5.377 6.486 ( -1.034 0.377 -0.316) 1.145 6.587 ( -2.746 1.553 -0.958) 3.297 6.657 ( -0.719 -0.665 -1.920) 2.156 6.842 ( -2.084 0.773 3.311) 3.988 6.933 ( -1.873 -0.463 -0.365) 1.964 7.089 ( 1.595 0.969 5.884) 6.172 7.144 ( 0.833 -0.926 8.694) 8.783 7.251 ( 0.192 0.284 0.863) 0.928 7.299 ( -0.217 -1.115 -0.861) 1.426 7.387 ( 1.482 0.860 2.270) 2.844 7.434 ( 2.319 2.653 1.310) 3.759 7.569 ( 0.293 3.316 -3.031) 4.502 7.596 ( 0.108 1.771 -3.300) 3.747 7.625 ( 0.143 0.664 -2.742) 2.825 7.684 ( 2.480 -1.125 -0.714) 2.815 7.743 ( -3.707 1.311 -0.011) 3.932 7.835 ( 0.526 -2.157 -4.157) 4.713 7.907 ( 1.863 1.915 -3.456) 4.368 7.971 ( 1.719 2.267 0.836) 2.966 8.128 ( -2.239 -3.530 -6.678) 7.879 8.186 ( -0.408 -3.043 -4.820) 5.715 8.745 ( 0.945 0.355 3.492) 3.635 8.768 ( 0.694 0.227 3.708) 3.779 9.013 ( -0.686 1.086 -5.913) 6.051 9.030 ( -0.841 0.926 -5.505) 5.646 13.385 ( 1.436 1.846 1.648) 2.861 13.426 ( 2.541 1.553 -0.277) 2.991 13.495 ( -3.009 0.881 -1.190) 3.353 13.571 ( -1.546 2.480 -3.326) 4.428 13.808 ( 1.856 0.313 1.997) 2.744 13.848 ( 0.612 0.994 -0.347) 1.218 13.950 ( -0.732 0.959 -2.371) 2.661 14.047 ( 2.583 1.288 -4.270) 5.154 15.572 ( -0.603 0.691 0.234) 0.946 15.608 ( 0.290 0.570 -1.505) 1.636 15.701 ( -2.219 -1.308 -0.201) 2.583 15.749 ( -2.027 -2.065 -3.233) 4.339 15.922 ( 0.366 0.558 -1.275) 1.439 15.965 ( 2.066 -0.030 -2.440) 3.198 16.092 ( -3.045 1.205 0.490) 3.311 16.240 ( -0.568 1.672 -4.522) 4.855 16.468 ( 1.316 0.448 2.798) 3.124 16.493 ( 1.671 0.980 1.532) 2.470 16.576 ( -3.090 -1.532 2.712) 4.387 16.608 ( -3.522 -1.208 1.265) 3.933 16.757 ( 4.291 -0.896 4.583) 6.342 16.824 ( 5.381 -3.726 2.043) 6.857 16.922 ( -1.384 2.078 5.351) 5.905 17.076 ( -2.268 -3.685 -0.997) 4.441 ======================= Grid point 107 (42/60) ======================= q-point: (-0.50 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( -0.000 7.806 5.753) 9.697 1.315 ( 0.000 7.448 6.768) 10.064 1.512 ( 0.000 2.528 1.988) 3.216 1.541 ( -0.000 -0.195 -2.969) 2.975 1.685 ( 0.000 1.078 3.914) 4.060 1.722 ( 0.000 0.815 2.096) 2.249 1.855 ( 0.000 -0.846 2.874) 2.996 1.895 ( 0.000 4.240 -3.296) 5.371 1.938 ( 0.000 -1.104 -4.329) 4.468 1.981 ( 0.000 -0.475 -0.194) 0.513 2.081 ( -0.000 3.502 -4.755) 5.906 2.158 ( 0.000 -0.547 -3.015) 3.064 2.227 ( 0.000 -4.177 2.051) 4.654 2.251 ( -0.000 -3.928 7.187) 8.191 2.319 ( 0.000 -2.063 3.258) 3.856 2.378 ( 0.000 -3.474 1.378) 3.737 2.677 ( -0.000 -0.278 -2.264) 2.281 2.692 ( 0.000 1.635 3.834) 4.168 2.729 ( 0.000 -0.223 -3.494) 3.501 2.732 ( 0.000 -0.651 2.082) 2.182 2.831 ( -0.000 3.858 0.449) 3.884 2.842 ( 0.000 -2.008 -0.385) 2.044 2.886 ( 0.000 -3.562 -0.436) 3.589 2.938 ( 0.000 1.713 -2.387) 2.938 3.174 ( 0.000 -1.912 5.251) 5.588 3.216 ( 0.000 -2.836 0.691) 2.919 3.310 ( 0.000 -5.695 -2.952) 6.414 3.366 ( 0.000 0.497 -2.559) 2.606 3.572 ( 0.000 -2.275 6.367) 6.761 3.677 ( -0.000 -2.879 7.068) 7.632 3.857 ( -0.000 -0.314 -2.161) 2.183 3.866 ( 0.000 -0.165 -5.235) 5.238 4.029 ( 0.000 -2.921 9.397) 9.840 4.053 ( -0.000 1.046 5.790) 5.883 4.230 ( -0.000 -1.293 -2.237) 2.584 4.252 ( 0.000 -1.950 1.397) 2.399 4.595 ( 0.000 3.237 0.546) 3.282 4.611 ( 0.000 0.255 2.994) 3.005 4.622 ( 0.000 -0.856 1.639) 1.849 4.639 ( 0.000 0.944 0.469) 1.054 4.708 ( -0.000 -0.727 -2.251) 2.366 4.725 ( 0.000 -2.830 1.762) 3.334 4.772 ( -0.000 -3.150 3.758) 4.903 4.844 ( 0.000 -2.440 0.337) 2.464 4.982 ( -0.000 -1.950 -1.820) 2.667 5.000 ( 0.000 2.031 0.535) 2.100 5.072 ( 0.000 -0.472 -1.810) 1.871 5.136 ( 0.000 0.843 -0.838) 1.189 5.572 ( 0.000 3.202 1.794) 3.670 5.649 ( -0.000 1.729 4.114) 4.462 5.675 ( 0.000 -1.613 -0.766) 1.786 5.786 ( 0.000 1.875 -0.437) 1.926 5.821 ( 0.000 1.621 -1.297) 2.076 5.837 ( 0.000 1.458 0.255) 1.480 6.023 ( 0.000 -0.551 -4.078) 4.115 6.028 ( -0.000 -2.377 -4.406) 5.006 6.282 ( 0.000 -2.539 0.766) 2.652 6.285 ( -0.000 0.631 4.078) 4.126 6.313 ( 0.000 -2.069 1.144) 2.364 6.453 ( 0.000 -0.314 -2.087) 2.111 6.562 ( 0.000 2.033 -0.563) 2.110 6.646 ( 0.000 -0.849 -1.908) 2.088 6.822 ( 0.000 0.976 2.772) 2.939 6.906 ( 0.000 -0.838 -0.454) 0.953 7.103 ( 0.000 -0.145 5.073) 5.075 7.152 ( 0.000 -1.493 10.621) 10.726 7.254 ( 0.000 -0.589 3.015) 3.072 7.297 ( 0.000 -2.535 -2.141) 3.318 7.426 ( 0.000 2.731 3.390) 4.353 7.466 ( 0.000 3.438 0.397) 3.461 7.545 ( -0.000 3.913 -2.076) 4.430 7.603 ( 0.000 3.200 -4.237) 5.309 7.642 ( 0.000 0.077 -4.582) 4.583 7.680 ( 0.000 3.532 0.182) 3.536 7.725 ( 0.000 -0.830 -1.284) 1.529 7.843 ( 0.000 -3.090 -2.088) 3.730 7.936 ( 0.000 2.188 -2.428) 3.269 7.990 ( 0.000 2.891 1.434) 3.227 8.098 ( 0.000 -3.956 -8.253) 9.153 8.176 ( 0.000 -3.381 -5.617) 6.556 8.760 ( 0.000 0.261 4.280) 4.288 8.777 ( 0.000 0.184 4.507) 4.511 9.008 ( -0.000 1.016 -6.622) 6.700 9.014 ( 0.000 1.117 -6.218) 6.318 13.423 ( 0.000 2.055 1.854) 2.768 13.436 ( 0.000 0.820 -0.793) 1.140 13.476 ( 0.000 1.082 -2.806) 3.008 13.534 ( 0.000 2.416 -2.210) 3.274 13.842 ( -0.000 0.792 5.016) 5.078 13.852 ( 0.000 2.130 -0.301) 2.151 13.939 ( 0.000 -0.084 -4.903) 4.903 14.078 ( 0.000 2.496 -4.715) 5.335 15.568 ( 0.000 -1.290 -0.034) 1.290 15.616 ( 0.000 -1.682 -2.494) 3.008 15.668 ( -0.000 -0.721 1.103) 1.318 15.717 ( 0.000 -1.136 -1.587) 1.952 15.928 ( 0.000 0.474 -1.260) 1.346 15.997 ( 0.000 -0.708 -3.538) 3.608 16.046 ( 0.000 1.238 1.325) 1.813 16.231 ( 0.000 3.603 -5.758) 6.792 16.503 ( 0.000 -0.184 3.252) 3.257 16.507 ( -0.000 -0.275 3.234) 3.245 16.545 ( 0.000 -1.434 1.358) 1.975 16.556 ( -0.000 0.092 0.012) 0.093 16.821 ( 0.000 -1.627 5.505) 5.740 16.873 ( 0.000 0.808 6.249) 6.301 16.917 ( 0.000 -3.078 0.835) 3.189 17.035 ( -0.000 -1.733 -0.740) 1.884 ======================= Grid point 110 (43/60) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( 0.000 -1.527 -0.157) 1.535 1.474 ( 0.000 1.527 -0.157) 1.535 1.619 ( 0.000 -0.340 0.704) 0.782 1.619 ( 0.000 0.340 0.704) 0.782 1.717 ( 0.000 -0.812 3.690) 3.778 1.717 ( 0.000 0.812 3.690) 3.778 1.850 ( 0.000 -0.003 1.009) 1.009 1.850 ( 0.000 0.003 1.009) 1.009 1.911 ( 0.000 -0.824 -5.371) 5.434 1.911 ( 0.000 0.824 -5.371) 5.434 2.017 ( 0.000 -0.340 4.659) 4.671 2.017 ( 0.000 0.340 4.659) 4.671 2.200 ( 0.000 -0.311 1.190) 1.230 2.200 ( 0.000 0.311 1.190) 1.230 2.420 ( 0.000 -0.770 1.663) 1.833 2.420 ( 0.000 0.770 1.663) 1.833 2.671 ( 0.000 -0.452 0.481) 0.660 2.671 ( 0.000 0.452 0.481) 0.660 2.747 ( 0.000 -1.582 -0.552) 1.676 2.747 ( 0.000 1.582 -0.552) 1.676 2.860 ( 0.000 -2.829 0.336) 2.849 2.860 ( 0.000 2.829 0.336) 2.849 2.908 ( 0.000 -0.028 -0.647) 0.648 2.908 ( 0.000 0.028 -0.647) 0.648 3.095 ( 0.000 -3.188 -2.697) 4.176 3.095 ( 0.000 3.188 -2.697) 4.176 3.273 ( 0.000 -0.970 3.080) 3.229 3.273 ( 0.000 0.970 3.080) 3.229 3.595 ( 0.000 -0.338 5.932) 5.941 3.595 ( 0.000 0.338 5.932) 5.941 3.854 ( 0.000 -4.978 -1.287) 5.142 3.854 ( 0.000 4.978 -1.287) 5.142 4.057 ( 0.000 -4.126 4.710) 6.261 4.057 ( 0.000 4.126 4.710) 6.261 4.213 ( 0.000 -1.405 0.201) 1.419 4.213 ( 0.000 1.405 0.201) 1.419 4.544 ( 0.000 -1.057 -1.542) 1.870 4.544 ( 0.000 1.057 -1.542) 1.870 4.642 ( 0.000 -0.838 2.701) 2.828 4.642 ( 0.000 0.838 2.701) 2.828 4.705 ( 0.000 -0.413 1.735) 1.784 4.705 ( 0.000 0.413 1.735) 1.784 4.854 ( 0.000 -0.026 0.084) 0.088 4.854 ( 0.000 0.026 0.084) 0.088 4.984 ( 0.000 -1.400 -0.690) 1.561 4.984 ( 0.000 1.400 -0.690) 1.561 5.138 ( 0.000 -0.577 1.039) 1.189 5.138 ( 0.000 0.577 1.039) 1.189 5.486 ( 0.000 -0.150 -0.314) 0.348 5.486 ( 0.000 0.150 -0.314) 0.348 5.640 ( 0.000 -1.158 0.892) 1.462 5.640 ( 0.000 1.158 0.892) 1.462 5.879 ( 0.000 -2.295 -0.055) 2.296 5.879 ( 0.000 2.295 -0.055) 2.296 6.135 ( 0.000 -0.173 -2.037) 2.044 6.135 ( 0.000 0.173 -2.037) 2.044 6.235 ( 0.000 -0.526 0.699) 0.875 6.235 ( 0.000 0.526 0.699) 0.875 6.486 ( 0.000 -1.198 1.654) 2.042 6.486 ( 0.000 1.198 1.654) 2.042 6.655 ( 0.000 -0.630 -1.820) 1.925 6.655 ( 0.000 0.630 -1.820) 1.925 6.922 ( 0.000 -0.587 1.993) 2.078 6.922 ( 0.000 0.587 1.993) 2.078 7.101 ( 0.000 -1.868 6.379) 6.646 7.101 ( 0.000 1.868 6.379) 6.646 7.287 ( 0.000 -1.566 -1.650) 2.275 7.287 ( 0.000 1.566 -1.650) 2.275 7.401 ( 0.000 -1.111 3.607) 3.775 7.401 ( 0.000 1.111 3.607) 3.775 7.565 ( 0.000 -1.205 -0.413) 1.274 7.565 ( 0.000 1.205 -0.413) 1.274 7.647 ( 0.000 -0.738 -3.995) 4.063 7.647 ( 0.000 0.738 -3.995) 4.063 7.805 ( 0.000 -0.061 -2.215) 2.216 7.805 ( 0.000 0.061 -2.215) 2.216 7.950 ( 0.000 -2.747 -5.624) 6.259 7.950 ( 0.000 2.747 -5.624) 6.259 8.130 ( 0.000 -1.126 -2.790) 3.009 8.130 ( 0.000 1.126 -2.790) 3.009 8.750 ( 0.000 -0.946 3.593) 3.715 8.750 ( 0.000 0.946 3.593) 3.715 9.040 ( 0.000 -0.596 -5.437) 5.469 9.040 ( 0.000 0.596 -5.437) 5.469 13.400 ( 0.000 -0.356 1.405) 1.449 13.400 ( 0.000 0.356 1.405) 1.449 13.579 ( 0.000 -0.196 -2.343) 2.351 13.579 ( 0.000 0.196 -2.343) 2.351 13.814 ( 0.000 -0.701 -1.344) 1.516 13.814 ( 0.000 0.702 -1.344) 1.516 13.998 ( 0.000 -0.298 -1.340) 1.373 13.998 ( 0.000 0.298 -1.340) 1.373 15.626 ( 0.000 -0.957 -0.798) 1.247 15.626 ( 0.000 0.957 -0.798) 1.247 15.723 ( 0.000 -1.569 -1.454) 2.139 15.723 ( 0.000 1.569 -1.454) 2.139 15.931 ( 0.000 -0.004 -1.730) 1.730 15.931 ( 0.000 0.004 -1.730) 1.730 16.189 ( 0.000 -2.511 -1.497) 2.923 16.189 ( 0.000 2.511 -1.497) 2.923 16.484 ( 0.000 -0.863 1.629) 1.844 16.484 ( 0.000 0.863 1.629) 1.844 16.623 ( 0.000 -1.163 5.019) 5.152 16.623 ( 0.000 1.163 5.019) 5.152 16.697 ( 0.000 -0.001 0.018) 0.018 16.697 ( 0.000 0.001 0.018) 0.018 17.007 ( 0.000 -4.162 2.005) 4.619 17.007 ( 0.000 4.162 2.005) 4.619 ======================= Grid point 112 (44/60) ======================= q-point: ( 0.25 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( -1.885 0.000 1.844) 2.637 1.457 ( -3.078 0.000 0.252) 3.089 1.561 ( -3.387 0.000 -1.088) 3.557 1.617 ( -5.261 0.000 0.456) 5.281 1.700 ( -1.046 0.000 4.481) 4.601 1.703 ( 2.269 -0.000 2.964) 3.733 1.847 ( 0.459 0.000 1.843) 1.899 1.856 ( 2.726 -0.000 -0.379) 2.752 1.929 ( 1.901 -0.000 -1.225) 2.261 1.989 ( 1.768 0.000 -0.703) 1.903 2.049 ( 3.918 0.000 1.846) 4.331 2.101 ( 5.624 0.000 -0.919) 5.699 2.190 ( -0.737 -0.000 3.154) 3.239 2.191 ( -0.839 0.000 0.007) 0.839 2.358 ( -4.163 0.000 2.290) 4.751 2.382 ( -4.125 0.000 -0.858) 4.214 2.664 ( 0.325 -0.000 -1.201) 1.244 2.684 ( 0.761 0.000 1.128) 1.361 2.737 ( -1.343 0.000 -0.342) 1.386 2.749 ( -0.591 0.000 0.587) 0.833 2.817 ( -1.890 0.000 0.579) 1.977 2.846 ( 0.292 0.000 -1.399) 1.429 2.917 ( -1.111 0.000 -0.911) 1.437 2.921 ( 2.000 -0.000 0.379) 2.036 3.146 ( 3.324 0.000 -2.531) 4.178 3.154 ( 2.248 0.000 3.431) 4.102 3.214 ( 0.354 0.000 -0.066) 0.360 3.363 ( 2.987 0.000 -0.339) 3.006 3.556 ( -1.317 0.000 6.572) 6.703 3.624 ( 1.182 0.000 7.316) 7.410 3.848 ( 0.321 0.000 -0.666) 0.739 3.871 ( 0.546 0.000 -4.057) 4.094 4.016 ( -2.145 0.000 7.645) 7.940 4.074 ( 0.001 0.000 4.600) 4.600 4.214 ( 0.184 0.000 -1.059) 1.075 4.224 ( 0.687 0.000 1.278) 1.451 4.567 ( 2.300 0.000 -2.116) 3.125 4.574 ( 2.086 -0.000 0.467) 2.138 4.641 ( 0.232 0.000 3.769) 3.776 4.648 ( 0.041 -0.000 1.032) 1.032 4.692 ( -0.435 0.000 0.686) 0.812 4.719 ( 0.025 0.000 2.401) 2.401 4.801 ( -3.167 0.000 2.155) 3.831 4.820 ( -2.959 0.000 -1.648) 3.387 4.979 ( 2.077 0.000 0.332) 2.104 4.987 ( -2.312 0.000 -1.140) 2.578 5.125 ( -2.719 0.000 -0.743) 2.819 5.132 ( 0.996 0.000 -0.433) 1.087 5.553 ( 5.427 0.000 0.555) 5.455 5.564 ( 5.671 0.000 1.408) 5.843 5.659 ( 1.698 0.000 2.002) 2.626 5.677 ( 3.935 -0.000 -1.340) 4.157 5.821 ( -2.244 0.000 -0.562) 2.314 5.913 ( 0.438 0.000 -1.522) 1.584 6.117 ( -4.291 0.000 -1.041) 4.415 6.119 ( -5.519 -0.000 -2.415) 6.024 6.193 ( -0.295 0.000 1.745) 1.770 6.220 ( 2.187 0.000 0.156) 2.193 6.425 ( -4.821 0.000 3.394) 5.896 6.478 ( -1.846 0.000 1.091) 2.144 6.618 ( -1.937 0.000 -3.071) 3.631 6.639 ( -1.315 0.000 -1.166) 1.757 6.855 ( -1.813 0.000 2.619) 3.185 6.924 ( -2.368 0.000 -0.579) 2.438 7.103 ( -0.073 0.000 4.519) 4.520 7.122 ( 1.145 -0.000 9.940) 10.005 7.267 ( -1.673 0.000 1.933) 2.556 7.271 ( -0.113 0.000 -1.657) 1.661 7.405 ( 2.561 0.000 2.530) 3.599 7.472 ( 3.154 0.000 0.975) 3.301 7.596 ( 1.630 0.000 -3.414) 3.783 7.622 ( 3.645 -0.000 0.225) 3.652 7.647 ( -0.516 0.000 -2.861) 2.907 7.654 ( 0.989 -0.000 -4.197) 4.312 7.760 ( -1.806 0.000 0.678) 1.929 7.800 ( -1.038 0.000 -2.648) 2.845 7.971 ( 1.894 0.000 -5.668) 5.976 7.981 ( 1.937 -0.000 -5.875) 6.186 8.085 ( -2.389 0.000 -1.995) 3.113 8.141 ( -0.658 0.000 -3.609) 3.669 8.755 ( 0.475 0.000 3.926) 3.955 8.764 ( 1.015 -0.000 4.062) 4.187 9.029 ( -0.869 0.000 -6.022) 6.084 9.032 ( -0.629 0.000 -5.825) 5.859 13.405 ( 1.271 0.000 1.471) 1.944 13.442 ( 2.761 0.000 -0.416) 2.792 13.505 ( -3.358 0.000 -1.083) 3.528 13.598 ( -1.638 0.000 -3.596) 3.951 13.809 ( 2.167 0.000 2.310) 3.167 13.860 ( 1.590 0.000 -1.167) 1.973 13.961 ( -1.392 0.000 -1.859) 2.322 14.065 ( 3.394 0.000 -3.619) 4.961 15.585 ( -2.439 0.000 -0.088) 2.440 15.618 ( -1.349 0.000 -1.523) 2.034 15.686 ( -2.061 -0.000 0.191) 2.069 15.718 ( -0.981 0.000 -1.210) 1.557 15.927 ( 0.363 0.000 -1.593) 1.634 15.962 ( 1.742 0.000 -2.692) 3.206 16.104 ( -3.594 0.000 0.542) 3.634 16.254 ( 1.876 0.000 -4.960) 5.303 16.482 ( 0.448 0.000 2.179) 2.225 16.504 ( 1.131 0.000 1.763) 2.094 16.553 ( -3.156 -0.000 3.482) 4.699 16.589 ( -2.442 0.000 1.799) 3.033 16.757 ( 3.889 0.000 3.299) 5.099 16.783 ( 5.082 0.000 2.307) 5.581 16.964 ( -2.882 0.000 2.957) 4.130 17.020 ( -0.049 0.000 0.578) 0.580 ======================= Grid point 114 (45/60) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( 0.000 0.000 2.490) 2.490 1.421 ( 0.000 0.000 3.717) 3.717 1.511 ( 0.000 0.000 -4.680) 4.680 1.527 ( 0.000 0.000 0.378) 0.378 1.696 ( -0.000 0.000 7.681) 7.681 1.750 ( -0.000 0.000 3.885) 3.885 1.841 ( 0.000 -0.000 -0.116) 0.116 1.903 ( 0.000 0.000 -4.569) 4.569 1.934 ( 0.000 0.000 1.067) 1.067 2.017 ( 0.000 0.000 3.412) 3.412 2.139 ( 0.000 0.000 0.275) 0.275 2.152 ( 0.000 0.000 -5.021) 5.021 2.157 ( 0.000 0.000 0.927) 0.927 2.209 ( -0.000 0.000 5.774) 5.774 2.286 ( 0.000 0.000 0.748) 0.748 2.316 ( -0.000 0.000 -2.175) 2.175 2.678 ( -0.000 0.000 -4.635) 4.635 2.701 ( 0.000 -0.000 2.689) 2.689 2.709 ( 0.000 0.000 2.130) 2.130 2.728 ( 0.000 0.000 -0.465) 0.465 2.806 ( 0.000 0.000 0.718) 0.718 2.855 ( 0.000 -0.000 -3.053) 3.053 2.902 ( 0.000 0.000 1.151) 1.151 2.945 ( 0.000 0.000 -0.277) 0.277 3.155 ( 0.000 0.000 6.714) 6.714 3.192 ( 0.000 0.000 -1.265) 1.265 3.247 ( 0.000 0.000 -2.800) 2.800 3.381 ( 0.000 0.000 -2.364) 2.364 3.552 ( 0.000 0.000 7.283) 7.283 3.640 ( -0.000 0.000 8.477) 8.477 3.857 ( 0.000 0.000 -2.397) 2.397 3.876 ( 0.000 0.000 -6.351) 6.351 3.986 ( 0.000 -0.000 10.885) 10.885 4.070 ( 0.000 0.000 5.688) 5.688 4.217 ( 0.000 0.000 -1.492) 1.492 4.233 ( 0.000 0.000 1.443) 1.443 4.604 ( 0.000 0.000 -0.987) 0.987 4.612 ( 0.000 0.000 4.600) 4.600 4.639 ( -0.000 0.000 -1.496) 1.496 4.649 ( 0.000 0.000 0.143) 0.143 4.687 ( -0.000 0.000 2.656) 2.656 4.703 ( -0.000 0.000 0.970) 0.970 4.752 ( 0.000 0.000 3.771) 3.771 4.797 ( 0.000 0.000 -1.271) 1.271 4.955 ( 0.000 0.000 -1.633) 1.633 5.022 ( -0.000 0.000 0.329) 0.329 5.070 ( 0.000 0.000 -2.244) 2.244 5.145 ( 0.000 0.000 -1.538) 1.538 5.622 ( 0.000 -0.000 1.966) 1.966 5.643 ( -0.000 0.000 -0.535) 0.535 5.664 ( 0.000 0.000 4.873) 4.873 5.821 ( 0.000 0.000 -0.649) 0.649 5.830 ( -0.000 -0.000 -1.587) 1.587 5.853 ( 0.000 0.000 -1.021) 1.021 5.999 ( -0.000 0.000 -3.922) 3.922 6.013 ( 0.000 0.000 -3.638) 3.638 6.260 ( 0.000 0.000 0.619) 0.619 6.284 ( 0.000 0.000 3.803) 3.803 6.300 ( -0.000 0.000 4.513) 4.513 6.444 ( 0.000 0.000 -0.210) 0.210 6.599 ( 0.000 0.000 -3.836) 3.836 6.624 ( 0.000 0.000 -0.609) 0.609 6.840 ( 0.000 0.000 2.017) 2.017 6.892 ( 0.000 -0.000 -0.470) 0.470 7.101 ( 0.000 0.000 5.005) 5.005 7.132 ( 0.000 0.000 10.312) 10.312 7.247 ( 0.000 0.000 2.871) 2.871 7.270 ( 0.000 0.000 -1.817) 1.817 7.460 ( 0.000 0.000 3.591) 3.591 7.510 ( 0.000 0.000 0.480) 0.480 7.586 ( 0.000 0.000 -4.248) 4.248 7.637 ( -0.000 0.000 -5.794) 5.794 7.653 ( -0.000 0.000 -4.244) 4.244 7.699 ( 0.000 0.000 1.048) 1.048 7.742 ( 0.000 0.000 0.824) 0.824 7.782 ( 0.000 0.000 -1.862) 1.862 8.003 ( 0.000 -0.000 -3.127) 3.127 8.019 ( -0.000 0.000 -8.475) 8.475 8.042 ( 0.000 0.000 0.484) 0.484 8.122 ( 0.000 0.000 -5.034) 5.034 8.762 ( 0.000 0.000 4.365) 4.365 8.779 ( 0.000 0.000 4.636) 4.636 9.017 ( 0.000 0.000 -6.732) 6.732 9.024 ( 0.000 0.000 -6.316) 6.316 13.444 ( 0.000 0.000 -1.304) 1.304 13.446 ( -0.000 0.000 1.869) 1.869 13.487 ( 0.000 0.000 -2.901) 2.901 13.559 ( 0.000 0.000 -1.852) 1.852 13.850 ( -0.000 0.000 5.724) 5.724 13.877 ( 0.000 0.000 -0.638) 0.638 13.939 ( 0.000 0.000 -4.697) 4.697 14.107 ( 0.000 0.000 -4.898) 4.898 15.554 ( 0.000 0.000 0.203) 0.203 15.598 ( 0.000 0.000 -1.906) 1.906 15.659 ( 0.000 -0.000 1.495) 1.495 15.704 ( 0.000 0.000 -0.654) 0.654 15.933 ( 0.000 0.000 -1.720) 1.720 15.987 ( 0.000 0.000 -3.745) 3.745 16.059 ( 0.000 0.000 1.525) 1.525 16.272 ( 0.000 0.000 -6.821) 6.821 16.501 ( -0.000 0.000 3.345) 3.345 16.506 ( 0.000 0.000 2.532) 2.532 16.522 ( -0.000 0.000 2.829) 2.829 16.557 ( 0.000 0.000 -0.016) 0.016 16.804 ( 0.000 0.000 4.811) 4.811 16.886 ( 0.000 0.000 5.577) 5.577 16.887 ( -0.000 0.000 0.738) 0.738 17.016 ( 0.000 0.000 -0.490) 0.490 ======================= Grid point 135 (46/60) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( 0.000 0.000 -13.702) 13.702 0.976 ( 0.000 0.000 13.702) 13.702 1.248 ( 0.000 0.000 -16.528) 16.528 1.248 ( 0.000 0.000 16.528) 16.528 1.662 ( 0.000 0.000 -1.318) 1.318 1.662 ( 0.000 0.000 1.318) 1.318 1.723 ( 0.000 0.000 -1.291) 1.291 1.723 ( 0.000 0.000 1.291) 1.291 2.113 ( 0.000 0.000 -1.626) 1.626 2.113 ( 0.000 0.000 1.626) 1.626 2.168 ( 0.000 0.000 -13.169) 13.169 2.168 ( 0.000 0.000 13.169) 13.169 2.362 ( 0.000 0.000 -8.206) 8.206 2.362 ( 0.000 0.000 8.206) 8.206 2.471 ( 0.000 0.000 -3.198) 3.198 2.471 ( 0.000 0.000 3.198) 3.198 2.504 ( 0.000 0.000 -1.499) 1.499 2.504 ( 0.000 0.000 1.499) 1.499 2.615 ( 0.000 0.000 -3.573) 3.573 2.615 ( 0.000 0.000 3.573) 3.573 2.840 ( 0.000 0.000 -0.271) 0.271 2.840 ( 0.000 0.000 0.271) 0.271 3.011 ( 0.000 0.000 -4.332) 4.332 3.011 ( 0.000 0.000 4.332) 4.332 3.352 ( 0.000 0.000 -0.246) 0.246 3.352 ( 0.000 0.000 0.246) 0.246 3.740 ( 0.000 0.000 -5.123) 5.123 3.740 ( 0.000 0.000 5.123) 5.123 3.891 ( 0.000 0.000 -1.850) 1.850 3.891 ( 0.000 0.000 1.850) 1.850 3.918 ( 0.000 0.000 -5.827) 5.827 3.918 ( 0.000 0.000 5.827) 5.827 4.202 ( 0.000 0.000 -7.677) 7.677 4.202 ( 0.000 0.000 7.677) 7.677 4.389 ( 0.000 0.000 -3.154) 3.154 4.389 ( 0.000 0.000 3.154) 3.154 4.464 ( 0.000 0.000 -3.432) 3.432 4.464 ( 0.000 0.000 3.432) 3.432 4.652 ( 0.000 0.000 -2.652) 2.652 4.652 ( 0.000 0.000 2.652) 2.652 4.728 ( 0.000 0.000 -0.571) 0.571 4.728 ( 0.000 0.000 0.571) 0.571 4.759 ( 0.000 0.000 -5.728) 5.728 4.759 ( 0.000 0.000 5.728) 5.728 5.097 ( 0.000 0.000 -5.584) 5.584 5.097 ( 0.000 0.000 5.584) 5.584 5.259 ( 0.000 0.000 -3.417) 3.417 5.259 ( 0.000 0.000 3.417) 3.417 5.497 ( 0.000 0.000 -9.042) 9.042 5.497 ( 0.000 0.000 9.042) 9.042 5.601 ( 0.000 0.000 -2.603) 2.603 5.601 ( 0.000 0.000 2.603) 2.603 5.803 ( 0.000 0.000 -6.123) 6.123 5.803 ( 0.000 0.000 6.123) 6.123 5.902 ( 0.000 0.000 -2.780) 2.780 5.902 ( 0.000 0.000 2.780) 2.780 6.328 ( 0.000 0.000 -3.710) 3.710 6.328 ( 0.000 0.000 3.710) 3.710 6.395 ( 0.000 0.000 -0.439) 0.439 6.395 ( 0.000 0.000 0.439) 0.439 6.715 ( 0.000 0.000 -1.475) 1.475 6.715 ( 0.000 0.000 1.475) 1.475 6.764 ( 0.000 0.000 -0.273) 0.273 6.764 ( 0.000 0.000 0.273) 0.273 7.066 ( 0.000 0.000 -0.409) 0.409 7.066 ( 0.000 0.000 0.409) 0.409 7.211 ( 0.000 0.000 -0.980) 0.980 7.211 ( 0.000 0.000 0.980) 0.980 7.448 ( 0.000 0.000 -1.353) 1.353 7.448 ( 0.000 0.000 1.353) 1.353 7.451 ( 0.000 0.000 -3.946) 3.946 7.451 ( 0.000 0.000 3.946) 3.946 7.666 ( 0.000 0.000 -1.854) 1.854 7.666 ( 0.000 0.000 1.854) 1.854 7.744 ( 0.000 0.000 -2.561) 2.561 7.744 ( 0.000 0.000 2.561) 2.561 8.142 ( 0.000 0.000 -0.340) 0.340 8.142 ( 0.000 0.000 0.340) 0.340 8.224 ( 0.000 0.000 -5.243) 5.243 8.224 ( 0.000 0.000 5.243) 5.243 8.642 ( 0.000 0.000 -0.840) 0.840 8.642 ( 0.000 0.000 0.840) 0.840 8.893 ( 0.000 0.000 -0.428) 0.428 8.893 ( 0.000 0.000 0.428) 0.428 13.251 ( 0.000 0.000 -1.398) 1.398 13.251 ( 0.000 0.000 1.398) 1.398 13.451 ( 0.000 0.000 -2.026) 2.026 13.451 ( 0.000 0.000 2.026) 2.026 13.773 ( 0.000 0.000 -0.369) 0.369 13.773 ( 0.000 0.000 0.369) 0.369 13.979 ( 0.000 0.000 -8.922) 8.922 13.979 ( 0.000 0.000 8.922) 8.922 15.546 ( 0.000 0.000 -0.529) 0.529 15.546 ( 0.000 0.000 0.529) 0.529 15.724 ( 0.000 0.000 -2.642) 2.642 15.724 ( 0.000 0.000 2.642) 2.642 15.875 ( 0.000 0.000 -1.370) 1.370 15.875 ( 0.000 0.000 1.370) 1.370 15.979 ( 0.000 0.000 -2.242) 2.242 15.979 ( 0.000 0.000 2.242) 2.242 16.503 ( 0.000 0.000 -0.005) 0.005 16.503 ( 0.000 0.000 0.005) 0.005 16.607 ( 0.000 0.000 -0.323) 0.323 16.607 ( 0.000 0.000 0.323) 0.323 17.072 ( 0.000 0.000 -10.867) 10.867 17.072 ( 0.000 0.000 10.867) 10.867 17.135 ( 0.000 0.000 -2.128) 2.128 17.135 ( 0.000 0.000 2.128) 2.128 ======================= Grid point 137 (47/60) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( 15.022 0.000 -11.663) 19.019 1.166 ( 15.022 0.000 11.663) 19.019 1.307 ( 5.226 0.000 -14.872) 15.763 1.307 ( 5.226 0.000 14.872) 15.763 1.645 ( -6.282 0.000 -5.946) 8.650 1.645 ( -6.282 0.000 5.946) 8.650 1.652 ( -1.888 0.000 -7.253) 7.495 1.652 ( -1.888 0.000 7.253) 7.495 2.110 ( -0.174 0.000 -4.966) 4.969 2.110 ( -0.174 0.000 4.966) 4.969 2.160 ( -1.295 0.000 -11.817) 11.888 2.160 ( -1.295 0.000 11.817) 11.888 2.357 ( 0.433 0.000 -7.464) 7.477 2.357 ( 0.433 0.000 7.464) 7.477 2.454 ( -2.038 0.000 -3.162) 3.762 2.454 ( -2.038 0.000 3.162) 3.762 2.562 ( 3.119 0.000 -2.162) 3.795 2.562 ( 3.119 0.000 2.162) 3.795 2.580 ( -1.973 0.000 -5.182) 5.545 2.580 ( -1.973 0.000 5.182) 5.545 2.825 ( 0.425 0.000 -2.179) 2.220 2.825 ( 0.425 0.000 2.179) 2.220 2.986 ( -2.578 0.000 -4.686) 5.348 2.986 ( -2.578 0.000 4.686) 5.348 3.415 ( 5.293 0.000 -1.289) 5.448 3.415 ( 5.293 0.000 1.289) 5.448 3.676 ( -5.269 0.000 -4.020) 6.628 3.676 ( -5.269 0.000 4.020) 6.628 3.912 ( 1.684 0.000 -3.447) 3.836 3.912 ( 1.684 0.000 3.447) 3.836 3.932 ( 0.922 0.000 -6.456) 6.521 3.932 ( 0.922 0.000 6.456) 6.521 4.206 ( 0.469 0.000 -6.922) 6.937 4.206 ( 0.469 0.000 6.922) 6.937 4.325 ( -4.753 0.000 -4.563) 6.589 4.325 ( -4.753 0.000 4.563) 6.589 4.496 ( 2.381 0.000 -2.819) 3.691 4.496 ( 2.381 0.000 2.819) 3.691 4.621 ( -2.652 0.000 -1.497) 3.045 4.621 ( -2.652 0.000 1.497) 3.045 4.729 ( 0.164 0.000 -1.598) 1.606 4.729 ( 0.164 0.000 1.598) 1.606 4.754 ( -0.533 0.000 -5.828) 5.852 4.754 ( -0.533 0.000 5.828) 5.852 5.113 ( 1.594 0.000 -3.853) 4.170 5.113 ( 1.594 0.000 3.853) 4.170 5.229 ( -2.584 0.000 -3.496) 4.347 5.229 ( -2.584 0.000 3.496) 4.347 5.501 ( 0.486 0.000 -7.874) 7.889 5.501 ( 0.486 0.000 7.874) 7.889 5.564 ( -2.504 0.000 -5.339) 5.897 5.564 ( -2.504 0.000 5.339) 5.897 5.830 ( 2.351 0.000 -8.124) 8.458 5.830 ( 2.351 0.000 8.124) 8.458 5.915 ( 0.156 0.000 -7.862) 7.864 5.915 ( 0.156 0.000 7.862) 7.864 6.361 ( 2.828 0.000 -3.074) 4.177 6.361 ( 2.828 0.000 3.074) 4.177 6.421 ( 1.434 0.000 -2.058) 2.508 6.421 ( 1.434 0.000 2.058) 2.508 6.732 ( 1.477 0.000 -1.685) 2.241 6.732 ( 1.477 0.000 1.685) 2.241 6.770 ( 0.425 0.000 -1.654) 1.708 6.770 ( 0.425 0.000 1.654) 1.708 7.074 ( 0.966 0.000 -5.358) 5.444 7.074 ( 0.966 0.000 5.358) 5.444 7.181 ( -2.680 0.000 -4.711) 5.420 7.181 ( -2.680 0.000 4.711) 5.420 7.443 ( -0.366 0.000 -2.188) 2.219 7.443 ( -0.366 0.000 2.188) 2.219 7.446 ( -0.402 0.000 -3.790) 3.812 7.446 ( -0.402 0.000 3.790) 3.812 7.679 ( 1.152 0.000 -3.508) 3.692 7.679 ( 1.152 0.000 3.508) 3.692 7.734 ( -0.910 0.000 -3.974) 4.077 7.734 ( -0.910 0.000 3.974) 4.077 8.157 ( 1.252 0.000 -1.425) 1.897 8.157 ( 1.252 0.000 1.425) 1.897 8.213 ( -0.980 0.000 -4.513) 4.618 8.213 ( -0.980 0.000 4.513) 4.618 8.669 ( 2.543 0.000 -1.186) 2.806 8.669 ( 2.543 0.000 1.186) 2.806 8.845 ( -4.134 0.000 -1.090) 4.275 8.845 ( -4.134 0.000 1.090) 4.275 13.278 ( 2.432 0.000 -1.529) 2.873 13.278 ( 2.432 0.000 1.529) 2.873 13.419 ( -2.832 0.000 -1.934) 3.429 13.419 ( -2.832 0.000 1.934) 3.429 13.789 ( 1.557 0.000 -2.748) 3.158 13.789 ( 1.557 0.000 2.748) 3.158 13.928 ( -4.128 0.000 -8.330) 9.296 13.928 ( -4.128 0.000 8.330) 9.296 15.597 ( 4.012 0.000 -1.646) 4.336 15.597 ( 4.012 0.000 1.646) 4.336 15.716 ( -0.891 0.000 -2.687) 2.831 15.716 ( -0.891 0.000 2.687) 2.831 15.890 ( 1.333 0.000 -1.499) 2.006 15.890 ( 1.333 0.000 1.499) 2.006 15.963 ( -1.379 0.000 -2.126) 2.534 15.963 ( -1.379 0.000 2.126) 2.534 16.514 ( 1.118 0.000 -0.384) 1.182 16.514 ( 1.118 0.000 0.384) 1.182 16.588 ( -1.646 0.000 -0.415) 1.697 16.588 ( -1.646 0.000 0.415) 1.697 17.084 ( 0.982 0.000 -9.859) 9.908 17.084 ( 0.982 0.000 9.859) 9.908 17.128 ( -0.704 0.000 -4.120) 4.180 17.128 ( -0.704 0.000 4.120) 4.180 ======================= Grid point 139 (48/60) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( -0.034 0.000 -11.006) 11.006 1.413 ( 0.034 0.000 -11.006) 11.006 1.413 ( -0.034 0.000 11.006) 11.006 1.413 ( 0.034 0.000 11.006) 11.006 1.554 ( -2.696 0.000 -9.944) 10.303 1.554 ( 2.696 0.000 -9.944) 10.303 1.554 ( -2.696 0.000 9.944) 10.303 1.554 ( 2.696 0.000 9.944) 10.303 2.121 ( -1.019 0.000 -8.239) 8.302 2.121 ( 1.019 0.000 -8.239) 8.302 2.121 ( -1.019 0.000 8.239) 8.302 2.121 ( 1.019 0.000 8.239) 8.302 2.393 ( -1.016 0.000 -8.666) 8.725 2.393 ( 1.016 0.000 -8.666) 8.725 2.393 ( -1.016 0.000 8.666) 8.725 2.393 ( 1.016 0.000 8.666) 8.725 2.574 ( -0.141 0.000 -1.464) 1.471 2.574 ( -0.141 0.000 1.464) 1.471 2.574 ( 0.141 0.000 -1.464) 1.471 2.574 ( 0.141 0.000 1.464) 1.471 2.900 ( -3.768 0.000 -4.568) 5.922 2.900 ( 3.768 0.000 -4.568) 5.922 2.900 ( -3.768 0.000 4.568) 5.922 2.900 ( 3.768 0.000 4.568) 5.922 3.546 ( -5.564 0.000 -2.618) 6.149 3.546 ( -5.564 0.000 2.618) 6.149 3.546 ( 5.564 0.000 -2.618) 6.149 3.546 ( 5.564 0.000 2.618) 6.149 3.940 ( -0.300 0.000 -6.113) 6.120 3.940 ( 0.300 0.000 -6.113) 6.120 3.940 ( -0.300 0.000 6.113) 6.120 3.940 ( 0.300 0.000 6.113) 6.120 4.236 ( -2.636 0.000 -5.523) 6.120 4.236 ( 2.636 0.000 -5.523) 6.120 4.236 ( -2.636 0.000 5.523) 6.120 4.236 ( 2.636 0.000 5.523) 6.120 4.556 ( -2.270 0.000 -1.993) 3.021 4.556 ( 2.270 0.000 -1.993) 3.021 4.556 ( -2.270 0.000 1.993) 3.021 4.556 ( 2.270 0.000 1.993) 3.021 4.739 ( -0.457 0.000 -3.760) 3.788 4.739 ( 0.457 0.000 -3.760) 3.788 4.739 ( -0.457 0.000 3.760) 3.788 4.739 ( 0.457 0.000 3.760) 3.788 5.165 ( -3.115 0.000 -2.553) 4.028 5.165 ( 3.115 0.000 -2.553) 4.028 5.165 ( -3.115 0.000 2.553) 4.028 5.165 ( 3.115 0.000 2.553) 4.028 5.521 ( -0.814 0.000 -6.652) 6.701 5.521 ( 0.814 0.000 -6.652) 6.701 5.521 ( -0.814 0.000 6.652) 6.701 5.521 ( 0.814 0.000 6.652) 6.701 5.887 ( -2.328 0.000 -9.445) 9.728 5.887 ( 2.328 0.000 -9.445) 9.728 5.887 ( -2.328 0.000 9.445) 9.728 5.887 ( 2.328 0.000 9.445) 9.728 6.419 ( -1.650 0.000 -2.119) 2.686 6.419 ( 1.650 0.000 -2.119) 2.686 6.419 ( -1.650 0.000 2.119) 2.686 6.419 ( 1.650 0.000 2.119) 2.686 6.765 ( -0.106 0.000 -1.872) 1.875 6.765 ( -0.106 0.000 1.872) 1.875 6.765 ( 0.106 0.000 -1.872) 1.875 6.765 ( 0.106 0.000 1.872) 1.875 7.116 ( -2.177 0.000 -7.167) 7.491 7.116 ( 2.177 0.000 -7.167) 7.491 7.116 ( -2.177 0.000 7.167) 7.491 7.116 ( 2.177 0.000 7.167) 7.491 7.439 ( -0.010 0.000 -3.203) 3.203 7.439 ( 0.010 0.000 -3.203) 3.203 7.439 ( -0.010 0.000 3.203) 3.203 7.439 ( 0.010 0.000 3.203) 3.203 7.709 ( -1.065 0.000 -4.755) 4.873 7.709 ( 1.065 0.000 -4.755) 4.873 7.709 ( -1.065 0.000 4.755) 4.873 7.709 ( 1.065 0.000 4.755) 4.873 8.186 ( -0.554 0.000 -2.869) 2.922 8.186 ( 0.554 0.000 -2.869) 2.922 8.186 ( -0.554 0.000 2.869) 2.922 8.186 ( 0.554 0.000 2.869) 2.922 8.746 ( -4.539 0.000 -1.567) 4.802 8.746 ( -4.539 0.000 1.567) 4.802 8.746 ( 4.539 0.000 -1.567) 4.802 8.746 ( 4.539 0.000 1.567) 4.802 13.346 ( -3.478 0.000 -1.732) 3.885 13.346 ( 3.478 0.000 -1.732) 3.885 13.346 ( -3.478 0.000 1.732) 3.885 13.346 ( 3.478 0.000 1.732) 3.885 13.842 ( -3.122 0.000 -5.918) 6.691 13.842 ( 3.122 0.000 -5.918) 6.691 13.842 ( -3.122 0.000 5.918) 6.691 13.842 ( 3.122 0.000 5.918) 6.691 15.677 ( -2.453 0.000 -2.476) 3.485 15.677 ( 2.453 0.000 -2.476) 3.485 15.677 ( -2.453 0.000 2.476) 3.485 15.677 ( 2.453 0.000 2.476) 3.485 15.926 ( -1.320 0.000 -1.825) 2.253 15.926 ( 1.320 0.000 -1.825) 2.253 15.926 ( -1.320 0.000 1.825) 2.253 15.926 ( 1.320 0.000 1.825) 2.253 16.548 ( -1.802 0.000 -0.486) 1.866 16.548 ( -1.802 0.000 0.486) 1.866 16.548 ( 1.802 0.000 -0.486) 1.866 16.548 ( 1.802 0.000 0.486) 1.866 17.108 ( -1.062 0.000 -7.260) 7.337 17.108 ( 1.062 0.000 -7.260) 7.337 17.108 ( -1.062 0.000 7.260) 7.337 17.108 ( 1.062 0.000 7.260) 7.337 ======================= Grid point 145 (49/60) ======================= q-point: ( 0.00 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( 0.000 7.362 -11.337) 13.518 1.056 ( 0.000 7.362 11.337) 13.518 1.273 ( 0.000 2.985 -13.547) 13.872 1.273 ( 0.000 2.985 13.547) 13.872 1.582 ( 0.000 -3.435 -4.497) 5.659 1.582 ( 0.000 -3.435 4.497) 5.659 1.847 ( 0.000 6.760 -3.106) 7.439 1.847 ( 0.000 6.760 3.106) 7.439 2.056 ( 0.000 -4.108 -0.252) 4.116 2.056 ( 0.000 -4.108 0.252) 4.116 2.228 ( 0.000 2.752 -8.261) 8.708 2.228 ( 0.000 2.752 8.261) 8.708 2.324 ( 0.000 -4.404 -6.119) 7.539 2.324 ( 0.000 -4.404 6.119) 7.539 2.413 ( 0.000 0.913 -5.562) 5.637 2.413 ( 0.000 0.913 5.562) 5.637 2.570 ( 0.000 3.658 -1.856) 4.102 2.570 ( 0.000 3.658 1.856) 4.102 2.650 ( 0.000 2.107 -2.199) 3.046 2.650 ( 0.000 2.107 2.199) 3.046 2.832 ( 0.000 -0.944 -0.272) 0.982 2.832 ( 0.000 -0.944 0.272) 0.982 2.991 ( 0.000 -1.972 -3.010) 3.599 2.991 ( 0.000 -1.972 3.010) 3.599 3.314 ( 0.000 -3.435 -0.791) 3.525 3.314 ( 0.000 -3.435 0.791) 3.525 3.612 ( 0.000 -9.325 -3.611) 10.000 3.612 ( 0.000 -9.325 3.611) 10.000 3.800 ( 0.000 -4.604 -5.086) 6.860 3.800 ( 0.000 -4.604 5.086) 6.860 3.987 ( 0.000 0.513 -0.637) 0.818 3.987 ( 0.000 0.513 0.637) 0.818 4.192 ( 0.000 -1.332 -3.808) 4.034 4.192 ( 0.000 -1.332 3.808) 4.034 4.341 ( 0.000 -3.899 -2.747) 4.770 4.341 ( 0.000 -3.899 2.747) 4.770 4.487 ( 0.000 2.921 -4.742) 5.570 4.487 ( 0.000 2.921 4.742) 5.570 4.656 ( 0.000 0.578 -0.891) 1.062 4.656 ( 0.000 0.578 0.891) 1.062 4.770 ( 0.000 2.240 -3.420) 4.088 4.770 ( 0.000 2.240 3.420) 4.088 4.795 ( 0.000 3.368 -2.318) 4.088 4.795 ( 0.000 3.368 2.318) 4.088 5.050 ( 0.000 -3.937 -2.879) 4.877 5.050 ( 0.000 -3.937 2.879) 4.877 5.249 ( 0.000 -1.682 -2.120) 2.707 5.249 ( 0.000 -1.682 2.120) 2.707 5.481 ( 0.000 -1.282 -4.884) 5.050 5.481 ( 0.000 -1.282 4.884) 5.050 5.610 ( 0.000 1.168 -0.522) 1.279 5.610 ( 0.000 1.168 0.522) 1.279 5.731 ( 0.000 -1.318 -9.446) 9.538 5.731 ( 0.000 -1.318 9.446) 9.538 6.061 ( 0.000 8.497 -0.074) 8.497 6.061 ( 0.000 8.497 0.074) 8.497 6.277 ( 0.000 -3.151 -2.416) 3.971 6.277 ( 0.000 -3.151 2.416) 3.971 6.395 ( 0.000 -0.428 -0.080) 0.435 6.395 ( 0.000 -0.428 0.080) 0.435 6.670 ( 0.000 -1.940 -0.596) 2.030 6.670 ( 0.000 -1.940 0.596) 2.030 6.848 ( 0.000 4.998 -0.286) 5.006 6.848 ( 0.000 4.998 0.286) 5.006 7.061 ( 0.000 0.414 -2.825) 2.855 7.061 ( 0.000 0.414 2.825) 2.855 7.244 ( 0.000 2.081 -0.000) 2.081 7.244 ( 0.000 2.081 0.000) 2.081 7.414 ( 0.000 -1.395 -0.106) 1.399 7.414 ( 0.000 -1.395 0.106) 1.399 7.486 ( 0.000 1.562 -1.274) 2.016 7.486 ( 0.000 1.562 1.274) 2.016 7.663 ( 0.000 -0.398 -0.364) 0.539 7.663 ( 0.000 -0.398 0.364) 0.539 7.746 ( 0.000 0.070 -2.115) 2.116 7.746 ( 0.000 0.070 2.115) 2.116 8.080 ( 0.000 -4.633 -0.236) 4.639 8.080 ( 0.000 -4.633 0.236) 4.639 8.193 ( 0.000 -2.576 -3.295) 4.183 8.193 ( 0.000 -2.576 3.295) 4.183 8.688 ( 0.000 3.390 -0.555) 3.435 8.688 ( 0.000 3.390 0.555) 3.435 8.912 ( 0.000 1.631 -0.313) 1.661 8.912 ( 0.000 1.631 0.313) 1.661 13.281 ( 0.000 2.630 -1.372) 2.967 13.281 ( 0.000 2.630 1.372) 2.967 13.464 ( 0.000 1.202 -1.623) 2.020 13.464 ( 0.000 1.202 1.623) 2.020 13.791 ( 0.000 1.606 -0.318) 1.637 13.791 ( 0.000 1.606 0.318) 1.637 13.952 ( 0.000 -2.180 -7.935) 8.229 13.952 ( 0.000 -2.180 7.935) 8.229 15.547 ( 0.000 0.199 -0.452) 0.494 15.547 ( 0.000 0.199 0.452) 0.494 15.730 ( 0.000 0.326 -2.311) 2.333 15.730 ( 0.000 0.326 2.311) 2.333 15.874 ( 0.000 0.459 -0.700) 0.837 15.874 ( 0.000 0.459 0.700) 0.837 16.038 ( 0.000 4.599 -2.949) 5.463 16.038 ( 0.000 4.599 2.949) 5.463 16.492 ( 0.000 -0.881 -0.028) 0.882 16.492 ( 0.000 -0.881 0.028) 0.882 16.620 ( 0.000 1.154 -0.403) 1.222 16.620 ( 0.000 1.154 0.403) 1.222 17.014 ( 0.000 -5.243 -4.054) 6.627 17.014 ( 0.000 -5.243 4.054) 6.627 17.120 ( 0.000 -1.501 -4.241) 4.499 17.120 ( 0.000 -1.501 4.241) 4.499 ======================= Grid point 147 (50/60) ======================= q-point: ( 0.25 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( 9.874 1.974 -11.405) 15.214 1.183 ( 9.874 1.974 11.405) 15.214 1.361 ( 7.655 5.140 -9.954) 13.569 1.361 ( 7.655 5.140 9.954) 13.569 1.558 ( -2.575 -2.714 -4.300) 5.700 1.558 ( -2.575 -2.714 4.300) 5.700 1.781 ( -5.389 6.211 -2.252) 8.525 1.781 ( -5.389 6.211 2.252) 8.525 2.061 ( 0.260 -4.220 -3.723) 5.634 2.061 ( 0.260 -4.220 3.723) 5.634 2.187 ( -3.526 0.167 -8.680) 9.370 2.187 ( -3.526 0.167 8.680) 9.370 2.337 ( 0.948 -0.688 -6.169) 6.279 2.337 ( 0.948 -0.688 6.169) 6.279 2.430 ( 0.882 -0.738 -3.962) 4.126 2.430 ( 0.882 -0.738 3.962) 4.126 2.572 ( 0.086 3.327 -2.904) 4.417 2.572 ( 0.086 3.327 2.904) 4.417 2.649 ( -0.076 3.204 -2.517) 4.075 2.649 ( -0.076 3.204 2.517) 4.075 2.813 ( 0.029 -1.017 -1.918) 2.171 2.813 ( 0.029 -1.017 1.918) 2.171 2.980 ( -1.714 -0.973 -3.990) 4.450 2.980 ( -1.714 -0.973 3.990) 4.450 3.367 ( 4.293 -4.277 -1.308) 6.200 3.367 ( 4.293 -4.277 1.308) 6.200 3.578 ( -3.027 -7.721 -3.478) 8.993 3.578 ( -3.027 -7.721 3.478) 8.993 3.824 ( 2.311 -4.846 -4.200) 6.817 3.824 ( 2.311 -4.846 4.200) 6.817 3.959 ( -2.528 -1.474 -1.784) 3.427 3.959 ( -2.528 -1.474 1.784) 3.427 4.195 ( 0.660 -1.100 -4.462) 4.643 4.195 ( 0.660 -1.100 4.462) 4.643 4.311 ( -2.638 -1.558 -3.773) 4.860 4.311 ( -2.638 -1.558 3.773) 4.860 4.507 ( 1.687 1.829 -4.152) 4.841 4.507 ( 1.687 1.829 4.152) 4.841 4.629 ( -2.348 0.735 -0.940) 2.634 4.629 ( -2.348 0.735 0.940) 2.634 4.759 ( -0.328 1.903 -4.407) 4.811 4.759 ( -0.328 1.903 4.407) 4.811 4.800 ( -0.044 3.831 -2.685) 4.678 4.800 ( -0.044 3.831 2.685) 4.678 5.065 ( 1.664 -3.927 -2.499) 4.943 5.065 ( 1.664 -3.927 2.499) 4.943 5.202 ( -3.605 -2.728 -2.605) 5.217 5.202 ( -3.605 -2.728 2.605) 5.217 5.510 ( 1.999 1.324 -5.916) 6.383 5.510 ( 1.999 1.324 5.916) 6.383 5.601 ( -1.010 2.798 -5.169) 5.963 5.601 ( -1.010 2.798 5.169) 5.963 5.777 ( 4.302 -2.014 -9.002) 10.178 5.777 ( 4.302 -2.014 9.002) 10.178 6.009 ( -4.521 5.408 -5.616) 9.013 6.009 ( -4.521 5.408 5.616) 9.013 6.321 ( 3.836 -3.109 -2.593) 5.577 6.321 ( 3.836 -3.109 2.593) 5.577 6.412 ( 0.863 -0.723 -1.433) 1.822 6.412 ( 0.863 -0.723 1.433) 1.822 6.661 ( -0.875 -2.698 -1.559) 3.236 6.661 ( -0.875 -2.698 1.559) 3.236 6.859 ( 0.549 3.708 -1.996) 4.247 6.859 ( 0.549 3.708 1.996) 4.247 7.086 ( 2.697 2.244 -3.368) 4.864 7.086 ( 2.697 2.244 3.368) 4.864 7.229 ( -1.613 3.287 -3.083) 4.786 7.229 ( -1.613 3.287 3.083) 4.786 7.414 ( 0.168 -1.318 -0.702) 1.503 7.414 ( 0.168 -1.318 0.702) 1.503 7.472 ( -1.283 1.213 -1.814) 2.532 7.472 ( -1.283 1.213 1.814) 2.532 7.670 ( 0.684 -0.794 -2.156) 2.397 7.670 ( 0.684 -0.794 2.156) 2.397 7.735 ( -0.958 -0.024 -4.511) 4.612 7.735 ( -0.958 -0.024 4.511) 4.612 8.089 ( 0.791 -4.940 -3.174) 5.925 8.089 ( 0.791 -4.940 3.174) 5.925 8.181 ( -1.061 -2.813 -3.924) 4.943 8.181 ( -1.061 -2.813 3.924) 4.943 8.716 ( 2.563 3.505 -0.652) 4.391 8.716 ( 2.563 3.505 0.652) 4.391 8.873 ( -3.363 2.306 -0.163) 4.081 8.873 ( -3.363 2.306 0.163) 4.081 13.304 ( 2.176 2.429 -1.449) 3.569 13.304 ( 2.176 2.429 1.449) 3.569 13.434 ( -2.603 1.344 -1.477) 3.281 13.434 ( -2.603 1.344 1.477) 3.281 13.804 ( 1.255 1.363 -2.330) 2.977 13.804 ( 1.255 1.363 2.330) 2.977 13.919 ( -2.730 -0.605 -7.194) 7.719 13.919 ( -2.730 -0.605 7.194) 7.719 15.589 ( 3.362 -0.634 -1.362) 3.682 15.589 ( 3.362 -0.634 1.362) 3.682 15.719 ( -1.135 0.085 -2.267) 2.537 15.719 ( -1.135 0.085 2.267) 2.537 15.894 ( 1.770 0.742 -1.428) 2.392 15.894 ( 1.770 0.742 1.428) 2.392 16.014 ( -2.053 3.950 -2.651) 5.181 16.014 ( -2.053 3.950 2.651) 5.181 16.508 ( 1.446 -0.533 -0.267) 1.564 16.508 ( 1.446 -0.533 0.267) 1.564 16.598 ( -1.917 0.813 -0.500) 2.142 16.598 ( -1.917 0.813 0.500) 2.142 17.033 ( 1.602 -4.519 -3.541) 5.960 17.033 ( 1.602 -4.519 3.541) 5.960 17.106 ( -1.217 -1.953 -3.665) 4.328 17.106 ( -1.217 -1.953 3.665) 4.328 ======================= Grid point 149 (51/60) ======================= q-point: (-0.50 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( -0.000 -1.171 -9.895) 9.964 1.370 ( -0.000 -1.171 9.895) 9.964 1.400 ( 0.000 -1.752 -8.907) 9.077 1.400 ( 0.000 -1.752 8.907) 9.077 1.605 ( 0.000 5.233 -5.739) 7.767 1.605 ( -0.000 5.233 5.739) 7.767 1.638 ( 0.000 5.340 -6.240) 8.213 1.638 ( 0.000 5.340 6.240) 8.213 2.074 ( 0.000 -4.105 -7.559) 8.602 2.074 ( -0.000 -4.105 7.559) 8.602 2.127 ( -0.000 -0.826 -6.526) 6.578 2.127 ( 0.000 -0.826 6.526) 6.578 2.350 ( 0.000 0.151 -8.267) 8.268 2.350 ( 0.000 0.151 8.267) 8.268 2.436 ( 0.000 -0.159 -5.300) 5.302 2.436 ( 0.000 -0.159 5.300) 5.302 2.575 ( 0.000 3.935 -2.964) 4.927 2.575 ( 0.000 3.935 2.964) 4.927 2.640 ( 0.000 2.858 -2.914) 4.081 2.640 ( 0.000 2.858 2.914) 4.081 2.847 ( 0.000 -2.189 -4.602) 5.096 2.847 ( -0.000 -2.189 4.602) 5.096 2.935 ( 0.000 0.568 -4.173) 4.211 2.935 ( 0.000 0.568 4.173) 4.211 3.443 ( -0.000 -6.630 -3.401) 7.451 3.443 ( 0.000 -6.630 3.401) 7.451 3.518 ( -0.000 -4.479 -3.254) 5.536 3.518 ( 0.000 -4.479 3.254) 5.536 3.886 ( 0.000 -5.019 -6.372) 8.111 3.886 ( -0.000 -5.019 6.372) 8.111 3.894 ( 0.000 -3.317 -4.936) 5.947 3.894 ( 0.000 -3.317 4.936) 5.947 4.218 ( 0.000 -1.566 -5.855) 6.061 4.218 ( 0.000 -1.566 5.855) 6.061 4.262 ( -0.000 1.070 -5.285) 5.392 4.262 ( 0.000 1.070 5.285) 5.392 4.538 ( -0.000 0.440 -3.701) 3.727 4.538 ( 0.000 0.440 3.701) 3.727 4.588 ( 0.000 1.450 -1.472) 2.066 4.588 ( 0.000 1.450 1.472) 2.066 4.759 ( 0.000 1.503 -5.078) 5.296 4.759 ( 0.000 1.503 5.078) 5.296 4.795 ( 0.000 4.348 -2.002) 4.787 4.795 ( 0.000 4.348 2.002) 4.787 5.120 ( -0.000 -3.775 -5.081) 6.330 5.120 ( 0.000 -3.775 5.081) 6.330 5.125 ( 0.000 -3.129 -3.338) 4.575 5.125 ( -0.000 -3.129 3.338) 4.575 5.540 ( 0.000 2.360 -7.583) 7.942 5.540 ( 0.000 2.360 7.583) 7.942 5.580 ( 0.000 3.958 -5.871) 7.080 5.580 ( 0.000 3.958 5.871) 7.080 5.885 ( 0.000 0.509 -7.685) 7.701 5.885 ( 0.000 0.509 7.685) 7.701 5.901 ( 0.000 0.500 -9.588) 9.601 5.901 ( -0.000 0.500 9.588) 9.601 6.395 ( 0.000 -1.596 -1.249) 2.027 6.395 ( 0.000 -1.596 1.249) 2.027 6.403 ( 0.000 -2.104 -2.332) 3.141 6.403 ( -0.000 -2.104 2.332) 3.141 6.645 ( -0.000 -3.736 -2.140) 4.305 6.645 ( 0.000 -3.736 2.140) 4.305 6.863 ( 0.000 2.031 -3.192) 3.784 6.863 ( 0.000 2.031 3.192) 3.784 7.161 ( -0.000 5.649 -6.938) 8.947 7.161 ( 0.000 5.649 6.938) 8.947 7.173 ( -0.000 3.177 -4.731) 5.699 7.173 ( 0.000 3.177 4.731) 5.699 7.423 ( 0.000 -0.629 -2.152) 2.242 7.423 ( -0.000 -0.629 2.152) 2.242 7.448 ( 0.000 0.180 -2.946) 2.951 7.448 ( 0.000 0.180 2.946) 2.951 7.684 ( 0.000 -1.754 -2.656) 3.182 7.684 ( 0.000 -1.754 2.656) 3.182 7.718 ( 0.000 0.442 -6.533) 6.548 7.718 ( -0.000 0.442 6.533) 6.548 8.103 ( 0.000 -5.224 -5.480) 7.571 8.103 ( 0.000 -5.224 5.480) 7.571 8.163 ( 0.000 -3.024 -5.474) 6.254 8.163 ( 0.000 -3.024 5.474) 6.254 8.783 ( -0.000 3.163 -3.249) 4.534 8.783 ( 0.000 3.163 3.249) 4.534 8.796 ( 0.000 3.418 -2.415) 4.185 8.796 ( 0.000 3.418 2.415) 4.185 13.356 ( -0.000 1.839 -2.103) 2.793 13.356 ( -0.000 1.839 2.103) 2.793 13.377 ( 0.000 1.919 -1.211) 2.270 13.377 ( 0.000 1.919 1.211) 2.270 13.834 ( -0.000 0.111 -5.277) 5.279 13.834 ( 0.000 0.111 5.277) 5.279 13.870 ( 0.000 1.800 -5.547) 5.832 13.870 ( 0.000 1.800 5.547) 5.832 15.646 ( 0.000 -1.760 -2.037) 2.692 15.646 ( 0.000 -1.760 2.037) 2.692 15.690 ( 0.000 0.317 -2.142) 2.166 15.690 ( 0.000 0.317 2.142) 2.166 15.928 ( 0.000 0.843 -2.501) 2.639 15.928 ( 0.000 0.843 2.501) 2.639 15.976 ( 0.000 3.446 -2.090) 4.031 15.976 ( -0.000 3.446 2.090) 4.031 16.543 ( 0.000 -0.041 -0.492) 0.493 16.543 ( -0.000 -0.041 0.492) 0.493 16.556 ( 0.000 0.346 -0.879) 0.944 16.556 ( -0.000 0.346 0.879) 0.944 17.071 ( 0.000 -2.823 -6.988) 7.536 17.071 ( -0.000 -2.823 6.988) 7.536 17.073 ( 0.000 -3.412 -5.975) 6.881 17.073 ( -0.000 -3.412 5.975) 6.881 ======================= Grid point 155 (52/60) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( 0.000 10.676 -7.188) 12.870 1.254 ( 0.000 10.676 7.188) 12.870 1.384 ( 0.000 7.465 -7.885) 10.858 1.384 ( 0.000 7.465 7.885) 10.858 1.544 ( 0.000 -0.123 -6.432) 6.433 1.544 ( 0.000 -0.123 6.432) 6.433 1.896 ( 0.000 -2.726 -3.715) 4.608 1.896 ( 0.000 -2.726 3.715) 4.608 2.009 ( 0.000 0.236 -2.724) 2.734 2.009 ( 0.000 0.236 2.724) 2.734 2.207 ( 0.000 -3.408 -3.961) 5.226 2.207 ( 0.000 -3.408 3.961) 5.226 2.255 ( 0.000 -2.442 -4.289) 4.935 2.255 ( 0.000 -2.442 4.289) 4.935 2.489 ( 0.000 3.606 -7.257) 8.103 2.489 ( 0.000 3.606 7.257) 8.103 2.642 ( 0.000 2.855 -1.603) 3.275 2.642 ( 0.000 2.855 1.603) 3.275 2.704 ( 0.000 3.584 -1.400) 3.848 2.704 ( 0.000 3.584 1.400) 3.848 2.793 ( 0.000 -2.783 -0.345) 2.805 2.793 ( 0.000 -2.783 0.345) 2.805 2.939 ( 0.000 -2.320 -0.108) 2.322 2.939 ( 0.000 -2.320 0.108) 2.322 3.228 ( 0.000 -4.515 -1.835) 4.873 3.228 ( 0.000 -4.515 1.835) 4.873 3.437 ( 0.000 -6.728 -2.709) 7.253 3.437 ( 0.000 -6.728 2.709) 7.253 3.705 ( 0.000 -3.908 -5.036) 6.374 3.705 ( 0.000 -3.908 5.036) 6.374 3.924 ( 0.000 -5.164 -3.881) 6.459 3.924 ( 0.000 -5.164 3.881) 6.459 4.151 ( 0.000 -2.136 -4.333) 4.831 4.151 ( 0.000 -2.136 4.333) 4.831 4.283 ( 0.000 -1.802 -2.099) 2.766 4.283 ( 0.000 -1.802 2.099) 2.766 4.553 ( 0.000 2.486 -1.869) 3.110 4.553 ( 0.000 2.486 1.869) 3.110 4.660 ( 0.000 -0.429 -0.735) 0.851 4.660 ( 0.000 -0.429 0.735) 0.851 4.799 ( 0.000 0.377 -4.409) 4.426 4.799 ( 0.000 0.377 4.409) 4.426 4.870 ( 0.000 3.358 -0.026) 3.358 4.870 ( 0.000 3.358 0.026) 3.358 4.957 ( 0.000 -4.477 -0.620) 4.520 4.957 ( 0.000 -4.477 0.620) 4.520 5.190 ( 0.000 -3.059 -0.354) 3.079 5.190 ( 0.000 -3.059 0.354) 3.079 5.463 ( 0.000 -0.160 -0.966) 0.979 5.463 ( 0.000 -0.160 0.966) 0.979 5.662 ( 0.000 2.864 -3.959) 4.886 5.662 ( 0.000 2.864 3.959) 4.886 5.745 ( 0.000 2.203 -5.522) 5.945 5.745 ( 0.000 2.203 5.522) 5.945 6.142 ( 0.000 -0.688 -2.866) 2.947 6.142 ( 0.000 -0.688 2.866) 2.947 6.254 ( 0.000 0.425 -1.674) 1.727 6.254 ( 0.000 0.425 1.674) 1.727 6.412 ( 0.000 2.840 -1.228) 3.095 6.412 ( 0.000 2.840 1.228) 3.095 6.643 ( 0.000 -0.756 -0.111) 0.764 6.643 ( 0.000 -0.756 0.111) 0.764 6.928 ( 0.000 2.238 -0.209) 2.247 6.928 ( 0.000 2.238 0.209) 2.247 7.103 ( 0.000 3.462 -4.187) 5.433 7.103 ( 0.000 3.462 4.187) 5.433 7.265 ( 0.000 -0.209 -0.474) 0.519 7.265 ( 0.000 -0.209 0.474) 0.519 7.406 ( 0.000 0.649 -0.582) 0.872 7.406 ( 0.000 0.649 0.582) 0.872 7.510 ( 0.000 0.960 -2.323) 2.514 7.510 ( 0.000 0.960 2.323) 2.514 7.649 ( 0.000 -0.827 -1.798) 1.979 7.649 ( 0.000 -0.827 1.798) 1.979 7.747 ( 0.000 0.112 -0.496) 0.509 7.747 ( 0.000 0.112 0.496) 0.509 7.988 ( 0.000 -4.031 -2.706) 4.855 7.988 ( 0.000 -4.031 2.706) 4.855 8.141 ( 0.000 -2.070 -0.149) 2.075 8.141 ( 0.000 -2.070 0.149) 2.075 8.750 ( 0.000 2.402 -0.167) 2.408 8.750 ( 0.000 2.402 0.167) 2.408 8.948 ( 0.000 1.448 -0.237) 1.467 8.948 ( 0.000 1.448 0.237) 1.467 13.346 ( 0.000 3.252 -1.190) 3.462 13.346 ( 0.000 3.252 1.190) 3.462 13.496 ( 0.000 1.739 -0.706) 1.877 13.496 ( 0.000 1.739 0.706) 1.877 13.821 ( 0.000 0.468 -1.548) 1.617 13.821 ( 0.000 0.468 1.548) 1.617 13.922 ( 0.000 0.265 -3.885) 3.894 13.922 ( 0.000 0.265 3.885) 3.894 15.559 ( 0.000 1.013 -0.379) 1.082 15.559 ( 0.000 1.013 0.379) 1.082 15.731 ( 0.000 -0.242 -1.551) 1.570 15.731 ( 0.000 -0.242 1.551) 1.570 15.895 ( 0.000 1.221 -0.052) 1.222 15.895 ( 0.000 1.221 0.052) 1.222 16.132 ( 0.000 3.712 -4.009) 5.463 16.132 ( 0.000 3.712 4.009) 5.463 16.475 ( 0.000 -0.505 -0.027) 0.506 16.475 ( 0.000 -0.505 0.027) 0.506 16.649 ( 0.000 1.575 -0.449) 1.637 16.649 ( 0.000 1.575 0.449) 1.637 16.877 ( 0.000 -7.273 -0.534) 7.293 16.877 ( 0.000 -7.273 0.534) 7.293 17.081 ( 0.000 -1.994 -6.579) 6.874 17.081 ( 0.000 -1.994 6.579) 6.874 ======================= Grid point 157 (53/60) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( 3.108 5.685 -9.886) 11.820 1.263 ( 3.108 5.685 9.886) 11.820 1.485 ( 1.368 4.393 -9.165) 10.255 1.485 ( 1.368 4.393 9.165) 10.255 1.556 ( 5.183 4.086 -1.489) 6.765 1.556 ( 5.183 4.086 1.489) 6.765 1.863 ( -3.664 0.704 -4.033) 5.494 1.863 ( -3.664 0.704 4.033) 5.494 1.971 ( -1.349 -2.774 -1.806) 3.574 1.971 ( -1.349 -2.774 1.806) 3.574 2.144 ( -4.284 -3.236 -4.224) 6.831 2.144 ( -4.284 -3.236 4.224) 6.831 2.317 ( 3.646 -1.651 -1.926) 4.441 2.317 ( 3.646 -1.651 1.926) 4.441 2.463 ( -2.132 1.857 -6.183) 6.799 2.463 ( -2.132 1.857 6.183) 6.799 2.653 ( 0.940 2.918 -1.432) 3.383 2.653 ( 0.940 2.918 1.432) 3.383 2.709 ( -0.483 3.043 -0.888) 3.206 2.709 ( -0.483 3.043 0.888) 3.206 2.790 ( 1.087 -0.683 -1.651) 2.091 2.790 ( 1.087 -0.682 1.651) 2.091 2.938 ( -0.688 -2.562 -2.815) 3.868 2.938 ( -0.688 -2.562 2.815) 3.868 3.271 ( 3.391 -4.341 -2.098) 5.894 3.271 ( 3.391 -4.341 2.098) 5.894 3.416 ( -1.691 -6.994 -3.928) 8.198 3.416 ( -1.691 -6.994 3.928) 8.198 3.729 ( 2.207 -3.749 -5.062) 6.674 3.729 ( 2.207 -3.749 5.062) 6.674 3.888 ( -3.083 -4.168 -4.217) 6.683 3.888 ( -3.083 -4.168 4.217) 6.683 4.160 ( 0.915 -1.912 -5.324) 5.730 4.160 ( 0.915 -1.912 5.324) 5.730 4.271 ( -1.138 -2.035 -3.882) 4.528 4.271 ( -1.138 -2.035 3.882) 4.528 4.562 ( 0.777 2.563 -3.007) 4.027 4.562 ( 0.777 2.563 3.007) 4.027 4.644 ( -1.565 0.561 -1.420) 2.187 4.644 ( -1.565 0.561 1.420) 2.187 4.777 ( -1.088 -0.510 -3.955) 4.134 4.777 ( -1.088 -0.510 3.955) 4.134 4.873 ( -0.130 2.128 -1.084) 2.391 4.873 ( -0.130 2.128 1.084) 2.391 4.981 ( 2.432 -3.211 -1.982) 4.490 4.981 ( 2.432 -3.211 1.982) 4.490 5.139 ( -3.721 -2.620 -1.424) 4.768 5.139 ( -3.721 -2.620 1.424) 4.768 5.539 ( 4.693 1.128 -3.471) 5.945 5.539 ( 4.693 1.128 3.471) 5.945 5.666 ( 0.279 2.942 -3.148) 4.318 5.666 ( 0.279 2.942 3.148) 4.318 5.769 ( 3.129 1.119 -9.635) 10.192 5.769 ( 3.129 1.119 9.635) 10.192 6.083 ( -6.876 1.487 -6.018) 9.258 6.083 ( -6.876 1.487 6.018) 9.258 6.261 ( 3.034 -2.289 -1.947) 4.271 6.261 ( 3.034 -2.289 1.947) 4.271 6.414 ( -0.722 1.281 -1.317) 1.974 6.414 ( -0.722 1.281 1.317) 1.974 6.626 ( -1.261 -0.950 -2.326) 2.811 6.626 ( -1.261 -0.950 2.326) 2.811 6.901 ( -1.850 0.750 -2.694) 3.353 6.901 ( -1.850 0.750 2.694) 3.353 7.157 ( 4.028 3.295 -3.214) 6.117 7.157 ( 4.028 3.295 3.214) 6.117 7.280 ( 0.727 1.359 -3.272) 3.617 7.280 ( 0.727 1.359 3.272) 3.617 7.405 ( 0.469 0.682 -1.735) 1.922 7.405 ( 0.469 0.682 1.735) 1.922 7.496 ( -1.298 1.333 -2.481) 3.101 7.496 ( -1.298 1.333 2.481) 3.101 7.650 ( -0.179 -0.936 -3.168) 3.308 7.650 ( -0.179 -0.936 3.168) 3.308 7.739 ( -0.559 0.624 -3.669) 3.764 7.739 ( -0.559 0.624 3.669) 3.764 7.994 ( 0.685 -3.989 -4.657) 6.170 7.994 ( 0.685 -3.989 4.657) 6.170 8.124 ( -1.448 -2.203 -4.057) 4.839 8.124 ( -1.448 -2.203 4.057) 4.839 8.780 ( 2.645 2.390 -0.774) 3.648 8.780 ( 2.645 2.390 0.774) 3.648 8.919 ( -2.537 1.747 -0.590) 3.136 8.919 ( -2.537 1.747 0.590) 3.136 13.366 ( 1.775 3.043 -1.311) 3.759 13.366 ( 1.775 3.043 1.311) 3.759 13.468 ( -2.298 1.811 -1.249) 3.181 13.468 ( -2.298 1.811 1.249) 3.181 13.832 ( 0.878 0.881 -1.434) 1.898 13.832 ( 0.878 0.881 1.434) 1.898 13.921 ( -0.265 1.204 -4.300) 4.473 13.921 ( -0.265 1.204 4.300) 4.473 15.579 ( 1.753 -0.194 -1.012) 2.033 15.579 ( 1.753 -0.194 1.012) 2.033 15.716 ( -1.304 -0.326 -1.540) 2.044 15.716 ( -1.304 -0.326 1.540) 2.044 15.915 ( 1.698 0.968 -1.521) 2.476 15.915 ( 1.698 0.968 1.521) 2.476 16.096 ( -2.810 3.421 -3.641) 5.733 16.096 ( -2.810 3.421 3.641) 5.733 16.498 ( 1.998 -0.268 -0.234) 2.030 16.498 ( 1.998 -0.268 0.234) 2.030 16.614 ( -2.777 0.528 -0.662) 2.904 16.614 ( -2.777 0.528 0.662) 2.904 16.920 ( 3.412 -5.571 -2.532) 7.006 16.920 ( 3.412 -5.571 2.532) 7.006 17.060 ( -1.954 -2.200 -6.046) 6.724 17.060 ( -1.954 -2.200 6.046) 6.724 ======================= Grid point 159 (54/60) ======================= q-point: (-0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( -0.000 2.277 -8.775) 9.066 1.381 ( 0.000 2.277 8.775) 9.066 1.388 ( 0.000 0.918 -11.011) 11.049 1.388 ( 0.000 0.918 11.011) 11.049 1.717 ( 0.000 4.963 -5.120) 7.130 1.717 ( -0.000 4.963 5.120) 7.130 1.753 ( 0.000 5.079 -6.224) 8.033 1.753 ( 0.000 5.079 6.224) 8.034 1.977 ( 0.000 -3.941 -1.150) 4.105 1.977 ( 0.000 -3.941 1.150) 4.105 2.077 ( 0.000 -3.189 -5.469) 6.331 2.077 ( 0.000 -3.189 5.469) 6.331 2.366 ( 0.000 0.026 -5.527) 5.527 2.366 ( 0.000 0.026 5.527) 5.527 2.428 ( -0.000 -0.750 -2.365) 2.481 2.428 ( 0.000 -0.750 2.365) 2.481 2.674 ( 0.000 0.077 -1.906) 1.907 2.674 ( 0.000 0.077 1.906) 1.907 2.687 ( -0.000 5.590 -3.449) 6.568 2.687 ( -0.000 5.590 3.449) 6.568 2.822 ( 0.000 0.053 -4.262) 4.262 2.822 ( 0.000 0.053 4.262) 4.262 2.918 ( 0.000 -1.934 -3.406) 3.916 2.918 ( 0.000 -1.934 3.406) 3.916 3.323 ( 0.000 -4.048 -4.140) 5.790 3.323 ( 0.000 -4.048 4.140) 5.790 3.387 ( 0.000 -7.349 -3.481) 8.132 3.387 ( 0.000 -7.349 3.481) 8.132 3.778 ( 0.000 -4.400 -6.549) 7.890 3.778 ( -0.000 -4.400 6.549) 7.890 3.828 ( 0.000 -2.538 -3.696) 4.483 3.828 ( 0.000 -2.538 3.696) 4.483 4.178 ( 0.000 -1.849 -5.604) 5.901 4.178 ( 0.000 -1.849 5.604) 5.901 4.250 ( -0.000 -2.051 -5.606) 5.969 4.250 ( 0.000 -2.051 5.606) 5.969 4.577 ( 0.000 2.684 -3.931) 4.760 4.577 ( -0.000 2.684 3.931) 4.760 4.616 ( 0.000 1.217 -1.270) 1.759 4.616 ( 0.000 1.217 1.270) 1.759 4.768 ( 0.000 -1.085 -4.330) 4.464 4.768 ( 0.000 -1.085 4.330) 4.464 4.869 ( 0.000 1.432 -1.883) 2.366 4.869 ( 0.000 1.432 1.883) 2.366 5.041 ( -0.000 -3.156 -4.271) 5.311 5.041 ( 0.000 -3.156 4.271) 5.311 5.067 ( -0.000 -1.710 -5.986) 6.225 5.067 ( 0.000 -1.710 5.986) 6.225 5.591 ( 0.000 2.086 -6.051) 6.400 5.591 ( 0.000 2.086 6.051) 6.400 5.667 ( 0.000 4.179 -4.864) 6.413 5.667 ( 0.000 4.179 4.864) 6.413 5.901 ( 0.000 -0.450 -8.963) 8.975 5.901 ( 0.000 -0.450 8.963) 8.975 5.905 ( -0.000 1.112 -6.313) 6.410 5.905 ( -0.000 1.112 6.313) 6.410 6.344 ( 0.000 -2.872 -0.416) 2.902 6.344 ( 0.000 -2.872 0.416) 2.902 6.368 ( -0.000 -0.571 -3.643) 3.688 6.368 ( -0.000 -0.571 3.643) 3.688 6.609 ( -0.000 -0.532 -3.002) 3.049 6.609 ( 0.000 -0.532 3.002) 3.049 6.877 ( 0.000 0.039 -3.023) 3.023 6.877 ( 0.000 0.039 3.023) 3.023 7.219 ( 0.000 0.847 -6.033) 6.092 7.219 ( 0.000 0.847 6.033) 6.092 7.274 ( 0.000 3.257 -3.205) 4.569 7.274 ( -0.000 3.257 3.205) 4.569 7.436 ( -0.000 2.564 -1.208) 2.835 7.436 ( 0.000 2.564 1.208) 2.835 7.461 ( 0.000 1.521 -3.164) 3.511 7.461 ( -0.000 1.521 3.164) 3.511 7.645 ( 0.000 -1.545 -4.264) 4.535 7.645 ( 0.000 -1.545 4.264) 4.535 7.732 ( 0.000 0.882 -7.489) 7.541 7.732 ( 0.000 0.882 7.489) 7.541 8.008 ( 0.000 -3.522 -6.442) 7.342 8.008 ( 0.000 -3.522 6.442) 7.342 8.100 ( 0.000 -2.550 -6.877) 7.334 8.100 ( 0.000 -2.550 6.877) 7.334 8.843 ( 0.000 2.211 -5.454) 5.885 8.843 ( 0.000 2.211 5.454) 5.885 8.858 ( -0.000 2.205 -4.902) 5.376 8.858 ( 0.000 2.205 4.902) 5.376 13.414 ( 0.000 1.464 -0.728) 1.635 13.414 ( -0.000 1.464 0.728) 1.635 13.414 ( -0.000 3.329 -2.564) 4.202 13.414 ( -0.000 3.329 2.564) 4.202 13.845 ( 0.000 0.913 -3.731) 3.841 13.845 ( 0.000 0.913 3.731) 3.841 13.915 ( 0.000 2.427 -5.406) 5.926 13.915 ( 0.000 2.427 5.406) 5.926 15.609 ( 0.000 -1.728 -1.456) 2.259 15.609 ( 0.000 -1.728 1.456) 2.259 15.693 ( 0.000 -0.071 -1.499) 1.500 15.693 ( 0.000 -0.071 1.499) 1.500 15.943 ( 0.000 0.312 -2.616) 2.634 15.943 ( 0.000 0.312 2.616) 2.634 16.053 ( 0.000 3.625 -3.484) 5.028 16.053 ( -0.000 3.625 3.484) 5.028 16.544 ( 0.000 0.080 -0.922) 0.926 16.544 ( -0.000 0.080 0.922) 0.926 16.558 ( 0.000 -0.184 -1.109) 1.124 16.558 ( -0.000 -0.184 1.109) 1.124 16.984 ( 0.000 -4.535 -3.867) 5.960 16.984 ( -0.000 -4.535 3.867) 5.960 17.013 ( -0.000 -2.266 -5.761) 6.191 17.013 ( 0.000 -2.266 5.761) 6.191 ======================= Grid point 165 (55/60) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( 0.000 3.941 -1.397) 4.182 1.426 ( 0.000 3.941 1.397) 4.182 1.560 ( 0.000 9.242 -0.832) 9.280 1.560 ( 0.000 9.242 0.832) 9.280 1.599 ( 0.000 5.452 -3.539) 6.500 1.599 ( 0.000 5.452 3.539) 6.500 1.855 ( 0.000 -0.162 -1.225) 1.236 1.855 ( 0.000 -0.162 1.225) 1.236 1.966 ( 0.000 -5.113 -0.102) 5.114 1.966 ( 0.000 -5.113 0.102) 5.114 2.127 ( 0.000 -3.970 -0.979) 4.088 2.127 ( 0.000 -3.970 0.979) 4.088 2.209 ( 0.000 -1.467 -1.771) 2.299 2.209 ( 0.000 -1.467 1.771) 2.299 2.501 ( 0.000 -2.176 -2.678) 3.451 2.501 ( 0.000 -2.176 2.678) 3.451 2.686 ( 0.000 -0.936 -1.003) 1.372 2.686 ( 0.000 -0.936 1.003) 1.372 2.715 ( 0.000 0.949 -0.342) 1.009 2.715 ( 0.000 0.949 0.342) 1.009 2.815 ( 0.000 4.149 -0.787) 4.223 2.815 ( 0.000 4.149 0.787) 4.223 2.910 ( 0.000 -0.862 -1.094) 1.393 2.910 ( 0.000 -0.862 1.094) 1.393 3.127 ( 0.000 -5.076 -2.065) 5.480 3.127 ( 0.000 -5.076 2.065) 5.480 3.343 ( 0.000 -2.607 -1.820) 3.179 3.343 ( 0.000 -2.607 1.820) 3.179 3.664 ( 0.000 0.220 -2.936) 2.945 3.664 ( 0.000 0.220 2.936) 2.945 3.835 ( 0.000 -2.904 -6.414) 7.041 3.835 ( 0.000 -2.904 6.414) 7.041 4.122 ( 0.000 -0.013 -5.572) 5.572 4.122 ( 0.000 -0.013 5.572) 5.572 4.241 ( 0.000 -2.683 -2.431) 3.620 4.241 ( 0.000 -2.683 2.431) 3.620 4.552 ( 0.000 -2.401 -1.636) 2.905 4.552 ( 0.000 -2.401 1.636) 2.905 4.660 ( 0.000 0.761 -1.566) 1.741 4.660 ( 0.000 0.761 1.566) 1.741 4.791 ( 0.000 -1.043 -2.663) 2.860 4.791 ( 0.000 -1.043 2.663) 2.860 4.859 ( 0.000 -2.507 -3.037) 3.938 4.859 ( 0.000 -2.507 3.037) 3.938 4.950 ( 0.000 2.267 -1.889) 2.951 4.950 ( 0.000 2.267 1.889) 2.951 5.147 ( 0.000 -1.091 -0.797) 1.350 5.147 ( 0.000 -1.091 0.797) 1.350 5.469 ( 0.000 0.498 -0.311) 0.587 5.469 ( 0.000 0.498 0.311) 0.587 5.686 ( 0.000 -0.088 -3.411) 3.412 5.686 ( 0.000 -0.088 3.411) 3.412 5.814 ( 0.000 3.404 -1.613) 3.766 5.814 ( 0.000 3.404 1.613) 3.766 6.115 ( 0.000 -1.093 -1.010) 1.488 6.115 ( 0.000 -1.093 1.010) 1.488 6.253 ( 0.000 -0.289 -1.190) 1.224 6.253 ( 0.000 -0.289 1.190) 1.224 6.479 ( 0.000 2.644 -1.269) 2.933 6.479 ( 0.000 2.644 1.269) 2.933 6.635 ( 0.000 -0.056 -0.462) 0.465 6.635 ( 0.000 -0.056 0.462) 0.465 6.948 ( 0.000 0.080 -0.989) 0.992 6.948 ( 0.000 0.080 0.989) 0.992 7.167 ( 0.000 1.737 -3.188) 3.631 7.167 ( 0.000 1.737 3.188) 3.631 7.260 ( 0.000 0.307 -1.424) 1.457 7.260 ( 0.000 0.307 1.424) 1.457 7.424 ( 0.000 0.836 -0.460) 0.954 7.424 ( 0.000 0.836 0.460) 0.954 7.543 ( 0.000 2.264 -3.363) 4.054 7.543 ( 0.000 2.264 3.363) 4.054 7.634 ( 0.000 -0.537 -2.136) 2.202 7.634 ( 0.000 -0.537 2.136) 2.202 7.745 ( 0.000 -0.497 -2.399) 2.450 7.745 ( 0.000 -0.497 2.399) 2.450 7.915 ( 0.000 -2.807 -4.365) 5.190 7.915 ( 0.000 -2.807 4.365) 5.190 8.112 ( 0.000 -0.799 -2.199) 2.340 8.112 ( 0.000 -0.799 2.199) 2.340 8.789 ( 0.000 1.426 -1.264) 1.906 8.789 ( 0.000 1.426 1.264) 1.906 8.965 ( 0.000 0.220 -1.079) 1.101 8.965 ( 0.000 0.220 1.079) 1.101 13.401 ( 0.000 1.847 -0.681) 1.969 13.401 ( 0.000 1.847 0.681) 1.969 13.531 ( 0.000 1.436 -0.038) 1.436 13.531 ( 0.000 1.436 0.038) 1.436 13.811 ( 0.000 -0.799 -1.707) 1.884 13.811 ( 0.000 -0.799 1.707) 1.884 13.957 ( 0.000 2.077 -0.593) 2.160 13.957 ( 0.000 2.077 0.593) 2.160 15.590 ( 0.000 1.819 -0.341) 1.850 15.590 ( 0.000 1.819 0.341) 1.850 15.720 ( 0.000 -0.748 -0.791) 1.089 15.720 ( 0.000 -0.748 0.791) 1.089 15.913 ( 0.000 0.488 -0.220) 0.535 15.913 ( 0.000 0.488 0.220) 0.535 16.173 ( 0.000 0.344 -3.449) 3.466 16.173 ( 0.000 0.344 3.449) 3.466 16.481 ( 0.000 1.029 -0.142) 1.039 16.481 ( 0.000 1.029 0.142) 1.039 16.679 ( 0.000 1.136 -0.306) 1.177 16.679 ( 0.000 1.136 0.306) 1.177 16.742 ( 0.000 -5.081 -0.471) 5.103 16.742 ( 0.000 -5.081 0.471) 5.103 17.045 ( 0.000 -1.346 -4.203) 4.413 17.045 ( 0.000 -1.346 4.203) 4.413 ======================= Grid point 167 (56/60) ======================= q-point: ( 0.25 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( -0.655 4.881 -4.634) 6.762 1.387 ( -0.655 4.881 4.634) 6.762 1.538 ( -3.438 2.672 -6.197) 7.574 1.538 ( -3.438 2.672 6.197) 7.574 1.690 ( 6.141 5.775 -3.203) 9.018 1.690 ( 6.141 5.775 3.203) 9.018 1.852 ( -0.343 -0.153 -1.903) 1.940 1.852 ( -0.343 -0.153 1.903) 1.940 1.943 ( -0.612 -0.654 -4.207) 4.302 1.943 ( -0.612 -0.654 4.207) 4.302 2.095 ( -2.676 -0.992 -2.736) 3.953 2.095 ( -2.676 -0.992 2.736) 3.953 2.254 ( 3.374 -4.214 -0.779) 5.454 2.254 ( 3.374 -4.214 0.779) 5.454 2.448 ( -4.152 -3.066 -2.609) 5.783 2.448 ( -4.152 -3.066 2.609) 5.783 2.671 ( -0.516 -0.158 -1.995) 2.067 2.671 ( -0.516 -0.158 1.995) 2.067 2.736 ( 0.762 -0.096 -1.001) 1.261 2.736 ( 0.762 -0.096 1.001) 1.261 2.835 ( 1.667 3.000 -2.788) 4.422 2.835 ( 1.667 3.000 2.788) 4.422 2.895 ( -1.147 -0.973 -0.440) 1.567 2.895 ( -1.147 -0.973 0.440) 1.567 3.183 ( 4.189 -4.094 -1.760) 6.116 3.183 ( 4.189 -4.094 1.760) 6.116 3.322 ( -1.760 -1.866 -4.529) 5.205 3.322 ( -1.760 -1.866 4.529) 5.205 3.688 ( 2.062 -0.155 -5.301) 5.690 3.688 ( 2.062 -0.155 5.301) 5.690 3.821 ( -1.350 -2.149 -5.727) 6.264 3.821 ( -1.350 -2.149 5.727) 6.264 4.135 ( 1.153 -0.071 -5.307) 5.431 4.135 ( 1.153 -0.071 5.307) 5.431 4.226 ( -1.385 -2.449 -4.119) 4.988 4.226 ( -1.385 -2.449 4.119) 4.988 4.574 ( 1.915 -1.467 -1.761) 2.987 4.574 ( 1.915 -1.467 1.761) 2.987 4.659 ( -0.375 0.927 -1.485) 1.791 4.659 ( -0.375 0.927 1.485) 1.791 4.760 ( -2.181 -0.393 -2.466) 3.316 4.760 ( -2.181 -0.393 2.466) 3.316 4.848 ( -0.501 -2.973 -2.441) 3.879 4.848 ( -0.501 -2.973 2.441) 3.879 4.971 ( 1.516 0.932 -2.083) 2.740 4.971 ( 1.516 0.932 2.083) 2.740 5.106 ( -2.959 -0.652 -1.069) 3.213 5.106 ( -2.959 -0.652 1.069) 3.213 5.557 ( 6.145 0.576 -2.155) 6.538 5.557 ( 6.145 0.576 2.155) 6.538 5.700 ( 1.791 0.531 -2.773) 3.344 5.700 ( 1.791 0.531 2.773) 3.344 5.811 ( 0.226 2.124 -6.408) 6.754 5.811 ( 0.226 2.124 6.408) 6.754 6.093 ( -5.834 0.023 -3.871) 7.001 6.093 ( -5.834 0.023 3.871) 7.001 6.227 ( 1.725 -1.048 -1.104) 2.301 6.227 ( 1.725 -1.048 1.104) 2.301 6.455 ( -2.987 2.049 -2.375) 4.332 6.455 ( -2.987 2.049 2.375) 4.332 6.613 ( -1.274 -0.470 -2.433) 2.787 6.613 ( -1.274 -0.470 2.433) 2.787 6.904 ( -2.649 -0.271 -2.504) 3.655 6.904 ( -2.649 -0.271 2.504) 3.655 7.190 ( 1.669 0.157 -3.878) 4.225 7.190 ( 1.669 0.157 3.878) 4.225 7.296 ( 1.210 0.362 -1.673) 2.096 7.296 ( 1.210 0.362 1.673) 2.096 7.432 ( 2.033 1.447 -2.075) 3.245 7.432 ( 2.033 1.447 2.075) 3.245 7.540 ( -0.322 2.687 -2.686) 3.813 7.540 ( -0.322 2.687 2.686) 3.813 7.637 ( -0.297 -0.324 -3.750) 3.776 7.637 ( -0.297 -0.324 3.750) 3.776 7.756 ( 0.392 0.755 -1.607) 1.818 7.756 ( 0.392 0.755 1.607) 1.818 7.922 ( 1.291 -2.901 -4.689) 5.663 7.922 ( 1.291 -2.901 4.689) 5.663 8.096 ( -1.573 -0.649 -3.490) 3.883 8.096 ( -1.573 -0.649 3.490) 3.883 8.815 ( 2.341 1.148 -1.465) 2.991 8.815 ( 2.341 1.148 1.465) 2.991 8.940 ( -2.220 0.326 -1.306) 2.596 8.940 ( -2.220 0.326 1.306) 2.596 13.415 ( 1.177 1.544 -0.884) 2.133 13.415 ( 1.177 1.544 0.884) 2.133 13.505 ( -1.885 1.554 -2.404) 3.428 13.505 ( -1.885 1.554 2.404) 3.428 13.840 ( 2.069 0.137 -0.948) 2.280 13.840 ( 2.069 0.137 0.948) 2.280 13.960 ( 0.209 1.974 -3.501) 4.024 13.960 ( 0.209 1.974 3.501) 4.024 15.583 ( -0.415 0.542 -0.861) 1.099 15.583 ( -0.415 0.542 0.861) 1.099 15.706 ( -1.169 -0.648 -0.989) 1.663 15.706 ( -1.169 -0.648 0.989) 1.663 15.926 ( 0.966 0.090 -1.319) 1.637 15.926 ( 0.966 0.090 1.319) 1.637 16.144 ( -2.179 1.148 -4.225) 4.890 16.144 ( -2.179 1.148 4.225) 4.890 16.501 ( 1.731 0.528 -0.612) 1.911 16.501 ( 1.731 0.528 0.612) 1.911 16.611 ( -3.585 -0.758 -0.805) 3.752 16.611 ( -3.585 -0.758 0.805) 3.752 16.830 ( 5.178 -2.717 -1.783) 6.114 16.830 ( 5.178 -2.717 1.783) 6.114 17.024 ( -1.937 -1.183 -4.031) 4.626 17.024 ( -1.937 -1.183 4.031) 4.626 ======================= Grid point 169 (57/60) ======================= q-point: (-0.50 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( -0.000 1.692 -6.949) 7.152 1.423 ( 0.000 1.692 6.949) 7.152 1.450 ( 0.000 3.676 -5.927) 6.975 1.450 ( -0.000 3.676 5.927) 6.975 1.795 ( -0.000 2.373 -4.961) 5.499 1.795 ( -0.000 2.373 4.961) 5.499 1.807 ( 0.000 -0.025 -6.793) 6.793 1.807 ( 0.000 -0.025 6.793) 6.793 1.964 ( -0.000 2.823 -6.028) 6.656 1.964 ( 0.000 2.823 6.028) 6.656 2.049 ( -0.000 1.405 -5.386) 5.566 2.049 ( 0.000 1.405 5.386) 5.566 2.312 ( 0.000 -5.092 -4.905) 7.070 2.312 ( 0.000 -5.092 4.905) 7.070 2.378 ( -0.000 -4.206 -3.146) 5.252 2.378 ( -0.000 -4.206 3.146) 5.252 2.665 ( 0.000 0.144 -2.447) 2.451 2.665 ( 0.000 0.144 2.447) 2.451 2.744 ( 0.000 -0.458 -1.100) 1.192 2.744 ( 0.000 -0.458 1.100) 1.192 2.865 ( 0.000 -3.152 -1.674) 3.569 2.865 ( 0.000 -3.152 1.674) 3.569 2.872 ( -0.000 4.309 -3.494) 5.548 2.872 ( -0.000 4.309 3.494) 5.548 3.250 ( 0.000 -4.991 -2.594) 5.625 3.250 ( 0.000 -4.991 2.594) 5.625 3.286 ( -0.000 0.100 -5.127) 5.128 3.286 ( 0.000 0.100 5.127) 5.128 3.725 ( 0.000 -0.812 -7.817) 7.859 3.725 ( -0.000 -0.812 7.817) 7.859 3.794 ( 0.000 -1.022 -4.249) 4.371 3.794 ( 0.000 -1.022 4.249) 4.371 4.157 ( 0.000 -0.091 -4.475) 4.476 4.157 ( -0.000 -0.091 4.475) 4.476 4.200 ( -0.000 -2.194 -6.217) 6.592 4.200 ( 0.000 -2.194 6.217) 6.592 4.611 ( 0.000 -0.105 -1.816) 1.819 4.611 ( -0.000 -0.105 1.816) 1.819 4.639 ( -0.000 1.131 -0.773) 1.370 4.639 ( 0.000 1.131 0.773) 1.370 4.736 ( 0.000 -0.809 -1.959) 2.120 4.736 ( 0.000 -0.809 1.959) 2.120 4.842 ( -0.000 -2.959 -1.852) 3.491 4.842 ( 0.000 -2.959 1.852) 3.491 4.997 ( -0.000 -1.320 -3.768) 3.993 4.997 ( 0.000 -1.320 3.768) 3.993 5.061 ( -0.000 0.548 -5.154) 5.183 5.061 ( 0.000 0.548 5.154) 5.183 5.624 ( 0.000 1.134 -3.086) 3.288 5.624 ( 0.000 1.134 3.086) 3.288 5.743 ( 0.000 2.879 -3.868) 4.822 5.743 ( 0.000 2.879 3.868) 4.822 5.886 ( 0.000 -0.844 -7.482) 7.529 5.886 ( 0.000 -0.844 7.482) 7.529 5.916 ( -0.000 -0.085 -5.796) 5.797 5.916 ( -0.000 -0.085 5.796) 5.797 6.301 ( 0.000 -1.215 -1.422) 1.870 6.301 ( 0.000 -1.215 1.422) 1.870 6.378 ( 0.000 1.172 -4.638) 4.784 6.378 ( 0.000 1.172 4.639) 4.784 6.601 ( 0.000 -0.401 -2.855) 2.883 6.601 ( 0.000 -0.401 2.855) 2.883 6.873 ( 0.000 -0.355 -2.357) 2.384 6.873 ( 0.000 -0.355 2.357) 2.384 7.215 ( 0.000 -0.698 -5.428) 5.473 7.215 ( 0.000 -0.698 5.428) 5.473 7.294 ( 0.000 -0.200 -1.935) 1.945 7.294 ( 0.000 -0.200 1.935) 1.945 7.498 ( 0.000 1.988 -3.087) 3.672 7.498 ( -0.000 1.988 3.087) 3.672 7.508 ( 0.000 2.476 -4.651) 5.269 7.508 ( -0.000 2.476 4.651) 5.269 7.637 ( 0.000 0.895 -5.279) 5.354 7.637 ( 0.000 0.895 5.279) 5.354 7.747 ( 0.000 0.457 -5.474) 5.493 7.747 ( -0.000 0.457 5.474) 5.493 7.957 ( 0.000 -1.520 -4.735) 4.973 7.957 ( 0.000 -1.520 4.735) 4.973 8.064 ( 0.000 -0.951 -5.031) 5.120 8.064 ( 0.000 -0.951 5.031) 5.120 8.871 ( -0.000 0.631 -6.425) 6.456 8.871 ( -0.000 0.631 6.425) 6.456 8.886 ( 0.000 0.676 -6.039) 6.077 8.886 ( 0.000 0.676 6.039) 6.077 13.435 ( 0.000 0.631 -0.976) 1.162 13.435 ( 0.000 0.631 0.976) 1.162 13.477 ( 0.000 2.370 -3.085) 3.890 13.477 ( 0.000 2.370 3.085) 3.890 13.867 ( 0.000 0.977 -2.025) 2.248 13.867 ( -0.000 0.977 2.025) 2.248 13.963 ( 0.000 1.919 -6.242) 6.530 13.963 ( 0.000 1.919 6.242) 6.530 15.579 ( 0.000 -1.082 -1.162) 1.588 15.579 ( 0.000 -1.082 1.162) 1.588 15.689 ( -0.000 -0.253 -1.137) 1.165 15.689 ( 0.000 -0.253 1.137) 1.165 15.940 ( 0.000 -0.465 -1.965) 2.019 15.940 ( 0.000 -0.465 1.965) 2.019 16.114 ( 0.000 2.064 -4.994) 5.404 16.114 ( 0.000 2.064 4.994) 5.404 16.545 ( -0.000 -0.001 -1.178) 1.178 16.545 ( -0.000 -0.001 1.178) 1.178 16.549 ( 0.000 -0.624 -0.924) 1.115 16.549 ( 0.000 -0.624 0.924) 1.115 16.907 ( 0.000 -2.639 -2.374) 3.550 16.907 ( 0.000 -2.639 2.374) 3.550 16.984 ( -0.000 -0.679 -4.168) 4.223 16.984 ( 0.000 -0.679 4.168) 4.223 ======================= Grid point 175 (58/60) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( 0.000 0.000 0.000) 0.000 1.455 ( 0.000 0.000 0.000) 0.000 1.666 ( 0.000 0.000 0.000) 0.000 1.666 ( 0.000 0.000 0.000) 0.000 1.730 ( 0.000 0.000 -0.000) 0.000 1.730 ( 0.000 0.000 0.000) 0.000 1.823 ( 0.000 -0.000 -0.000) 0.000 1.823 ( 0.000 0.000 0.000) 0.000 1.888 ( 0.000 0.000 0.000) 0.000 1.888 ( 0.000 0.000 0.000) 0.000 2.075 ( 0.000 0.000 0.000) 0.000 2.075 ( 0.000 0.000 0.000) 0.000 2.199 ( 0.000 0.000 0.000) 0.000 2.199 ( 0.000 0.000 0.000) 0.000 2.460 ( 0.000 0.000 0.000) 0.000 2.460 ( 0.000 0.000 0.000) 0.000 2.658 ( 0.000 0.000 0.000) 0.000 2.658 ( 0.000 0.000 0.000) 0.000 2.753 ( 0.000 0.000 0.000) 0.000 2.753 ( 0.000 0.000 0.000) 0.000 2.862 ( 0.000 0.000 -0.000) 0.000 2.862 ( 0.000 0.000 0.000) 0.000 2.904 ( 0.000 0.000 0.000) 0.000 2.904 ( 0.000 0.000 0.000) 0.000 3.057 ( 0.000 0.000 0.000) 0.000 3.057 ( 0.000 0.000 0.000) 0.000 3.317 ( 0.000 0.000 0.000) 0.000 3.317 ( 0.000 0.000 0.000) 0.000 3.681 ( 0.000 0.000 0.000) 0.000 3.681 ( 0.000 0.000 0.000) 0.000 3.802 ( 0.000 0.000 0.000) 0.000 3.802 ( 0.000 0.000 0.000) 0.000 4.153 ( 0.000 0.000 -0.000) 0.000 4.153 ( 0.000 0.000 0.000) 0.000 4.180 ( 0.000 -0.000 -0.000) 0.000 4.180 ( 0.000 -0.000 0.000) 0.000 4.515 ( 0.000 0.000 0.000) 0.000 4.515 ( 0.000 0.000 0.000) 0.000 4.671 ( 0.000 0.000 0.000) 0.000 4.671 ( 0.000 0.000 0.000) 0.000 4.773 ( 0.000 0.000 0.000) 0.000 4.773 ( 0.000 0.000 0.000) 0.000 4.837 ( 0.000 0.000 -0.000) 0.000 4.837 ( 0.000 0.000 -0.000) 0.000 4.975 ( 0.000 0.000 0.000) 0.000 4.975 ( 0.000 0.000 0.000) 0.000 5.137 ( 0.000 0.000 0.000) 0.000 5.137 ( 0.000 0.000 0.000) 0.000 5.476 ( 0.000 0.000 0.000) 0.000 5.476 ( 0.000 0.000 0.000) 0.000 5.683 ( 0.000 0.000 0.000) 0.000 5.683 ( 0.000 0.000 0.000) 0.000 5.853 ( 0.000 0.000 -0.000) 0.000 5.853 ( 0.000 0.000 0.000) 0.000 6.104 ( 0.000 0.000 -0.000) 0.000 6.104 ( 0.000 0.000 0.000) 0.000 6.249 ( 0.000 0.000 0.000) 0.000 6.249 ( 0.000 0.000 0.000) 0.000 6.507 ( 0.000 0.000 0.000) 0.000 6.507 ( 0.000 0.000 0.000) 0.000 6.636 ( 0.000 0.000 -0.000) 0.000 6.636 ( 0.000 0.000 0.000) 0.000 6.946 ( 0.000 0.000 0.000) 0.000 6.946 ( 0.000 0.000 0.000) 0.000 7.179 ( 0.000 0.000 0.000) 0.000 7.179 ( 0.000 0.000 0.000) 0.000 7.268 ( 0.000 0.000 0.000) 0.000 7.268 ( 0.000 0.000 0.000) 0.000 7.435 ( 0.000 0.000 0.000) 0.000 7.435 ( 0.000 0.000 0.000) 0.000 7.575 ( 0.000 0.000 -0.000) 0.000 7.575 ( 0.000 0.000 0.000) 0.000 7.629 ( 0.000 0.000 -0.000) 0.000 7.629 ( 0.000 0.000 0.000) 0.000 7.735 ( 0.000 0.000 0.000) 0.000 7.735 ( 0.000 0.000 0.000) 0.000 7.883 ( 0.000 0.000 0.000) 0.000 7.883 ( 0.000 0.000 0.000) 0.000 8.104 ( 0.000 0.000 0.000) 0.000 8.104 ( 0.000 0.000 0.000) 0.000 8.806 ( 0.000 0.000 0.000) 0.000 8.806 ( 0.000 0.000 0.000) 0.000 8.965 ( 0.000 0.000 -0.000) 0.000 8.965 ( 0.000 0.000 0.000) 0.000 13.420 ( 0.000 0.000 0.000) 0.000 13.420 ( 0.000 0.000 0.000) 0.000 13.547 ( 0.000 0.000 0.000) 0.000 13.547 ( 0.000 0.000 0.000) 0.000 13.801 ( 0.000 0.000 0.000) 0.000 13.801 ( 0.000 0.000 0.000) 0.000 13.982 ( 0.000 0.000 0.000) 0.000 13.982 ( 0.000 0.000 0.000) 0.000 15.616 ( 0.000 0.000 0.000) 0.000 15.616 ( 0.000 0.000 0.000) 0.000 15.708 ( 0.000 -0.000 0.000) 0.000 15.708 ( 0.000 0.000 0.000) 0.000 15.917 ( 0.000 0.000 0.000) 0.000 15.917 ( 0.000 0.000 0.000) 0.000 16.170 ( 0.000 0.000 0.000) 0.000 16.170 ( 0.000 0.000 0.000) 0.000 16.498 ( 0.000 0.000 0.000) 0.000 16.498 ( 0.000 0.000 0.000) 0.000 16.681 ( 0.000 0.000 0.000) 0.000 16.681 ( 0.000 0.000 0.000) 0.000 16.696 ( 0.000 0.000 -0.000) 0.000 16.696 ( 0.000 0.000 0.000) 0.000 17.030 ( 0.000 0.000 0.000) 0.000 17.030 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 179 (59/60) ======================= q-point: ( 0.25 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( -0.833 0.000 -1.117) 1.393 1.434 ( -0.833 0.000 1.117) 1.393 1.584 ( -5.903 0.000 -2.206) 6.302 1.584 ( -5.903 0.000 2.206) 6.302 1.752 ( 2.046 0.000 -0.145) 2.051 1.752 ( 2.046 0.000 0.145) 2.051 1.838 ( 0.791 0.000 -0.218) 0.821 1.838 ( 0.791 0.000 0.218) 0.821 1.963 ( 4.447 0.000 -3.370) 5.580 1.963 ( 4.447 0.000 3.370) 5.580 2.076 ( 0.550 0.000 -0.706) 0.894 2.076 ( 0.550 0.000 0.706) 0.894 2.204 ( 0.705 0.000 -2.466) 2.565 2.204 ( 0.705 0.000 2.466) 2.565 2.396 ( -5.255 0.000 -0.068) 5.256 2.396 ( -5.255 0.000 0.068) 5.256 2.665 ( 0.703 0.000 -2.028) 2.146 2.665 ( 0.703 0.000 2.028) 2.146 2.748 ( -1.088 0.000 -0.490) 1.194 2.748 ( -1.088 0.000 0.490) 1.194 2.824 ( -1.076 0.000 -0.527) 1.198 2.824 ( -1.076 0.000 0.527) 1.198 2.920 ( 0.655 0.000 -0.568) 0.867 2.920 ( 0.655 0.000 0.568) 0.867 3.132 ( 4.986 0.000 -1.369) 5.170 3.132 ( 4.986 0.000 1.369) 5.170 3.310 ( -0.715 0.000 -4.879) 4.932 3.310 ( -0.715 0.000 4.879) 4.932 3.696 ( 1.380 0.000 -4.287) 4.504 3.696 ( 1.380 0.000 4.287) 4.504 3.797 ( -0.641 0.000 -1.471) 1.604 3.797 ( -0.641 0.000 1.471) 1.604 4.156 ( 0.253 0.000 -1.376) 1.399 4.156 ( 0.253 0.000 1.376) 1.399 4.179 ( -0.182 -0.000 -3.773) 3.777 4.179 ( -0.182 -0.000 3.773) 3.777 4.548 ( 2.798 0.000 -0.944) 2.953 4.548 ( 2.798 0.000 0.944) 2.953 4.671 ( -0.251 0.000 -0.189) 0.314 4.671 ( -0.251 0.000 0.189) 0.314 4.759 ( -1.451 0.000 -2.115) 2.565 4.759 ( -1.451 0.000 2.116) 2.565 4.812 ( -1.335 0.000 -1.208) 1.800 4.812 ( -1.335 0.000 1.208) 1.800 4.981 ( 0.242 0.000 -0.358) 0.432 4.981 ( 0.242 0.000 0.358) 0.432 5.101 ( -2.511 0.000 -0.621) 2.587 5.101 ( -2.511 0.000 0.621) 2.587 5.563 ( 6.454 0.000 -0.848) 6.510 5.563 ( 6.454 0.000 0.848) 6.510 5.704 ( 2.565 0.000 -1.257) 2.857 5.704 ( 2.565 0.000 1.257) 2.857 5.834 ( -1.147 0.000 -4.041) 4.201 5.834 ( -1.147 0.000 4.041) 4.201 6.093 ( -5.523 0.000 -0.336) 5.533 6.093 ( -5.523 0.000 0.336) 5.533 6.216 ( 1.543 0.000 -0.531) 1.632 6.216 ( 1.543 0.000 0.531) 1.632 6.479 ( -3.545 0.000 -1.148) 3.727 6.479 ( -3.545 0.000 1.148) 3.727 6.607 ( -1.478 0.000 -1.540) 2.135 6.607 ( -1.478 0.000 1.540) 2.135 6.899 ( -2.756 0.000 -1.717) 3.247 6.899 ( -2.756 0.000 1.717) 3.247 7.188 ( 1.045 0.000 -3.310) 3.471 7.188 ( 1.045 0.000 3.310) 3.471 7.299 ( 0.459 0.000 -1.201) 1.285 7.299 ( 0.459 0.000 1.201) 1.285 7.449 ( 2.464 0.000 -2.140) 3.263 7.449 ( 2.464 0.000 2.140) 3.263 7.577 ( -0.034 0.000 -2.704) 2.705 7.577 ( -0.034 0.000 2.704) 2.705 7.634 ( -0.195 0.000 -0.645) 0.674 7.634 ( -0.195 0.000 0.645) 0.674 7.764 ( 1.260 0.000 -0.378) 1.316 7.764 ( 1.260 0.000 0.378) 1.316 7.887 ( 1.720 0.000 -0.287) 1.743 7.887 ( 1.720 0.000 0.287) 1.743 8.090 ( -1.512 0.000 -1.465) 2.106 8.090 ( -1.512 0.000 1.465) 2.106 8.828 ( 2.021 0.000 -0.612) 2.112 8.828 ( 2.021 0.000 0.612) 2.112 8.941 ( -2.094 0.000 -0.420) 2.136 8.941 ( -2.094 0.000 0.420) 2.136 13.430 ( 0.792 0.000 -0.725) 1.074 13.430 ( 0.792 0.000 0.725) 1.074 13.523 ( -1.621 0.000 -2.943) 3.360 13.523 ( -1.621 0.000 2.943) 3.360 13.842 ( 2.825 0.000 -0.751) 2.923 13.842 ( 2.825 0.000 0.751) 2.923 13.983 ( 0.100 0.000 -3.636) 3.638 13.983 ( 0.100 0.000 3.636) 3.638 15.592 ( -1.808 0.000 -0.836) 1.992 15.592 ( -1.808 0.000 0.836) 1.992 15.697 ( -0.845 0.000 -0.811) 1.171 15.697 ( -0.845 0.000 0.811) 1.171 15.925 ( 0.586 0.000 -1.048) 1.200 15.925 ( 0.586 0.000 1.048) 1.200 16.153 ( -1.281 0.000 -4.153) 4.346 16.153 ( -1.281 0.000 4.153) 4.346 16.510 ( 1.109 0.000 -0.655) 1.288 16.510 ( 1.109 0.000 0.655) 1.288 16.598 ( -3.371 0.000 -0.903) 3.490 16.598 ( -3.371 0.000 0.903) 3.490 16.805 ( 5.376 0.000 -0.671) 5.418 16.805 ( 5.376 0.000 0.671) 5.418 17.012 ( -1.703 0.000 -1.440) 2.230 17.012 ( -1.703 0.000 1.440) 2.230 ======================= Grid point 183 (60/60) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( 0.000 0.000 -2.002) 2.002 1.440 ( 0.000 0.000 2.002) 2.002 1.496 ( 0.000 0.000 -3.117) 3.117 1.496 ( 0.000 0.000 3.117) 3.117 1.801 ( -0.000 0.000 -3.132) 3.132 1.801 ( 0.000 0.000 3.132) 3.132 1.819 ( -0.000 0.000 -3.088) 3.088 1.819 ( 0.000 0.000 3.088) 3.088 2.016 ( 0.000 0.000 -6.284) 6.284 2.016 ( 0.000 0.000 6.284) 6.284 2.095 ( -0.000 0.000 -4.710) 4.710 2.095 ( 0.000 0.000 4.710) 4.710 2.231 ( 0.000 0.000 -6.698) 6.698 2.231 ( 0.000 0.000 6.698) 6.698 2.305 ( 0.000 0.000 -2.036) 2.036 2.305 ( -0.000 0.000 2.036) 2.036 2.677 ( -0.000 0.000 -3.404) 3.404 2.677 ( 0.000 0.000 3.404) 3.404 2.728 ( 0.000 0.000 -0.157) 0.157 2.728 ( 0.000 0.000 0.157) 0.157 2.817 ( 0.000 0.000 -0.700) 0.700 2.817 ( 0.000 0.000 0.700) 0.700 2.928 ( 0.000 0.000 -1.255) 1.255 2.928 ( 0.000 0.000 1.255) 1.255 3.197 ( 0.000 0.000 -1.806) 1.806 3.197 ( 0.000 0.000 1.806) 1.806 3.295 ( 0.000 0.000 -6.071) 6.071 3.295 ( 0.000 0.000 6.071) 6.071 3.722 ( -0.000 0.000 -8.456) 8.456 3.722 ( -0.000 0.000 8.456) 8.456 3.782 ( 0.000 0.000 -5.190) 5.190 3.782 ( 0.000 0.000 5.190) 5.190 4.161 ( -0.000 0.000 -3.578) 3.578 4.161 ( -0.000 0.000 3.578) 3.578 4.175 ( 0.000 0.000 -6.854) 6.854 4.175 ( 0.000 0.000 6.854) 6.854 4.598 ( 0.000 0.000 -1.356) 1.356 4.598 ( -0.000 0.000 1.356) 1.356 4.656 ( -0.000 0.000 -0.110) 0.110 4.656 ( -0.000 0.000 0.110) 0.110 4.735 ( 0.000 0.000 -0.422) 0.422 4.735 ( -0.000 0.000 0.422) 0.422 4.800 ( -0.000 0.000 -0.200) 0.200 4.800 ( 0.000 0.000 0.200) 0.200 4.983 ( -0.000 0.000 -4.695) 4.695 4.983 ( 0.000 0.000 4.695) 4.695 5.069 ( 0.000 0.000 -4.400) 4.400 5.069 ( 0.000 0.000 4.400) 4.400 5.636 ( 0.000 0.000 -0.070) 0.070 5.636 ( -0.000 0.000 0.070) 0.070 5.775 ( 0.000 0.000 -4.161) 4.161 5.775 ( -0.000 0.000 4.161) 4.161 5.876 ( -0.000 0.000 -6.305) 6.305 5.876 ( 0.000 0.000 6.305) 6.305 5.912 ( -0.000 0.000 -5.409) 5.409 5.912 ( 0.000 0.000 5.409) 5.409 6.290 ( 0.000 0.000 -1.968) 1.968 6.290 ( 0.000 0.000 1.968) 1.968 6.394 ( 0.000 0.000 -4.112) 4.112 6.394 ( 0.000 0.000 4.112) 4.112 6.595 ( 0.000 0.000 -1.969) 1.969 6.595 ( 0.000 0.000 1.969) 1.969 6.868 ( 0.000 0.000 -1.260) 1.260 6.868 ( 0.000 0.000 1.260) 1.260 7.206 ( 0.000 0.000 -4.546) 4.546 7.206 ( 0.000 0.000 4.546) 4.546 7.290 ( 0.000 0.000 -1.530) 1.530 7.290 ( 0.000 0.000 1.530) 1.530 7.514 ( 0.000 0.000 -0.847) 0.847 7.514 ( 0.000 0.000 0.847) 0.847 7.539 ( -0.000 0.000 -4.065) 4.065 7.539 ( -0.000 0.000 4.065) 4.065 7.655 ( 0.000 0.000 -3.834) 3.834 7.655 ( 0.000 0.000 3.834) 3.834 7.751 ( -0.000 0.000 -0.716) 0.716 7.751 ( -0.000 0.000 0.716) 0.716 7.942 ( 0.000 0.000 -1.468) 1.468 7.942 ( 0.000 0.000 1.468) 1.468 8.056 ( 0.000 0.000 -1.441) 1.441 8.056 ( 0.000 0.000 1.441) 1.441 8.876 ( -0.000 0.000 -6.602) 6.602 8.876 ( -0.000 0.000 6.602) 6.602 8.892 ( 0.000 0.000 -6.278) 6.278 8.892 ( 0.000 0.000 6.278) 6.278 13.441 ( 0.000 0.000 -1.186) 1.186 13.441 ( 0.000 0.000 1.186) 1.186 13.503 ( 0.000 0.000 -3.286) 3.286 13.503 ( 0.000 0.000 3.286) 3.286 13.878 ( 0.000 0.000 -1.245) 1.245 13.878 ( -0.000 0.000 1.245) 1.245 13.984 ( 0.000 0.000 -6.760) 6.760 13.984 ( 0.000 0.000 6.760) 6.760 15.567 ( -0.000 0.000 -1.107) 1.107 15.567 ( 0.000 0.000 1.107) 1.107 15.685 ( 0.000 0.000 -1.080) 1.080 15.685 ( 0.000 0.000 1.080) 1.080 15.933 ( 0.000 0.000 -1.503) 1.503 15.933 ( 0.000 0.000 1.503) 1.503 16.136 ( 0.000 0.000 -5.711) 5.711 16.136 ( 0.000 0.000 5.711) 5.711 16.540 ( -0.000 0.000 -0.606) 0.606 16.540 ( -0.000 0.000 0.606) 0.606 16.545 ( 0.000 0.000 -1.229) 1.229 16.545 ( 0.000 0.000 1.229) 1.229 16.879 ( 0.000 0.000 -1.985) 1.985 16.879 ( 0.000 0.000 1.985) 1.985 16.978 ( -0.000 0.000 -3.240) 3.240 16.978 ( -0.000 0.000 3.240) 3.240 =================== 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 3/20736 10.0 156.362 165.875 175.070 0.000 0.000 0.000 3/20736 20.0 24.692 33.703 36.996 0.000 0.000 0.000 3/20736 30.0 8.913 13.029 14.525 0.000 0.000 0.000 3/20736 40.0 4.675 6.965 7.796 0.000 0.000 0.000 3/20736 50.0 2.982 4.473 5.010 0.000 0.000 0.000 3/20736 60.0 2.135 3.214 3.599 0.000 0.000 0.000 3/20736 70.0 1.646 2.483 2.780 0.000 0.000 0.000 3/20736 80.0 1.335 2.016 2.258 0.000 0.000 0.000 3/20736 90.0 1.123 1.696 1.901 0.000 0.000 0.000 3/20736 100.0 0.969 1.464 1.644 0.000 0.000 0.000 3/20736 110.0 0.854 1.290 1.450 0.000 0.000 0.000 3/20736 120.0 0.764 1.154 1.300 0.000 0.000 0.000 3/20736 130.0 0.692 1.045 1.180 0.000 0.000 0.000 3/20736 140.0 0.634 0.957 1.082 0.000 0.000 0.000 3/20736 150.0 0.585 0.883 1.000 0.000 0.000 0.000 3/20736 160.0 0.543 0.820 0.931 0.000 0.000 0.000 3/20736 170.0 0.508 0.766 0.872 0.000 0.000 0.000 3/20736 180.0 0.477 0.719 0.821 0.000 0.000 0.000 3/20736 190.0 0.450 0.679 0.776 0.000 0.000 0.000 3/20736 200.0 0.426 0.642 0.737 0.000 0.000 0.000 3/20736 210.0 0.405 0.610 0.701 0.000 0.000 0.000 3/20736 220.0 0.386 0.581 0.669 0.000 0.000 0.000 3/20736 230.0 0.369 0.555 0.640 0.000 0.000 0.000 3/20736 240.0 0.353 0.531 0.614 0.000 0.000 0.000 3/20736 250.0 0.339 0.509 0.590 0.000 0.000 0.000 3/20736 260.0 0.326 0.489 0.568 0.000 0.000 0.000 3/20736 270.0 0.313 0.471 0.547 0.000 0.000 0.000 3/20736 280.0 0.302 0.454 0.529 0.000 0.000 0.000 3/20736 290.0 0.292 0.438 0.511 0.000 0.000 0.000 3/20736 300.0 0.282 0.423 0.494 0.000 0.000 0.000 3/20736 310.0 0.273 0.410 0.479 0.000 0.000 0.000 3/20736 320.0 0.264 0.397 0.465 0.000 0.000 0.000 3/20736 330.0 0.257 0.385 0.451 0.000 0.000 0.000 3/20736 340.0 0.249 0.374 0.438 0.000 0.000 0.000 3/20736 350.0 0.242 0.363 0.426 0.000 0.000 0.000 3/20736 360.0 0.235 0.353 0.415 0.000 0.000 0.000 3/20736 370.0 0.229 0.343 0.404 0.000 0.000 0.000 3/20736 380.0 0.223 0.334 0.394 0.000 0.000 0.000 3/20736 390.0 0.217 0.326 0.384 0.000 0.000 0.000 3/20736 400.0 0.212 0.318 0.375 0.000 0.000 0.000 3/20736 410.0 0.207 0.310 0.366 0.000 0.000 0.000 3/20736 420.0 0.202 0.303 0.358 0.000 0.000 0.000 3/20736 430.0 0.197 0.296 0.350 0.000 0.000 0.000 3/20736 440.0 0.193 0.289 0.342 0.000 0.000 0.000 3/20736 450.0 0.189 0.283 0.335 0.000 0.000 0.000 3/20736 460.0 0.185 0.277 0.328 0.000 0.000 0.000 3/20736 470.0 0.181 0.271 0.321 0.000 0.000 0.000 3/20736 480.0 0.177 0.265 0.315 0.000 0.000 0.000 3/20736 490.0 0.174 0.260 0.308 0.000 0.000 0.000 3/20736 500.0 0.170 0.255 0.302 0.000 0.000 0.000 3/20736 510.0 0.167 0.250 0.297 0.000 0.000 0.000 3/20736 520.0 0.164 0.245 0.291 0.000 0.000 0.000 3/20736 530.0 0.161 0.240 0.286 0.000 0.000 0.000 3/20736 540.0 0.158 0.236 0.281 0.000 0.000 0.000 3/20736 550.0 0.155 0.232 0.276 0.000 0.000 0.000 3/20736 560.0 0.152 0.228 0.271 0.000 0.000 0.000 3/20736 570.0 0.149 0.224 0.266 0.000 0.000 0.000 3/20736 580.0 0.147 0.220 0.262 0.000 0.000 0.000 3/20736 590.0 0.144 0.216 0.257 0.000 0.000 0.000 3/20736 600.0 0.142 0.213 0.253 0.000 0.000 0.000 3/20736 610.0 0.140 0.209 0.249 0.000 0.000 0.000 3/20736 620.0 0.138 0.206 0.245 0.000 0.000 0.000 3/20736 630.0 0.135 0.202 0.241 0.000 0.000 0.000 3/20736 640.0 0.133 0.199 0.238 0.000 0.000 0.000 3/20736 650.0 0.131 0.196 0.234 0.000 0.000 0.000 3/20736 660.0 0.129 0.193 0.231 0.000 0.000 0.000 3/20736 670.0 0.127 0.190 0.227 0.000 0.000 0.000 3/20736 680.0 0.125 0.188 0.224 0.000 0.000 0.000 3/20736 690.0 0.124 0.185 0.221 0.000 0.000 0.000 3/20736 700.0 0.122 0.182 0.218 0.000 0.000 0.000 3/20736 710.0 0.120 0.180 0.215 0.000 0.000 0.000 3/20736 720.0 0.119 0.177 0.212 0.000 0.000 0.000 3/20736 730.0 0.117 0.175 0.209 0.000 0.000 0.000 3/20736 740.0 0.115 0.173 0.206 0.000 0.000 0.000 3/20736 750.0 0.114 0.170 0.204 0.000 0.000 0.000 3/20736 760.0 0.112 0.168 0.201 0.000 0.000 0.000 3/20736 770.0 0.111 0.166 0.198 0.000 0.000 0.000 3/20736 780.0 0.110 0.164 0.196 0.000 0.000 0.000 3/20736 790.0 0.108 0.162 0.193 0.000 0.000 0.000 3/20736 800.0 0.107 0.160 0.191 0.000 0.000 0.000 3/20736 810.0 0.106 0.158 0.189 0.000 0.000 0.000 3/20736 820.0 0.104 0.156 0.186 0.000 0.000 0.000 3/20736 830.0 0.103 0.154 0.184 0.000 0.000 0.000 3/20736 840.0 0.102 0.152 0.182 0.000 0.000 0.000 3/20736 850.0 0.101 0.150 0.180 0.000 0.000 0.000 3/20736 860.0 0.099 0.149 0.178 0.000 0.000 0.000 3/20736 870.0 0.098 0.147 0.176 0.000 0.000 0.000 3/20736 880.0 0.097 0.145 0.174 0.000 0.000 0.000 3/20736 890.0 0.096 0.144 0.172 0.000 0.000 0.000 3/20736 900.0 0.095 0.142 0.170 0.000 0.000 0.000 3/20736 910.0 0.094 0.140 0.168 0.000 0.000 0.000 3/20736 920.0 0.093 0.139 0.166 0.000 0.000 0.000 3/20736 930.0 0.092 0.137 0.165 0.000 0.000 0.000 3/20736 940.0 0.091 0.136 0.163 0.000 0.000 0.000 3/20736 950.0 0.090 0.135 0.161 0.000 0.000 0.000 3/20736 960.0 0.089 0.133 0.160 0.000 0.000 0.000 3/20736 970.0 0.088 0.132 0.158 0.000 0.000 0.000 3/20736 980.0 0.087 0.130 0.156 0.000 0.000 0.000 3/20736 990.0 0.086 0.129 0.155 0.000 0.000 0.000 3/20736 1000.0 0.086 0.128 0.153 0.000 0.000 0.000 3/20736 Thermal conductivity related properties were written into "kappa-m486.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 11:57:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|