# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/8719c2e1-a4b3-45fd-a1eb-3fcbb0008727/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for KBaPO4 / Pnma (62) / materials id 6812](https://mdr.nims.go.jp/datasets/c26d1ef4-6a6b-484c-876e-342a7968b037) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-07 22:05:03]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: Pnma (62)Number of symmetry operations in supercell: 32------------------------------ primitive cell ------------------------------Lattice vectors: a 7.715726430000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.660996979999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.998252640000000Atomic positions (fractional): *1 O 0.80259505730743 0.25000000000000 0.56443124549173 15.999 2 O 0.19740494269257 0.75000000000000 0.43556875450827 15.999 3 O 0.30259505730743 0.25000000000000 0.93556875450827 15.999 4 O 0.69740494269257 0.75000000000000 0.06443124549173 15.999 *5 O 0.53328857820577 0.25000000000000 0.41603193097663 15.999 6 O 0.46671142179423 0.75000000000000 0.58396806902337 15.999 7 O 0.03328857820577 0.25000000000000 0.08396806902337 15.999 8 O 0.96671142179423 0.75000000000000 0.91603193097663 15.999 *9 O 0.30167765366840 0.02478399642335 0.15488247290859 15.999 10 O 0.69832234633160 0.52478399642335 0.84511752709141 15.999 11 O 0.80167765366840 0.47521600357665 0.34511752709141 15.999 12 O 0.19832234633160 0.97521600357665 0.65488247290859 15.999 13 O 0.80167765366840 0.02478399642335 0.34511752709141 15.999 14 O 0.19832234633160 0.52478399642335 0.65488247290859 15.999 15 O 0.30167765366840 0.47521600357665 0.15488247290859 15.999 16 O 0.69832234633160 0.97521600357665 0.84511752709141 15.999 *17 P 0.23513880090213 0.25000000000000 0.08273181066040 30.974 18 P 0.76486119909787 0.75000000000000 0.91726818933959 30.974 19 P 0.26486119909787 0.75000000000000 0.58273181066041 30.974 20 P 0.73513880090213 0.25000000000000 0.41726818933959 30.974 *21 K 0.66043445311945 0.25000000000000 0.08479274382829 39.098 22 K 0.16043445311945 0.25000000000000 0.41520725617171 39.098 23 K 0.33956554688055 0.75000000000000 0.91520725617171 39.098 24 K 0.83956554688055 0.75000000000000 0.58479274382829 39.098 *25 Ba 0.49153899603501 0.25000000000000 0.69335876698209 137.327 26 Ba 0.50846100396499 0.75000000000000 0.30664123301791 137.327 27 Ba 0.99153899603501 0.25000000000000 0.80664123301791 137.327 28 Ba 0.00846100396499 0.75000000000000 0.19335876698209 137.327-------------------------------- unit cell ---------------------------------Lattice vectors: a 7.715726430000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.660996979999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.998252640000000Atomic positions (fractional): *1 O 0.80259505730743 0.25000000000000 0.56443124549173 15.999 > 1 2 O 0.19740494269257 0.75000000000000 0.43556875450827 15.999 > 2 3 O 0.30259505730743 0.25000000000000 0.93556875450827 15.999 > 3 4 O 0.69740494269257 0.75000000000000 0.06443124549173 15.999 > 4 *5 O 0.53328857820577 0.25000000000000 0.41603193097663 15.999 > 5 6 O 0.46671142179423 0.75000000000000 0.58396806902337 15.999 > 6 7 O 0.03328857820577 0.25000000000000 0.08396806902337 15.999 > 7 8 O 0.96671142179423 0.75000000000000 0.91603193097663 15.999 > 8 *9 O 0.30167765366840 0.02478399642335 0.15488247290859 15.999 > 9 10 O 0.69832234633160 0.52478399642335 0.84511752709141 15.999 > 10 11 O 0.80167765366840 0.47521600357665 0.34511752709141 15.999 > 11 12 O 0.19832234633160 0.97521600357665 0.65488247290859 15.999 > 12 13 O 0.80167765366840 0.02478399642335 0.34511752709141 15.999 > 13 14 O 0.19832234633160 0.52478399642335 0.65488247290859 15.999 > 14 15 O 0.30167765366840 0.47521600357665 0.15488247290859 15.999 > 15 16 O 0.69832234633160 0.97521600357665 0.84511752709141 15.999 > 16 *17 P 0.23513880090213 0.25000000000000 0.08273181066040 30.974 > 17 18 P 0.76486119909787 0.75000000000000 0.91726818933959 30.974 > 18 19 P 0.26486119909787 0.75000000000000 0.58273181066041 30.974 > 19 20 P 0.73513880090213 0.25000000000000 0.41726818933959 30.974 > 20 *21 K 0.66043445311945 0.25000000000000 0.08479274382829 39.098 > 21 22 K 0.16043445311945 0.25000000000000 0.41520725617171 39.098 > 22 23 K 0.33956554688055 0.75000000000000 0.91520725617171 39.098 > 23 24 K 0.83956554688055 0.75000000000000 0.58479274382829 39.098 > 24 *25 Ba 0.49153899603501 0.25000000000000 0.69335876698209 137.327 > 25 26 Ba 0.50846100396499 0.75000000000000 0.30664123301791 137.327 > 26 27 Ba 0.99153899603501 0.25000000000000 0.80664123301791 137.327 > 27 28 Ba 0.00846100396499 0.75000000000000 0.19335876698209 137.327 > 28-------------------------------- super cell --------------------------------Lattice vectors: a 15.431452860000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.321993959999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.998252640000000Atomic positions (fractional): *1 O 0.40129752865371 0.12500000000000 0.56443124549173 15.999 > 1 2 O 0.90129752865372 0.12500000000000 0.56443124549173 15.999 > 1 3 O 0.40129752865371 0.62500000000000 0.56443124549173 15.999 > 1 4 O 0.90129752865372 0.62500000000000 0.56443124549173 15.999 > 1 5 O 0.09870247134629 0.37500000000000 0.43556875450827 15.999 > 2 6 O 0.59870247134629 0.37500000000000 0.43556875450827 15.999 > 2 7 O 0.09870247134629 0.87500000000000 0.43556875450827 15.999 > 2 8 O 0.59870247134629 0.87500000000000 0.43556875450827 15.999 > 2 9 O 0.15129752865371 0.12500000000000 0.93556875450827 15.999 > 3 10 O 0.65129752865371 0.12500000000000 0.93556875450827 15.999 > 3 11 O 0.15129752865371 0.62500000000000 0.93556875450827 15.999 > 3 12 O 0.65129752865371 0.62500000000000 0.93556875450827 15.999 > 3 13 O 0.34870247134629 0.37500000000000 0.06443124549173 15.999 > 4 14 O 0.84870247134628 0.37500000000000 0.06443124549173 15.999 > 4 15 O 0.34870247134629 0.87500000000000 0.06443124549173 15.999 > 4 16 O 0.84870247134628 0.87500000000000 0.06443124549173 15.999 > 4 *17 O 0.26664428910289 0.12500000000000 0.41603193097663 15.999 > 5 18 O 0.76664428910289 0.12500000000000 0.41603193097663 15.999 > 5 19 O 0.26664428910289 0.62500000000000 0.41603193097663 15.999 > 5 20 O 0.76664428910289 0.62500000000000 0.41603193097663 15.999 > 5 21 O 0.23335571089711 0.37500000000000 0.58396806902337 15.999 > 6 22 O 0.73335571089711 0.37500000000000 0.58396806902337 15.999 > 6 23 O 0.23335571089711 0.87500000000000 0.58396806902337 15.999 > 6 24 O 0.73335571089711 0.87500000000000 0.58396806902337 15.999 > 6 25 O 0.01664428910289 0.12500000000000 0.08396806902337 15.999 > 7 26 O 0.51664428910289 0.12500000000000 0.08396806902337 15.999 > 7 27 O 0.01664428910289 0.62500000000000 0.08396806902337 15.999 > 7 28 O 0.51664428910289 0.62500000000000 0.08396806902337 15.999 > 7 29 O 0.48335571089711 0.37500000000000 0.91603193097663 15.999 > 8 30 O 0.98335571089711 0.37500000000000 0.91603193097663 15.999 > 8 31 O 0.48335571089711 0.87500000000000 0.91603193097663 15.999 > 8 32 O 0.98335571089711 0.87500000000000 0.91603193097663 15.999 > 8 *33 O 0.15083882683420 0.01239199821167 0.15488247290859 15.999 > 9 34 O 0.65083882683420 0.01239199821167 0.15488247290859 15.999 > 9 35 O 0.15083882683420 0.51239199821167 0.15488247290859 15.999 > 9 36 O 0.65083882683420 0.51239199821167 0.15488247290859 15.999 > 9 37 O 0.34916117316580 0.26239199821167 0.84511752709141 15.999 > 10 38 O 0.84916117316580 0.26239199821167 0.84511752709141 15.999 > 10 39 O 0.34916117316580 0.76239199821167 0.84511752709141 15.999 > 10 40 O 0.84916117316580 0.76239199821167 0.84511752709141 15.999 > 10 41 O 0.40083882683420 0.23760800178833 0.34511752709141 15.999 > 11 42 O 0.90083882683420 0.23760800178833 0.34511752709141 15.999 > 11 43 O 0.40083882683420 0.73760800178833 0.34511752709141 15.999 > 11 44 O 0.90083882683420 0.73760800178833 0.34511752709141 15.999 > 11 45 O 0.09916117316580 0.48760800178833 0.65488247290859 15.999 > 12 46 O 0.59916117316580 0.48760800178833 0.65488247290859 15.999 > 12 47 O 0.09916117316580 0.98760800178833 0.65488247290859 15.999 > 12 48 O 0.59916117316580 0.98760800178833 0.65488247290859 15.999 > 12 49 O 0.40083882683420 0.01239199821167 0.34511752709141 15.999 > 13 50 O 0.90083882683420 0.01239199821167 0.34511752709141 15.999 > 13 51 O 0.40083882683420 0.51239199821167 0.34511752709141 15.999 > 13 52 O 0.90083882683420 0.51239199821167 0.34511752709141 15.999 > 13 53 O 0.09916117316580 0.26239199821167 0.65488247290859 15.999 > 14 54 O 0.59916117316580 0.26239199821167 0.65488247290859 15.999 > 14 55 O 0.09916117316580 0.76239199821167 0.65488247290859 15.999 > 14 56 O 0.59916117316580 0.76239199821167 0.65488247290859 15.999 > 14 57 O 0.15083882683420 0.23760800178833 0.15488247290859 15.999 > 15 58 O 0.65083882683420 0.23760800178833 0.15488247290859 15.999 > 15 59 O 0.15083882683420 0.73760800178833 0.15488247290859 15.999 > 15 60 O 0.65083882683420 0.73760800178833 0.15488247290859 15.999 > 15 61 O 0.34916117316580 0.48760800178833 0.84511752709141 15.999 > 16 62 O 0.84916117316580 0.48760800178833 0.84511752709141 15.999 > 16 63 O 0.34916117316580 0.98760800178833 0.84511752709141 15.999 > 16 64 O 0.84916117316580 0.98760800178833 0.84511752709141 15.999 > 16 *65 P 0.11756940045106 0.12500000000000 0.08273181066040 30.974 > 17 66 P 0.61756940045107 0.12500000000000 0.08273181066040 30.974 > 17 67 P 0.11756940045106 0.62500000000000 0.08273181066040 30.974 > 17 68 P 0.61756940045107 0.62500000000000 0.08273181066040 30.974 > 17 69 P 0.38243059954893 0.37500000000000 0.91726818933959 30.974 > 18 70 P 0.88243059954893 0.37500000000000 0.91726818933959 30.974 > 18 71 P 0.38243059954893 0.87500000000000 0.91726818933959 30.974 > 18 72 P 0.88243059954893 0.87500000000000 0.91726818933959 30.974 > 18 73 P 0.13243059954893 0.37500000000000 0.58273181066041 30.974 > 19 74 P 0.63243059954893 0.37500000000000 0.58273181066041 30.974 > 19 75 P 0.13243059954893 0.87500000000000 0.58273181066041 30.974 > 19 76 P 0.63243059954893 0.87500000000000 0.58273181066041 30.974 > 19 77 P 0.36756940045107 0.12500000000000 0.41726818933959 30.974 > 20 78 P 0.86756940045107 0.12500000000000 0.41726818933959 30.974 > 20 79 P 0.36756940045107 0.62500000000000 0.41726818933959 30.974 > 20 80 P 0.86756940045107 0.62500000000000 0.41726818933959 30.974 > 20 *81 K 0.33021722655973 0.12500000000000 0.08479274382829 39.098 > 21 82 K 0.83021722655973 0.12500000000000 0.08479274382829 39.098 > 21 83 K 0.33021722655973 0.62500000000000 0.08479274382829 39.098 > 21 84 K 0.83021722655973 0.62500000000000 0.08479274382829 39.098 > 21 85 K 0.08021722655973 0.12500000000000 0.41520725617171 39.098 > 22 86 K 0.58021722655973 0.12500000000000 0.41520725617171 39.098 > 22 87 K 0.08021722655973 0.62500000000000 0.41520725617171 39.098 > 22 88 K 0.58021722655973 0.62500000000000 0.41520725617171 39.098 > 22 89 K 0.16978277344027 0.37500000000000 0.91520725617171 39.098 > 23 90 K 0.66978277344027 0.37500000000000 0.91520725617171 39.098 > 23 91 K 0.16978277344027 0.87500000000000 0.91520725617171 39.098 > 23 92 K 0.66978277344027 0.87500000000000 0.91520725617171 39.098 > 23 93 K 0.41978277344027 0.37500000000000 0.58479274382829 39.098 > 24 94 K 0.91978277344027 0.37500000000000 0.58479274382829 39.098 > 24 95 K 0.41978277344027 0.87500000000000 0.58479274382829 39.098 > 24 96 K 0.91978277344027 0.87500000000000 0.58479274382829 39.098 > 24 *97 Ba 0.24576949801750 0.12500000000000 0.69335876698209 137.327 > 25 98 Ba 0.74576949801750 0.12500000000000 0.69335876698209 137.327 > 25 99 Ba 0.24576949801750 0.62500000000000 0.69335876698209 137.327 > 25 100 Ba 0.74576949801750 0.62500000000000 0.69335876698209 137.327 > 25 101 Ba 0.25423050198250 0.37500000000000 0.30664123301791 137.327 > 26 102 Ba 0.75423050198250 0.37500000000000 0.30664123301791 137.327 > 26 103 Ba 0.25423050198250 0.87500000000000 0.30664123301791 137.327 > 26 104 Ba 0.75423050198250 0.87500000000000 0.30664123301791 137.327 > 26 105 Ba 0.49576949801750 0.12500000000000 0.80664123301791 137.327 > 27 106 Ba 0.99576949801750 0.12500000000000 0.80664123301791 137.327 > 27 107 Ba 0.49576949801750 0.62500000000000 0.80664123301791 137.327 > 27 108 Ba 0.99576949801750 0.62500000000000 0.80664123301791 137.327 > 27 109 Ba 0.00423050198250 0.37500000000000 0.19335876698209 137.327 > 28 110 Ba 0.50423050198250 0.37500000000000 0.19335876698209 137.327 > 28 111 Ba 0.00423050198250 0.87500000000000 0.19335876698209 137.327 > 28 112 Ba 0.50423050198250 0.87500000000000 0.19335876698209 137.327 > 28----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 2.9040188 0.0000000 0.0000000 0.0000000 2.9399512 0.0000000 0.0000000 0.0000000 2.9297284-------------------------- Born effective charges -------------------------- 1 O -1.5734207 0.0000000 -0.3169006 0.0000000 -1.2574629 0.0000000 -0.3184922 0.0000000 -2.5206956 2 O -1.5734207 0.0000000 -0.3169006 0.0000000 -1.2574629 0.0000000 -0.3184922 0.0000000 -2.5206956 3 O -1.5734207 0.0000000 0.3169006 0.0000000 -1.2574629 0.0000000 0.3184922 0.0000000 -2.5206956 4 O -1.5734207 0.0000000 0.3169006 0.0000000 -1.2574629 0.0000000 0.3184922 0.0000000 -2.5206956 5 O -2.1578569 0.0000000 0.0565902 0.0000000 -1.5062730 0.0000000 0.1199136 0.0000000 -1.5006137 6 O -2.1578569 0.0000000 0.0565902 0.0000000 -1.5062730 0.0000000 0.1199136 0.0000000 -1.5006137 7 O -2.1578569 0.0000000 -0.0565902 0.0000000 -1.5062730 0.0000000 -0.1199136 0.0000000 -1.5006137 8 O -2.1578569 0.0000000 -0.0565902 0.0000000 -1.5062730 0.0000000 -0.1199136 0.0000000 -1.5006137 9 O -1.5725366 0.2623606 -0.2581470 0.3180607 -2.2478618 0.6123310 -0.2787599 0.6091529 -1.5853608 10 O -1.5725366 -0.2623606 -0.2581470 -0.3180607 -2.2478618 -0.6123310 -0.2787599 -0.6091529 -1.5853608 11 O -1.5725366 -0.2623606 0.2581470 -0.3180607 -2.2478618 0.6123310 0.2787599 0.6091529 -1.5853608 12 O -1.5725366 0.2623606 0.2581470 0.3180607 -2.2478618 -0.6123310 0.2787599 -0.6091529 -1.5853608 13 O -1.5725366 0.2623606 0.2581470 0.3180607 -2.2478618 -0.6123310 0.2787599 -0.6091529 -1.5853608 14 O -1.5725366 -0.2623606 0.2581470 -0.3180607 -2.2478618 0.6123310 0.2787599 0.6091529 -1.5853608 15 O -1.5725366 -0.2623606 -0.2581470 -0.3180607 -2.2478618 -0.6123310 -0.2787599 -0.6091529 -1.5853608 16 O -1.5725366 0.2623606 -0.2581470 0.3180607 -2.2478618 0.6123310 -0.2787599 0.6091529 -1.5853608 17 P 2.8432108 0.0000000 0.0225690 0.0000000 3.3812218 0.0000000 0.1130925 0.0000000 3.2344645 18 P 2.8432108 0.0000000 0.0225690 0.0000000 3.3812218 0.0000000 0.1130925 0.0000000 3.2344645 19 P 2.8432108 0.0000000 -0.0225690 0.0000000 3.3812218 0.0000000 -0.1130925 0.0000000 3.2344645 20 P 2.8432108 0.0000000 -0.0225690 0.0000000 3.3812218 0.0000000 -0.1130925 0.0000000 3.2344645 21 K 1.2601456 0.0000000 -0.0342123 0.0000000 1.2272037 0.0000000 0.0045001 0.0000000 1.2094779 22 K 1.2601456 0.0000000 0.0342123 0.0000000 1.2272037 0.0000000 -0.0045001 0.0000000 1.2094779 23 K 1.2601456 0.0000000 -0.0342123 0.0000000 1.2272037 0.0000000 0.0045001 0.0000000 1.2094779 24 K 1.2601456 0.0000000 0.0342123 0.0000000 1.2272037 0.0000000 -0.0045001 0.0000000 1.2094779 25 Ba 2.7729944 0.0000000 0.0231794 0.0000000 2.6510340 0.0000000 0.0489537 0.0000000 2.7480884 26 Ba 2.7729944 0.0000000 0.0231794 0.0000000 2.6510340 0.0000000 0.0489537 0.0000000 2.7480884 27 Ba 2.7729944 0.0000000 -0.0231794 0.0000000 2.6510340 0.0000000 -0.0489537 0.0000000 2.7480884 28 Ba 2.7729944 0.0000000 -0.0231794 0.0000000 2.6510340 0.0000000 -0.0489537 0.0000000 2.7480884----------------------------------------------------------------------------Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".-------------------------------- Symfc start -------------------------------Symfc version 1.5.4 (https://github.com/symfc/symfc)Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024)Computing [2] order force constants.Permutation basis: 336/336Permutation basis: 14448/14448Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 1898Number of blocks in projector: 1898Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 492Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 292Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 292Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 274Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 274Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 274Use standard eigh solver.Tree of FC basis block matrices:- (1898, 1864), data: False|-- (274, 268), data: True|-- (274, 268), data: True|-- (274, 268), data: True|-- (292, 290), data: True|-- (292, 290), data: True|-- (492, 480), data: True-----Solver_atoms: 1 -- 112 / 112Time (Solver_compr_matrix_reshape): 0.003Solver_block: 100 / 480 - Time: 3.018Solver_block: 200 / 480 - Time: 3.036Solver_block: 300 / 480 - Time: 3.025Solver_block: 400 / 480 - Time: 3.029Solver_block: 480 / 480 - Time: 2.448Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.613--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 336/336Permutation basis: 14448/14448Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 1898Number of blocks in projector: 1898Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 492Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 292Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 292Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 274Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 274Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 274Use standard eigh solver.Tree of FC basis block matrices:- (1898, 1864), data: False|-- (274, 268), data: True|-- (274, 268), data: True|-- (274, 268), data: True|-- (292, 290), data: True|-- (292, 290), data: True|-- (492, 480), data: TrueMax drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-07 22:05:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 22:05:39]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [2 2 1]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: Pnma (62)------------------------------ primitive cell ------------------------------Lattice vectors: a 7.715726430000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.660996979999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.998252640000000Atomic positions (fractional): 1 O 0.80259505730743 0.25000000000000 0.56443124549173 15.999 2 O 0.19740494269257 0.75000000000000 0.43556875450827 15.999 3 O 0.30259505730743 0.25000000000000 0.93556875450827 15.999 4 O 0.69740494269257 0.75000000000000 0.06443124549173 15.999 5 O 0.53328857820577 0.25000000000000 0.41603193097663 15.999 6 O 0.46671142179423 0.75000000000000 0.58396806902337 15.999 7 O 0.03328857820577 0.25000000000000 0.08396806902337 15.999 8 O 0.96671142179423 0.75000000000000 0.91603193097663 15.999 9 O 0.30167765366840 0.02478399642335 0.15488247290859 15.999 10 O 0.69832234633160 0.52478399642335 0.84511752709141 15.999 11 O 0.80167765366840 0.47521600357665 0.34511752709141 15.999 12 O 0.19832234633160 0.97521600357665 0.65488247290859 15.999 13 O 0.80167765366840 0.02478399642335 0.34511752709141 15.999 14 O 0.19832234633160 0.52478399642335 0.65488247290859 15.999 15 O 0.30167765366840 0.47521600357665 0.15488247290859 15.999 16 O 0.69832234633160 0.97521600357665 0.84511752709141 15.999 17 P 0.23513880090213 0.25000000000000 0.08273181066040 30.974 18 P 0.76486119909787 0.75000000000000 0.91726818933959 30.974 19 P 0.26486119909787 0.75000000000000 0.58273181066041 30.974 20 P 0.73513880090213 0.25000000000000 0.41726818933959 30.974 21 K 0.66043445311945 0.25000000000000 0.08479274382829 39.098 22 K 0.16043445311945 0.25000000000000 0.41520725617171 39.098 23 K 0.33956554688055 0.75000000000000 0.91520725617171 39.098 24 K 0.83956554688055 0.75000000000000 0.58479274382829 39.098 25 Ba 0.49153899603501 0.25000000000000 0.69335876698209 137.327 26 Ba 0.50846100396499 0.75000000000000 0.30664123301791 137.327 27 Ba 0.99153899603501 0.25000000000000 0.80664123301791 137.327 28 Ba 0.00846100396499 0.75000000000000 0.19335876698209 137.327-------------------------------- supercell ---------------------------------Lattice vectors: a 15.431452860000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.321993959999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.998252640000000Atomic positions (fractional): 1 O 0.40129752865371 0.12500000000000 0.56443124549173 15.999 > 1 2 O 0.90129752865372 0.12500000000000 0.56443124549173 15.999 > 1 3 O 0.40129752865371 0.62500000000000 0.56443124549173 15.999 > 1 4 O 0.90129752865372 0.62500000000000 0.56443124549173 15.999 > 1 5 O 0.09870247134629 0.37500000000000 0.43556875450827 15.999 > 5 6 O 0.59870247134629 0.37500000000000 0.43556875450827 15.999 > 5 7 O 0.09870247134629 0.87500000000000 0.43556875450827 15.999 > 5 8 O 0.59870247134629 0.87500000000000 0.43556875450827 15.999 > 5 9 O 0.15129752865371 0.12500000000000 0.93556875450827 15.999 > 9 10 O 0.65129752865371 0.12500000000000 0.93556875450827 15.999 > 9 11 O 0.15129752865371 0.62500000000000 0.93556875450827 15.999 > 9 12 O 0.65129752865371 0.62500000000000 0.93556875450827 15.999 > 9 13 O 0.34870247134629 0.37500000000000 0.06443124549173 15.999 > 13 14 O 0.84870247134628 0.37500000000000 0.06443124549173 15.999 > 13 15 O 0.34870247134629 0.87500000000000 0.06443124549173 15.999 > 13 16 O 0.84870247134628 0.87500000000000 0.06443124549173 15.999 > 13 17 O 0.26664428910289 0.12500000000000 0.41603193097663 15.999 > 17 18 O 0.76664428910289 0.12500000000000 0.41603193097663 15.999 > 17 19 O 0.26664428910289 0.62500000000000 0.41603193097663 15.999 > 17 20 O 0.76664428910289 0.62500000000000 0.41603193097663 15.999 > 17 21 O 0.23335571089711 0.37500000000000 0.58396806902337 15.999 > 21 22 O 0.73335571089711 0.37500000000000 0.58396806902337 15.999 > 21 23 O 0.23335571089711 0.87500000000000 0.58396806902337 15.999 > 21 24 O 0.73335571089711 0.87500000000000 0.58396806902337 15.999 > 21 25 O 0.01664428910289 0.12500000000000 0.08396806902337 15.999 > 25 26 O 0.51664428910289 0.12500000000000 0.08396806902337 15.999 > 25 27 O 0.01664428910289 0.62500000000000 0.08396806902337 15.999 > 25 28 O 0.51664428910289 0.62500000000000 0.08396806902337 15.999 > 25 29 O 0.48335571089711 0.37500000000000 0.91603193097663 15.999 > 29 30 O 0.98335571089711 0.37500000000000 0.91603193097663 15.999 > 29 31 O 0.48335571089711 0.87500000000000 0.91603193097663 15.999 > 29 32 O 0.98335571089711 0.87500000000000 0.91603193097663 15.999 > 29 33 O 0.15083882683420 0.01239199821167 0.15488247290859 15.999 > 33 34 O 0.65083882683420 0.01239199821167 0.15488247290859 15.999 > 33 35 O 0.15083882683420 0.51239199821167 0.15488247290859 15.999 > 33 36 O 0.65083882683420 0.51239199821167 0.15488247290859 15.999 > 33 37 O 0.34916117316580 0.26239199821167 0.84511752709141 15.999 > 37 38 O 0.84916117316580 0.26239199821167 0.84511752709141 15.999 > 37 39 O 0.34916117316580 0.76239199821167 0.84511752709141 15.999 > 37 40 O 0.84916117316580 0.76239199821167 0.84511752709141 15.999 > 37 41 O 0.40083882683420 0.23760800178833 0.34511752709141 15.999 > 41 42 O 0.90083882683420 0.23760800178833 0.34511752709141 15.999 > 41 43 O 0.40083882683420 0.73760800178833 0.34511752709141 15.999 > 41 44 O 0.90083882683420 0.73760800178833 0.34511752709141 15.999 > 41 45 O 0.09916117316580 0.48760800178833 0.65488247290859 15.999 > 45 46 O 0.59916117316580 0.48760800178833 0.65488247290859 15.999 > 45 47 O 0.09916117316580 0.98760800178833 0.65488247290859 15.999 > 45 48 O 0.59916117316580 0.98760800178833 0.65488247290859 15.999 > 45 49 O 0.40083882683420 0.01239199821167 0.34511752709141 15.999 > 49 50 O 0.90083882683420 0.01239199821167 0.34511752709141 15.999 > 49 51 O 0.40083882683420 0.51239199821167 0.34511752709141 15.999 > 49 52 O 0.90083882683420 0.51239199821167 0.34511752709141 15.999 > 49 53 O 0.09916117316580 0.26239199821167 0.65488247290859 15.999 > 53 54 O 0.59916117316580 0.26239199821167 0.65488247290859 15.999 > 53 55 O 0.09916117316580 0.76239199821167 0.65488247290859 15.999 > 53 56 O 0.59916117316580 0.76239199821167 0.65488247290859 15.999 > 53 57 O 0.15083882683420 0.23760800178833 0.15488247290859 15.999 > 57 58 O 0.65083882683420 0.23760800178833 0.15488247290859 15.999 > 57 59 O 0.15083882683420 0.73760800178833 0.15488247290859 15.999 > 57 60 O 0.65083882683420 0.73760800178833 0.15488247290859 15.999 > 57 61 O 0.34916117316580 0.48760800178833 0.84511752709141 15.999 > 61 62 O 0.84916117316580 0.48760800178833 0.84511752709141 15.999 > 61 63 O 0.34916117316580 0.98760800178833 0.84511752709141 15.999 > 61 64 O 0.84916117316580 0.98760800178833 0.84511752709141 15.999 > 61 65 P 0.11756940045106 0.12500000000000 0.08273181066040 30.974 > 65 66 P 0.61756940045107 0.12500000000000 0.08273181066040 30.974 > 65 67 P 0.11756940045106 0.62500000000000 0.08273181066040 30.974 > 65 68 P 0.61756940045107 0.62500000000000 0.08273181066040 30.974 > 65 69 P 0.38243059954893 0.37500000000000 0.91726818933959 30.974 > 69 70 P 0.88243059954893 0.37500000000000 0.91726818933959 30.974 > 69 71 P 0.38243059954893 0.87500000000000 0.91726818933959 30.974 > 69 72 P 0.88243059954893 0.87500000000000 0.91726818933959 30.974 > 69 73 P 0.13243059954893 0.37500000000000 0.58273181066041 30.974 > 73 74 P 0.63243059954893 0.37500000000000 0.58273181066041 30.974 > 73 75 P 0.13243059954893 0.87500000000000 0.58273181066041 30.974 > 73 76 P 0.63243059954893 0.87500000000000 0.58273181066041 30.974 > 73 77 P 0.36756940045107 0.12500000000000 0.41726818933959 30.974 > 77 78 P 0.86756940045107 0.12500000000000 0.41726818933959 30.974 > 77 79 P 0.36756940045107 0.62500000000000 0.41726818933959 30.974 > 77 80 P 0.86756940045107 0.62500000000000 0.41726818933959 30.974 > 77 81 K 0.33021722655973 0.12500000000000 0.08479274382829 39.098 > 81 82 K 0.83021722655973 0.12500000000000 0.08479274382829 39.098 > 81 83 K 0.33021722655973 0.62500000000000 0.08479274382829 39.098 > 81 84 K 0.83021722655973 0.62500000000000 0.08479274382829 39.098 > 81 85 K 0.08021722655973 0.12500000000000 0.41520725617171 39.098 > 85 86 K 0.58021722655973 0.12500000000000 0.41520725617171 39.098 > 85 87 K 0.08021722655973 0.62500000000000 0.41520725617171 39.098 > 85 88 K 0.58021722655973 0.62500000000000 0.41520725617171 39.098 > 85 89 K 0.16978277344027 0.37500000000000 0.91520725617171 39.098 > 89 90 K 0.66978277344027 0.37500000000000 0.91520725617171 39.098 > 89 91 K 0.16978277344027 0.87500000000000 0.91520725617171 39.098 > 89 92 K 0.66978277344027 0.87500000000000 0.91520725617171 39.098 > 89 93 K 0.41978277344027 0.37500000000000 0.58479274382829 39.098 > 93 94 K 0.91978277344027 0.37500000000000 0.58479274382829 39.098 > 93 95 K 0.41978277344027 0.87500000000000 0.58479274382829 39.098 > 93 96 K 0.91978277344027 0.87500000000000 0.58479274382829 39.098 > 93 97 Ba 0.24576949801750 0.12500000000000 0.69335876698209 137.327 > 97 98 Ba 0.74576949801750 0.12500000000000 0.69335876698209 137.327 > 97 99 Ba 0.24576949801750 0.62500000000000 0.69335876698209 137.327 > 97 100 Ba 0.74576949801750 0.62500000000000 0.69335876698209 137.327 > 97 101 Ba 0.25423050198250 0.37500000000000 0.30664123301791 137.327 > 101 102 Ba 0.75423050198250 0.37500000000000 0.30664123301791 137.327 > 101 103 Ba 0.25423050198250 0.87500000000000 0.30664123301791 137.327 > 101 104 Ba 0.75423050198250 0.87500000000000 0.30664123301791 137.327 > 101 105 Ba 0.49576949801750 0.12500000000000 0.80664123301791 137.327 > 105 106 Ba 0.99576949801750 0.12500000000000 0.80664123301791 137.327 > 105 107 Ba 0.49576949801750 0.62500000000000 0.80664123301791 137.327 > 105 108 Ba 0.99576949801750 0.62500000000000 0.80664123301791 137.327 > 105 109 Ba 0.00423050198250 0.37500000000000 0.19335876698209 137.327 > 109 110 Ba 0.50423050198250 0.37500000000000 0.19335876698209 137.327 > 109 111 Ba 0.00423050198250 0.87500000000000 0.19335876698209 137.327 > 109 112 Ba 0.50423050198250 0.87500000000000 0.19335876698209 137.327 > 109----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 2.9040188 0.0000000 0.0000000 0.0000000 2.9399512 0.0000000 0.0000000 0.0000000 2.9297284-------------------------- Born effective charges -------------------------- 1 O -1.5734207 0.0000000 -0.3169006 0.0000000 -1.2574629 0.0000000 -0.3184922 0.0000000 -2.5206956 2 O -1.5734207 0.0000000 -0.3169006 0.0000000 -1.2574629 0.0000000 -0.3184922 0.0000000 -2.5206956 3 O -1.5734207 0.0000000 0.3169006 0.0000000 -1.2574629 0.0000000 0.3184922 0.0000000 -2.5206956 4 O -1.5734207 0.0000000 0.3169006 0.0000000 -1.2574629 0.0000000 0.3184922 0.0000000 -2.5206956 5 O -2.1578569 0.0000000 0.0565902 0.0000000 -1.5062730 0.0000000 0.1199136 0.0000000 -1.5006137 6 O -2.1578569 0.0000000 0.0565902 0.0000000 -1.5062730 0.0000000 0.1199136 0.0000000 -1.5006137 7 O -2.1578569 0.0000000 -0.0565902 0.0000000 -1.5062730 0.0000000 -0.1199136 0.0000000 -1.5006137 8 O -2.1578569 0.0000000 -0.0565902 0.0000000 -1.5062730 0.0000000 -0.1199136 0.0000000 -1.5006137 9 O -1.5725366 0.2623606 -0.2581470 0.3180607 -2.2478618 0.6123310 -0.2787599 0.6091529 -1.5853608 10 O -1.5725366 -0.2623606 -0.2581470 -0.3180607 -2.2478618 -0.6123310 -0.2787599 -0.6091529 -1.5853608 11 O -1.5725366 -0.2623606 0.2581470 -0.3180607 -2.2478618 0.6123310 0.2787599 0.6091529 -1.5853608 12 O -1.5725366 0.2623606 0.2581470 0.3180607 -2.2478618 -0.6123310 0.2787599 -0.6091529 -1.5853608 13 O -1.5725366 0.2623606 0.2581470 0.3180607 -2.2478618 -0.6123310 0.2787599 -0.6091529 -1.5853608 14 O -1.5725366 -0.2623606 0.2581470 -0.3180607 -2.2478618 0.6123310 0.2787599 0.6091529 -1.5853608 15 O -1.5725366 -0.2623606 -0.2581470 -0.3180607 -2.2478618 -0.6123310 -0.2787599 -0.6091529 -1.5853608 16 O -1.5725366 0.2623606 -0.2581470 0.3180607 -2.2478618 0.6123310 -0.2787599 0.6091529 -1.5853608 17 P 2.8432108 0.0000000 0.0225690 0.0000000 3.3812218 0.0000000 0.1130925 0.0000000 3.2344645 18 P 2.8432108 0.0000000 0.0225690 0.0000000 3.3812218 0.0000000 0.1130925 0.0000000 3.2344645 19 P 2.8432108 0.0000000 -0.0225690 0.0000000 3.3812218 0.0000000 -0.1130925 0.0000000 3.2344645 20 P 2.8432108 0.0000000 -0.0225690 0.0000000 3.3812218 0.0000000 -0.1130925 0.0000000 3.2344645 21 K 1.2601456 0.0000000 -0.0342123 0.0000000 1.2272037 0.0000000 0.0045001 0.0000000 1.2094779 22 K 1.2601456 0.0000000 0.0342123 0.0000000 1.2272037 0.0000000 -0.0045001 0.0000000 1.2094779 23 K 1.2601456 0.0000000 -0.0342123 0.0000000 1.2272037 0.0000000 0.0045001 0.0000000 1.2094779 24 K 1.2601456 0.0000000 0.0342123 0.0000000 1.2272037 0.0000000 -0.0045001 0.0000000 1.2094779 25 Ba 2.7729944 0.0000000 0.0231794 0.0000000 2.6510340 0.0000000 0.0489537 0.0000000 2.7480884 26 Ba 2.7729944 0.0000000 0.0231794 0.0000000 2.6510340 0.0000000 0.0489537 0.0000000 2.7480884 27 Ba 2.7729944 0.0000000 -0.0231794 0.0000000 2.6510340 0.0000000 -0.0489537 0.0000000 2.7480884 28 Ba 2.7729944 0.0000000 -0.0231794 0.0000000 2.6510340 0.0000000 -0.0489537 0.0000000 2.7480884----------------------------------------------------------------------------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[ 65, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 81, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 97, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: 0.00000004 (yxy) 0.00000004 (yxy) 0.00000004 (yyx)fc3 was written into "fc3.hdf5".Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 22:06:02]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 22:06:03]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [2 2 1]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: Pnma (62)------------------------------ primitive cell ------------------------------Lattice vectors: a 7.715726430000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.660996979999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.998252640000000Atomic positions (fractional): 1 O 0.80259505730743 0.25000000000000 0.56443124549173 15.999 2 O 0.19740494269257 0.75000000000000 0.43556875450827 15.999 3 O 0.30259505730743 0.25000000000000 0.93556875450827 15.999 4 O 0.69740494269257 0.75000000000000 0.06443124549173 15.999 5 O 0.53328857820577 0.25000000000000 0.41603193097663 15.999 6 O 0.46671142179423 0.75000000000000 0.58396806902337 15.999 7 O 0.03328857820577 0.25000000000000 0.08396806902337 15.999 8 O 0.96671142179423 0.75000000000000 0.91603193097663 15.999 9 O 0.30167765366840 0.02478399642335 0.15488247290859 15.999 10 O 0.69832234633160 0.52478399642335 0.84511752709141 15.999 11 O 0.80167765366840 0.47521600357665 0.34511752709141 15.999 12 O 0.19832234633160 0.97521600357665 0.65488247290859 15.999 13 O 0.80167765366840 0.02478399642335 0.34511752709141 15.999 14 O 0.19832234633160 0.52478399642335 0.65488247290859 15.999 15 O 0.30167765366840 0.47521600357665 0.15488247290859 15.999 16 O 0.69832234633160 0.97521600357665 0.84511752709141 15.999 17 P 0.23513880090213 0.25000000000000 0.08273181066040 30.974 18 P 0.76486119909787 0.75000000000000 0.91726818933959 30.974 19 P 0.26486119909787 0.75000000000000 0.58273181066041 30.974 20 P 0.73513880090213 0.25000000000000 0.41726818933959 30.974 21 K 0.66043445311945 0.25000000000000 0.08479274382829 39.098 22 K 0.16043445311945 0.25000000000000 0.41520725617171 39.098 23 K 0.33956554688055 0.75000000000000 0.91520725617171 39.098 24 K 0.83956554688055 0.75000000000000 0.58479274382829 39.098 25 Ba 0.49153899603501 0.25000000000000 0.69335876698209 137.327 26 Ba 0.50846100396499 0.75000000000000 0.30664123301791 137.327 27 Ba 0.99153899603501 0.25000000000000 0.80664123301791 137.327 28 Ba 0.00846100396499 0.75000000000000 0.19335876698209 137.327-------------------------------- supercell ---------------------------------Lattice vectors: a 15.431452860000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.321993959999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.998252640000000Atomic positions (fractional): 1 O 0.40129752865371 0.12500000000000 0.56443124549173 15.999 > 1 2 O 0.90129752865372 0.12500000000000 0.56443124549173 15.999 > 1 3 O 0.40129752865371 0.62500000000000 0.56443124549173 15.999 > 1 4 O 0.90129752865372 0.62500000000000 0.56443124549173 15.999 > 1 5 O 0.09870247134629 0.37500000000000 0.43556875450827 15.999 > 5 6 O 0.59870247134629 0.37500000000000 0.43556875450827 15.999 > 5 7 O 0.09870247134629 0.87500000000000 0.43556875450827 15.999 > 5 8 O 0.59870247134629 0.87500000000000 0.43556875450827 15.999 > 5 9 O 0.15129752865371 0.12500000000000 0.93556875450827 15.999 > 9 10 O 0.65129752865371 0.12500000000000 0.93556875450827 15.999 > 9 11 O 0.15129752865371 0.62500000000000 0.93556875450827 15.999 > 9 12 O 0.65129752865371 0.62500000000000 0.93556875450827 15.999 > 9 13 O 0.34870247134629 0.37500000000000 0.06443124549173 15.999 > 13 14 O 0.84870247134628 0.37500000000000 0.06443124549173 15.999 > 13 15 O 0.34870247134629 0.87500000000000 0.06443124549173 15.999 > 13 16 O 0.84870247134628 0.87500000000000 0.06443124549173 15.999 > 13 17 O 0.26664428910289 0.12500000000000 0.41603193097663 15.999 > 17 18 O 0.76664428910289 0.12500000000000 0.41603193097663 15.999 > 17 19 O 0.26664428910289 0.62500000000000 0.41603193097663 15.999 > 17 20 O 0.76664428910289 0.62500000000000 0.41603193097663 15.999 > 17 21 O 0.23335571089711 0.37500000000000 0.58396806902337 15.999 > 21 22 O 0.73335571089711 0.37500000000000 0.58396806902337 15.999 > 21 23 O 0.23335571089711 0.87500000000000 0.58396806902337 15.999 > 21 24 O 0.73335571089711 0.87500000000000 0.58396806902337 15.999 > 21 25 O 0.01664428910289 0.12500000000000 0.08396806902337 15.999 > 25 26 O 0.51664428910289 0.12500000000000 0.08396806902337 15.999 > 25 27 O 0.01664428910289 0.62500000000000 0.08396806902337 15.999 > 25 28 O 0.51664428910289 0.62500000000000 0.08396806902337 15.999 > 25 29 O 0.48335571089711 0.37500000000000 0.91603193097663 15.999 > 29 30 O 0.98335571089711 0.37500000000000 0.91603193097663 15.999 > 29 31 O 0.48335571089711 0.87500000000000 0.91603193097663 15.999 > 29 32 O 0.98335571089711 0.87500000000000 0.91603193097663 15.999 > 29 33 O 0.15083882683420 0.01239199821167 0.15488247290859 15.999 > 33 34 O 0.65083882683420 0.01239199821167 0.15488247290859 15.999 > 33 35 O 0.15083882683420 0.51239199821167 0.15488247290859 15.999 > 33 36 O 0.65083882683420 0.51239199821167 0.15488247290859 15.999 > 33 37 O 0.34916117316580 0.26239199821167 0.84511752709141 15.999 > 37 38 O 0.84916117316580 0.26239199821167 0.84511752709141 15.999 > 37 39 O 0.34916117316580 0.76239199821167 0.84511752709141 15.999 > 37 40 O 0.84916117316580 0.76239199821167 0.84511752709141 15.999 > 37 41 O 0.40083882683420 0.23760800178833 0.34511752709141 15.999 > 41 42 O 0.90083882683420 0.23760800178833 0.34511752709141 15.999 > 41 43 O 0.40083882683420 0.73760800178833 0.34511752709141 15.999 > 41 44 O 0.90083882683420 0.73760800178833 0.34511752709141 15.999 > 41 45 O 0.09916117316580 0.48760800178833 0.65488247290859 15.999 > 45 46 O 0.59916117316580 0.48760800178833 0.65488247290859 15.999 > 45 47 O 0.09916117316580 0.98760800178833 0.65488247290859 15.999 > 45 48 O 0.59916117316580 0.98760800178833 0.65488247290859 15.999 > 45 49 O 0.40083882683420 0.01239199821167 0.34511752709141 15.999 > 49 50 O 0.90083882683420 0.01239199821167 0.34511752709141 15.999 > 49 51 O 0.40083882683420 0.51239199821167 0.34511752709141 15.999 > 49 52 O 0.90083882683420 0.51239199821167 0.34511752709141 15.999 > 49 53 O 0.09916117316580 0.26239199821167 0.65488247290859 15.999 > 53 54 O 0.59916117316580 0.26239199821167 0.65488247290859 15.999 > 53 55 O 0.09916117316580 0.76239199821167 0.65488247290859 15.999 > 53 56 O 0.59916117316580 0.76239199821167 0.65488247290859 15.999 > 53 57 O 0.15083882683420 0.23760800178833 0.15488247290859 15.999 > 57 58 O 0.65083882683420 0.23760800178833 0.15488247290859 15.999 > 57 59 O 0.15083882683420 0.73760800178833 0.15488247290859 15.999 > 57 60 O 0.65083882683420 0.73760800178833 0.15488247290859 15.999 > 57 61 O 0.34916117316580 0.48760800178833 0.84511752709141 15.999 > 61 62 O 0.84916117316580 0.48760800178833 0.84511752709141 15.999 > 61 63 O 0.34916117316580 0.98760800178833 0.84511752709141 15.999 > 61 64 O 0.84916117316580 0.98760800178833 0.84511752709141 15.999 > 61 65 P 0.11756940045106 0.12500000000000 0.08273181066040 30.974 > 65 66 P 0.61756940045107 0.12500000000000 0.08273181066040 30.974 > 65 67 P 0.11756940045106 0.62500000000000 0.08273181066040 30.974 > 65 68 P 0.61756940045107 0.62500000000000 0.08273181066040 30.974 > 65 69 P 0.38243059954893 0.37500000000000 0.91726818933959 30.974 > 69 70 P 0.88243059954893 0.37500000000000 0.91726818933959 30.974 > 69 71 P 0.38243059954893 0.87500000000000 0.91726818933959 30.974 > 69 72 P 0.88243059954893 0.87500000000000 0.91726818933959 30.974 > 69 73 P 0.13243059954893 0.37500000000000 0.58273181066041 30.974 > 73 74 P 0.63243059954893 0.37500000000000 0.58273181066041 30.974 > 73 75 P 0.13243059954893 0.87500000000000 0.58273181066041 30.974 > 73 76 P 0.63243059954893 0.87500000000000 0.58273181066041 30.974 > 73 77 P 0.36756940045107 0.12500000000000 0.41726818933959 30.974 > 77 78 P 0.86756940045107 0.12500000000000 0.41726818933959 30.974 > 77 79 P 0.36756940045107 0.62500000000000 0.41726818933959 30.974 > 77 80 P 0.86756940045107 0.62500000000000 0.41726818933959 30.974 > 77 81 K 0.33021722655973 0.12500000000000 0.08479274382829 39.098 > 81 82 K 0.83021722655973 0.12500000000000 0.08479274382829 39.098 > 81 83 K 0.33021722655973 0.62500000000000 0.08479274382829 39.098 > 81 84 K 0.83021722655973 0.62500000000000 0.08479274382829 39.098 > 81 85 K 0.08021722655973 0.12500000000000 0.41520725617171 39.098 > 85 86 K 0.58021722655973 0.12500000000000 0.41520725617171 39.098 > 85 87 K 0.08021722655973 0.62500000000000 0.41520725617171 39.098 > 85 88 K 0.58021722655973 0.62500000000000 0.41520725617171 39.098 > 85 89 K 0.16978277344027 0.37500000000000 0.91520725617171 39.098 > 89 90 K 0.66978277344027 0.37500000000000 0.91520725617171 39.098 > 89 91 K 0.16978277344027 0.87500000000000 0.91520725617171 39.098 > 89 92 K 0.66978277344027 0.87500000000000 0.91520725617171 39.098 > 89 93 K 0.41978277344027 0.37500000000000 0.58479274382829 39.098 > 93 94 K 0.91978277344027 0.37500000000000 0.58479274382829 39.098 > 93 95 K 0.41978277344027 0.87500000000000 0.58479274382829 39.098 > 93 96 K 0.91978277344027 0.87500000000000 0.58479274382829 39.098 > 93 97 Ba 0.24576949801750 0.12500000000000 0.69335876698209 137.327 > 97 98 Ba 0.74576949801750 0.12500000000000 0.69335876698209 137.327 > 97 99 Ba 0.24576949801750 0.62500000000000 0.69335876698209 137.327 > 97 100 Ba 0.74576949801750 0.62500000000000 0.69335876698209 137.327 > 97 101 Ba 0.25423050198250 0.37500000000000 0.30664123301791 137.327 > 101 102 Ba 0.75423050198250 0.37500000000000 0.30664123301791 137.327 > 101 103 Ba 0.25423050198250 0.87500000000000 0.30664123301791 137.327 > 101 104 Ba 0.75423050198250 0.87500000000000 0.30664123301791 137.327 > 101 105 Ba 0.49576949801750 0.12500000000000 0.80664123301791 137.327 > 105 106 Ba 0.99576949801750 0.12500000000000 0.80664123301791 137.327 > 105 107 Ba 0.49576949801750 0.62500000000000 0.80664123301791 137.327 > 105 108 Ba 0.99576949801750 0.62500000000000 0.80664123301791 137.327 > 105 109 Ba 0.00423050198250 0.37500000000000 0.19335876698209 137.327 > 109 110 Ba 0.50423050198250 0.37500000000000 0.19335876698209 137.327 > 109 111 Ba 0.00423050198250 0.87500000000000 0.19335876698209 137.327 > 109 112 Ba 0.50423050198250 0.87500000000000 0.19335876698209 137.327 > 109----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 2.9040188 0.0000000 0.0000000 0.0000000 2.9399512 0.0000000 0.0000000 0.0000000 2.9297284-------------------------- Born effective charges -------------------------- 1 O -1.5734207 0.0000000 -0.3169006 0.0000000 -1.2574629 0.0000000 -0.3184922 0.0000000 -2.5206956 2 O -1.5734207 0.0000000 -0.3169006 0.0000000 -1.2574629 0.0000000 -0.3184922 0.0000000 -2.5206956 3 O -1.5734207 0.0000000 0.3169006 0.0000000 -1.2574629 0.0000000 0.3184922 0.0000000 -2.5206956 4 O -1.5734207 0.0000000 0.3169006 0.0000000 -1.2574629 0.0000000 0.3184922 0.0000000 -2.5206956 5 O -2.1578569 0.0000000 0.0565902 0.0000000 -1.5062730 0.0000000 0.1199136 0.0000000 -1.5006137 6 O -2.1578569 0.0000000 0.0565902 0.0000000 -1.5062730 0.0000000 0.1199136 0.0000000 -1.5006137 7 O -2.1578569 0.0000000 -0.0565902 0.0000000 -1.5062730 0.0000000 -0.1199136 0.0000000 -1.5006137 8 O -2.1578569 0.0000000 -0.0565902 0.0000000 -1.5062730 0.0000000 -0.1199136 0.0000000 -1.5006137 9 O -1.5725366 0.2623606 -0.2581470 0.3180607 -2.2478618 0.6123310 -0.2787599 0.6091529 -1.5853608 10 O -1.5725366 -0.2623606 -0.2581470 -0.3180607 -2.2478618 -0.6123310 -0.2787599 -0.6091529 -1.5853608 11 O -1.5725366 -0.2623606 0.2581470 -0.3180607 -2.2478618 0.6123310 0.2787599 0.6091529 -1.5853608 12 O -1.5725366 0.2623606 0.2581470 0.3180607 -2.2478618 -0.6123310 0.2787599 -0.6091529 -1.5853608 13 O -1.5725366 0.2623606 0.2581470 0.3180607 -2.2478618 -0.6123310 0.2787599 -0.6091529 -1.5853608 14 O -1.5725366 -0.2623606 0.2581470 -0.3180607 -2.2478618 0.6123310 0.2787599 0.6091529 -1.5853608 15 O -1.5725366 -0.2623606 -0.2581470 -0.3180607 -2.2478618 -0.6123310 -0.2787599 -0.6091529 -1.5853608 16 O -1.5725366 0.2623606 -0.2581470 0.3180607 -2.2478618 0.6123310 -0.2787599 0.6091529 -1.5853608 17 P 2.8432108 0.0000000 0.0225690 0.0000000 3.3812218 0.0000000 0.1130925 0.0000000 3.2344645 18 P 2.8432108 0.0000000 0.0225690 0.0000000 3.3812218 0.0000000 0.1130925 0.0000000 3.2344645 19 P 2.8432108 0.0000000 -0.0225690 0.0000000 3.3812218 0.0000000 -0.1130925 0.0000000 3.2344645 20 P 2.8432108 0.0000000 -0.0225690 0.0000000 3.3812218 0.0000000 -0.1130925 0.0000000 3.2344645 21 K 1.2601456 0.0000000 -0.0342123 0.0000000 1.2272037 0.0000000 0.0045001 0.0000000 1.2094779 22 K 1.2601456 0.0000000 0.0342123 0.0000000 1.2272037 0.0000000 -0.0045001 0.0000000 1.2094779 23 K 1.2601456 0.0000000 -0.0342123 0.0000000 1.2272037 0.0000000 0.0045001 0.0000000 1.2094779 24 K 1.2601456 0.0000000 0.0342123 0.0000000 1.2272037 0.0000000 -0.0045001 0.0000000 1.2094779 25 Ba 2.7729944 0.0000000 0.0231794 0.0000000 2.6510340 0.0000000 0.0489537 0.0000000 2.7480884 26 Ba 2.7729944 0.0000000 0.0231794 0.0000000 2.6510340 0.0000000 0.0489537 0.0000000 2.7480884 27 Ba 2.7729944 0.0000000 -0.0231794 0.0000000 2.6510340 0.0000000 -0.0489537 0.0000000 2.7480884 28 Ba 2.7729944 0.0000000 -0.0231794 0.0000000 2.6510340 0.0000000 -0.0489537 0.0000000 2.7480884----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000004 (yxy) 0.00000004 (yxy) 0.00000004 (yyx)Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 6 9 5 ]fc3-r2q-transformation over three atoms: True--------------------------- Phonon calculations ----------------------------Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.55, Number of G-points: 297, Lambda: 0.10Running 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): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency 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 1.753 ( 0.000 0.000 0.000) 0.000 1.820 ( 0.000 0.000 0.000) 0.000 1.989 ( 0.000 0.000 0.000) 0.000 2.044 ( 0.000 0.000 0.000) 0.000 2.433 ( 0.000 0.000 0.000) 0.000 2.447 ( 0.000 0.000 0.000) 0.000 2.728 ( 0.000 0.000 0.000) 0.000 2.760 ( 0.000 0.000 0.000) 0.000 2.823 ( 0.000 0.000 0.000) 0.000 2.912 ( 0.000 0.000 0.000) 0.000 3.087 ( 0.000 0.000 0.000) 0.000 3.121 ( 0.000 0.000 0.000) 0.000 3.249 ( 0.000 0.000 0.000) 0.000 3.289 ( 0.000 0.000 0.000) 0.000 3.358 ( 0.000 0.000 0.000) 0.000 3.520 ( 0.000 0.000 0.000) 0.000 3.574 ( 0.000 0.000 0.000) 0.000 3.701 ( 0.000 0.000 0.000) 0.000 3.711 ( 0.000 0.000 0.000) 0.000 3.735 ( 0.000 0.000 0.000) 0.000 3.837 ( 0.000 0.000 0.000) 0.000 3.982 ( 0.000 0.000 0.000) 0.000 4.018 ( 0.000 0.000 0.000) 0.000 4.221 ( 0.000 0.000 0.000) 0.000 4.335 ( 0.000 0.000 0.000) 0.000 4.409 ( 0.000 0.000 0.000) 0.000 4.444 ( 0.000 0.000 0.000) 0.000 4.547 ( 0.000 0.000 0.000) 0.000 4.690 ( 0.000 0.000 0.000) 0.000 4.753 ( 0.000 0.000 0.000) 0.000 4.901 ( 0.000 0.000 0.000) 0.000 4.993 ( 0.000 0.000 0.000) 0.000 5.028 ( 0.000 0.000 0.000) 0.000 5.055 ( 0.000 0.000 0.000) 0.000 5.060 ( 0.000 0.000 0.000) 0.000 5.095 ( 0.000 0.000 0.000) 0.000 5.195 ( 0.000 0.000 0.000) 0.000 5.221 ( 0.000 0.000 0.000) 0.000 5.356 ( 0.000 0.000 0.000) 0.000 5.372 ( 0.000 0.000 0.000) 0.000 5.423 ( 0.000 0.000 0.000) 0.000 5.501 ( 0.000 0.000 0.000) 0.000 5.560 ( 0.000 0.000 0.000) 0.000 6.033 ( 0.000 0.000 0.000) 0.000 6.262 ( 0.000 0.000 0.000) 0.000 11.433 ( 0.000 0.000 0.000) 0.000 11.503 ( 0.000 0.000 0.000) 0.000 11.627 ( 0.000 0.000 0.000) 0.000 11.736 ( 0.000 0.000 0.000) 0.000 11.822 ( 0.000 0.000 0.000) 0.000 11.838 ( 0.000 0.000 0.000) 0.000 12.015 ( 0.000 0.000 0.000) 0.000 12.352 ( 0.000 0.000 0.000) 0.000 15.867 ( 0.000 0.000 0.000) 0.000 15.942 ( 0.000 0.000 0.000) 0.000 15.955 ( 0.000 0.000 0.000) 0.000 16.007 ( 0.000 0.000 0.000) 0.000 16.042 ( 0.000 0.000 0.000) 0.000 16.061 ( 0.000 0.000 0.000) 0.000 16.145 ( 0.000 0.000 0.000) 0.000 16.175 ( 0.000 0.000 0.000) 0.000 16.230 ( 0.000 0.000 0.000) 0.000 16.235 ( 0.000 0.000 0.000) 0.000 16.355 ( 0.000 0.000 0.000) 0.000 16.649 ( 0.000 0.000 0.000) 0.000 26.836 ( 0.000 0.000 0.000) 0.000 26.843 ( 0.000 0.000 0.000) 0.000 26.844 ( 0.000 0.000 0.000) 0.000 26.860 ( 0.000 0.000 0.000) 0.000 28.983 ( 0.000 0.000 0.000) 0.000 29.149 ( 0.000 0.000 0.000) 0.000 29.162 ( 0.000 0.000 0.000) 0.000 29.333 ( 0.000 0.000 0.000) 0.000 29.585 ( 0.000 0.000 0.000) 0.000 29.617 ( 0.000 0.000 0.000) 0.000 29.679 ( 0.000 0.000 0.000) 0.000 29.694 ( 0.000 0.000 0.000) 0.000 29.735 ( 0.000 0.000 0.000) 0.000 29.759 ( 0.000 0.000 0.000) 0.000 30.570 ( 0.000 0.000 0.000) 0.000 31.336 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/60) =======================q-point: ( 0.17 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 45Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.610 ( 27.171 0.000 0.000) 27.171 0.614 ( 27.899 0.000 0.000) 27.899 0.991 ( 45.064 0.000 0.000) 45.064 1.707 ( -3.044 0.000 0.000) 3.044 1.937 ( 9.593 0.000 0.000) 9.593 1.986 ( -0.291 0.000 0.000) 0.291 2.105 ( 3.542 0.000 0.000) 3.542 2.353 ( -7.592 0.000 0.000) 7.592 2.403 ( -2.267 0.000 0.000) 2.267 2.719 ( -2.743 0.000 0.000) 2.743 2.776 ( -3.636 0.000 0.000) 3.636 2.841 ( 1.055 0.000 0.000) 1.055 2.884 ( -2.376 0.000 0.000) 2.376 3.057 ( -3.516 0.000 0.000) 3.516 3.190 ( 5.560 0.000 0.000) 5.560 3.238 ( -4.368 0.000 0.000) 4.368 3.293 ( 2.835 0.000 0.000) 2.835 3.352 ( -0.442 0.000 0.000) 0.442 3.503 ( -2.985 0.000 0.000) 2.985 3.662 ( 5.253 0.000 0.000) 5.253 3.667 ( -1.310 0.000 0.000) 1.310 3.670 ( -4.931 0.000 0.000) 4.931 3.696 ( -1.448 0.000 0.000) 1.448 3.972 ( 10.165 0.000 0.000) 10.165 4.039 ( 4.772 0.000 0.000) 4.772 4.081 ( 4.954 0.000 0.000) 4.954 4.244 ( -5.473 0.000 0.000) 5.473 4.335 ( -0.079 0.000 0.000) 0.079 4.368 ( -4.366 0.000 0.000) 4.366 4.446 ( 0.212 0.000 0.000) 0.212 4.524 ( -2.134 0.000 0.000) 2.134 4.608 ( 1.310 0.000 0.000) 1.310 4.808 ( -4.433 0.000 0.000) 4.433 4.999 ( 0.597 0.000 0.000) 0.597 5.048 ( -1.007 0.000 0.000) 1.007 5.050 ( -0.473 0.000 0.000) 0.473 5.071 ( -3.189 0.000 0.000) 3.189 5.071 ( -3.004 0.000 0.000) 3.004 5.196 ( 6.046 0.000 0.000) 6.046 5.211 ( -1.103 0.000 0.000) 1.103 5.276 ( -9.366 0.000 0.000) 9.366 5.333 ( -1.869 0.000 0.000) 1.869 5.357 ( -1.334 0.000 0.000) 1.334 5.539 ( 1.849 0.000 0.000) 1.849 5.609 ( 3.530 0.000 0.000) 3.530 5.959 ( -6.818 0.000 0.000) 6.818 6.206 ( 14.070 0.000 0.000) 14.070 7.437 ( -6.889 0.000 0.000) 6.889 11.454 ( 1.874 0.000 0.000) 1.874 11.525 ( 1.939 0.000 0.000) 1.939 11.637 ( 1.095 0.000 0.000) 1.095 11.718 ( -1.627 0.000 0.000) 1.627 11.816 ( -1.967 0.000 0.000) 1.967 11.905 ( 6.900 0.000 0.000) 6.900 11.961 ( -4.338 0.000 0.000) 4.338 12.370 ( 0.873 0.000 0.000) 0.873 15.861 ( -0.353 0.000 0.000) 0.353 15.938 ( -0.302 0.000 0.000) 0.302 15.994 ( -2.858 0.000 0.000) 2.858 16.021 ( 1.242 0.000 0.000) 1.242 16.066 ( 0.388 0.000 0.000) 0.388 16.142 ( -0.315 0.000 0.000) 0.315 16.155 ( -4.928 0.000 0.000) 4.928 16.217 ( -1.147 0.000 0.000) 1.147 16.240 ( 4.468 0.000 0.000) 4.468 16.382 ( 1.788 0.000 0.000) 1.788 16.613 ( -0.932 0.000 0.000) 0.932 16.629 ( -1.651 0.000 0.000) 1.651 26.827 ( -0.334 0.000 0.000) 0.334 26.840 ( -0.271 0.000 0.000) 0.271 26.860 ( 0.906 0.000 0.000) 0.906 26.868 ( 0.582 0.000 0.000) 0.582 28.997 ( 1.192 0.000 0.000) 1.192 29.150 ( -0.130 0.000 0.000) 0.130 29.327 ( 0.486 0.000 0.000) 0.486 29.591 ( 0.524 0.000 0.000) 0.524 29.622 ( 0.482 0.000 0.000) 0.482 29.672 ( -0.615 0.000 0.000) 0.615 29.689 ( -0.438 0.000 0.000) 0.438 29.715 ( -1.908 0.000 0.000) 1.908 29.881 ( 10.029 0.000 0.000) 10.029 30.600 ( 2.764 0.000 0.000) 2.764 30.810 ( -4.234 0.000 0.000) 4.234 31.296 ( -8.912 0.000 0.000) 8.912======================= Grid point 2 (3/60) =======================q-point: ( 0.33 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.147 ( 21.873 0.000 0.000) 21.873 1.192 ( 25.283 0.000 0.000) 25.283 1.645 ( -3.126 0.000 0.000) 3.126 1.914 ( 35.231 0.000 0.000) 35.231 1.981 ( 0.075 0.000 0.000) 0.075 2.052 ( -4.177 0.000 0.000) 4.177 2.118 ( -3.109 0.000 0.000) 3.109 2.271 ( 7.824 0.000 0.000) 7.824 2.362 ( -1.118 0.000 0.000) 1.118 2.655 ( -4.417 0.000 0.000) 4.417 2.692 ( 0.929 0.000 0.000) 0.929 2.821 ( -3.232 0.000 0.000) 3.232 2.822 ( -4.141 0.000 0.000) 4.141 3.052 ( 1.479 0.000 0.000) 1.479 3.133 ( -4.063 0.000 0.000) 4.063 3.322 ( 5.552 0.000 0.000) 5.552 3.349 ( 0.478 0.000 0.000) 0.478 3.361 ( 3.254 0.000 0.000) 3.254 3.382 ( -10.817 0.000 0.000) 10.817 3.565 ( -3.688 0.000 0.000) 3.688 3.574 ( -10.722 0.000 0.000) 10.722 3.646 ( -3.221 0.000 0.000) 3.221 3.756 ( 3.544 0.000 0.000) 3.544 3.915 ( -10.964 0.000 0.000) 10.964 4.160 ( 5.751 0.000 0.000) 5.751 4.204 ( 6.075 0.000 0.000) 6.075 4.234 ( 12.068 0.000 0.000) 12.068 4.324 ( -1.230 0.000 0.000) 1.230 4.399 ( 1.857 0.000 0.000) 1.857 4.454 ( -4.337 0.000 0.000) 4.337 4.459 ( 1.517 0.000 0.000) 1.517 4.684 ( -1.036 0.000 0.000) 1.036 4.758 ( 1.648 0.000 0.000) 1.648 5.003 ( 0.640 0.000 0.000) 0.640 5.004 ( -5.678 0.000 0.000) 5.678 5.020 ( 0.924 0.000 0.000) 0.924 5.026 ( -0.813 0.000 0.000) 0.813 5.041 ( 0.343 0.000 0.000) 0.343 5.095 ( -5.054 0.000 0.000) 5.054 5.166 ( -3.106 0.000 0.000) 3.106 5.297 ( -1.004 0.000 0.000) 1.004 5.322 ( -1.670 0.000 0.000) 1.670 5.335 ( 5.993 0.000 0.000) 5.993 5.574 ( 2.053 0.000 0.000) 2.053 5.642 ( -0.920 0.000 0.000) 0.920 5.765 ( -10.160 0.000 0.000) 10.160 6.556 ( 17.132 0.000 0.000) 17.132 7.225 ( -12.374 0.000 0.000) 12.374 11.509 ( 3.118 0.000 0.000) 3.118 11.580 ( 2.745 0.000 0.000) 2.745 11.671 ( -2.298 0.000 0.000) 2.298 11.678 ( 2.755 0.000 0.000) 2.755 11.757 ( -3.346 0.000 0.000) 3.346 11.855 ( -5.048 0.000 0.000) 5.048 12.085 ( 8.946 0.000 0.000) 8.946 12.359 ( -2.372 0.000 0.000) 2.372 15.866 ( 1.224 0.000 0.000) 1.224 15.931 ( -0.288 0.000 0.000) 0.288 15.947 ( -1.420 0.000 0.000) 1.420 16.035 ( -5.783 0.000 0.000) 5.783 16.055 ( 1.774 0.000 0.000) 1.774 16.076 ( 0.526 0.000 0.000) 0.526 16.134 ( -0.234 0.000 0.000) 0.234 16.183 ( -1.900 0.000 0.000) 1.900 16.337 ( 4.157 0.000 0.000) 4.157 16.414 ( 0.917 0.000 0.000) 0.917 16.584 ( -1.535 0.000 0.000) 1.535 16.589 ( -1.814 0.000 0.000) 1.814 26.824 ( 0.079 0.000 0.000) 0.079 26.834 ( -0.261 0.000 0.000) 0.261 26.877 ( 0.608 0.000 0.000) 0.608 26.880 ( 0.425 0.000 0.000) 0.425 29.033 ( 2.104 0.000 0.000) 2.104 29.131 ( -1.727 0.000 0.000) 1.727 29.388 ( 5.138 0.000 0.000) 5.138 29.607 ( 0.938 0.000 0.000) 0.938 29.637 ( 0.826 0.000 0.000) 0.826 29.647 ( -4.508 0.000 0.000) 4.508 29.654 ( -1.022 0.000 0.000) 1.022 29.676 ( -0.788 0.000 0.000) 0.788 30.139 ( 13.071 0.000 0.000) 13.071 30.666 ( -9.229 0.000 0.000) 9.229 30.691 ( 5.687 0.000 0.000) 5.687 31.063 ( -11.286 0.000 0.000) 11.286======================= Grid point 3 (4/60) =======================q-point: (-0.50 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 30Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.512 ( -11.015 0.000 0.000) 11.015 1.512 ( 11.015 0.000 0.000) 11.015 1.689 ( -20.241 0.000 0.000) 20.241 1.689 ( 20.241 0.000 0.000) 20.241 2.018 ( -3.983 0.000 0.000) 3.983 2.018 ( 3.983 0.000 0.000) 3.983 2.347 ( -1.656 0.000 0.000) 1.656 2.347 ( 1.656 0.000 0.000) 1.656 2.657 ( -10.906 0.000 0.000) 10.906 2.657 ( 10.906 0.000 0.000) 10.906 2.747 ( -3.472 0.000 0.000) 3.472 2.747 ( 3.472 0.000 0.000) 3.472 2.841 ( -31.433 0.000 0.000) 31.433 2.841 ( 31.433 0.000 0.000) 31.433 3.083 ( -1.375 0.000 0.000) 1.375 3.083 ( 1.375 0.000 0.000) 1.375 3.371 ( -0.863 0.000 0.000) 0.863 3.371 ( 0.863 0.000 0.000) 0.863 3.430 ( -3.400 0.000 0.000) 3.400 3.430 ( 3.400 0.000 0.000) 3.400 3.565 ( -3.462 0.000 0.000) 3.462 3.565 ( 3.462 0.000 0.000) 3.462 3.819 ( -2.373 0.000 0.000) 2.373 3.819 ( 2.373 0.000 0.000) 2.373 4.264 ( -3.468 0.000 0.000) 3.468 4.264 ( 3.468 0.000 0.000) 3.468 4.343 ( -5.606 0.000 0.000) 5.606 4.343 ( 5.606 0.000 0.000) 5.606 4.396 ( -2.484 0.000 0.000) 2.484 4.396 ( 2.484 0.000 0.000) 2.484 4.561 ( -7.560 0.000 0.000) 7.560 4.561 ( 7.560 0.000 0.000) 7.560 4.853 ( -6.296 0.000 0.000) 6.296 4.853 ( 6.296 0.000 0.000) 6.296 5.019 ( -0.157 0.000 0.000) 0.157 5.019 ( 0.157 0.000 0.000) 0.157 5.048 ( -1.533 0.000 0.000) 1.533 5.048 ( 1.533 0.000 0.000) 1.533 5.090 ( -3.382 0.000 0.000) 3.382 5.090 ( 3.382 0.000 0.000) 3.382 5.294 ( -0.716 0.000 0.000) 0.716 5.294 ( 0.716 0.000 0.000) 0.716 5.499 ( -9.744 0.000 0.000) 9.744 5.499 ( 9.744 0.000 0.000) 9.744 5.633 ( -3.061 0.000 0.000) 3.061 5.633 ( 3.061 0.000 0.000) 3.061 6.917 ( -15.847 0.000 0.000) 15.847 6.917 ( 15.847 0.000 0.000) 15.847 11.579 ( -2.924 0.000 0.000) 2.924 11.579 ( 2.924 0.000 0.000) 2.924 11.681 ( -3.306 0.000 0.000) 3.306 11.681 ( 3.306 0.000 0.000) 3.306 11.754 ( -4.184 0.000 0.000) 4.184 11.754 ( 4.184 0.000 0.000) 4.184 12.260 ( -6.678 0.000 0.000) 6.678 12.260 ( 6.678 0.000 0.000) 6.678 15.924 ( -4.044 0.000 0.000) 4.044 15.924 ( 4.044 0.000 0.000) 4.044 15.930 ( -0.191 0.000 0.000) 0.191 15.930 ( 0.191 0.000 0.000) 0.191 16.082 ( -0.317 0.000 0.000) 0.317 16.082 ( 0.317 0.000 0.000) 0.317 16.144 ( -1.364 0.000 0.000) 1.364 16.144 ( 1.364 0.000 0.000) 1.364 16.406 ( -1.936 0.000 0.000) 1.936 16.406 ( 1.936 0.000 0.000) 1.936 16.564 ( -0.139 0.000 0.000) 0.139 16.564 ( 0.139 0.000 0.000) 0.139 26.829 ( -0.262 0.000 0.000) 0.262 26.829 ( 0.262 0.000 0.000) 0.262 26.884 ( -0.057 0.000 0.000) 0.057 26.884 ( 0.057 0.000 0.000) 0.057 29.083 ( -2.428 0.000 0.000) 2.428 29.083 ( 2.428 0.000 0.000) 2.428 29.524 ( -6.615 0.000 0.000) 6.615 29.524 ( 6.615 0.000 0.000) 6.615 29.630 ( -1.129 0.000 0.000) 1.129 29.630 ( 1.129 0.000 0.000) 1.129 29.656 ( -0.935 0.000 0.000) 0.935 29.656 ( 0.935 0.000 0.000) 0.935 30.422 ( -12.720 0.000 0.000) 12.720 30.422 ( 12.720 0.000 0.000) 12.720 30.845 ( -8.652 0.000 0.000) 8.652 30.845 ( 8.652 0.000 0.000) 8.652======================= Grid point 7 (5/60) =======================q-point: ( 0.00 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.525 ( 0.000 26.345 0.000) 26.345 0.559 ( 0.000 28.479 0.000) 28.479 0.949 ( 0.000 44.996 0.000) 44.996 1.856 ( 0.000 4.458 0.000) 4.458 1.858 ( 0.000 9.519 0.000) 9.519 2.045 ( 0.000 0.007 0.000) 0.007 2.086 ( 0.000 7.937 0.000) 7.937 2.447 ( 0.000 0.263 0.000) 0.263 2.464 ( 0.000 3.161 0.000) 3.161 2.723 ( 0.000 -0.241 0.000) 0.241 2.769 ( 0.000 0.922 0.000) 0.922 2.831 ( 0.000 0.537 0.000) 0.537 3.080 ( 0.000 0.188 0.000) 0.188 3.172 ( 0.000 4.432 0.000) 4.432 3.203 ( 0.000 -4.356 0.000) 4.356 3.285 ( 0.000 -0.501 0.000) 0.501 3.484 ( 0.000 -2.485 0.000) 2.485 3.507 ( 0.000 0.797 0.000) 0.797 3.508 ( 0.000 12.313 0.000) 12.313 3.578 ( 0.000 1.475 0.000) 1.475 3.586 ( 0.000 -9.413 0.000) 9.413 3.784 ( 0.000 2.991 0.000) 2.991 3.797 ( 0.000 5.053 0.000) 5.053 3.889 ( 0.000 6.394 0.000) 6.394 4.004 ( 0.000 2.241 0.000) 2.241 4.035 ( 0.000 1.098 0.000) 1.098 4.254 ( 0.000 3.220 0.000) 3.220 4.367 ( 0.000 2.539 0.000) 2.539 4.449 ( 0.000 0.877 0.000) 0.877 4.526 ( 0.000 10.168 0.000) 10.168 4.646 ( 0.000 -4.222 0.000) 4.222 4.674 ( 0.000 7.194 0.000) 7.194 4.707 ( 0.000 -4.501 0.000) 4.501 4.806 ( 0.000 -6.340 0.000) 6.340 5.016 ( 0.000 -1.689 0.000) 1.689 5.050 ( 0.000 3.272 0.000) 3.272 5.089 ( 0.000 -8.337 0.000) 8.337 5.099 ( 0.000 0.361 0.000) 0.361 5.109 ( 0.000 4.926 0.000) 4.926 5.189 ( 0.000 -2.943 0.000) 2.943 5.391 ( 0.000 3.338 0.000) 3.338 5.401 ( 0.000 1.637 0.000) 1.637 5.430 ( 0.000 0.685 0.000) 0.685 5.521 ( 0.000 2.041 0.000) 2.041 5.559 ( 0.000 -0.269 0.000) 0.269 5.974 ( 0.000 -5.407 0.000) 5.407 6.187 ( 0.000 -7.220 0.000) 7.220 7.286 ( 0.000 -7.430 0.000) 7.430 11.487 ( 0.000 5.043 0.000) 5.043 11.496 ( 0.000 -1.018 0.000) 1.018 11.676 ( 0.000 4.308 0.000) 4.308 11.711 ( 0.000 -2.107 0.000) 2.107 11.828 ( 0.000 -1.132 0.000) 1.132 11.859 ( 0.000 3.156 0.000) 3.156 11.993 ( 0.000 -1.896 0.000) 1.896 12.347 ( 0.000 -0.490 0.000) 0.490 15.868 ( 0.000 0.165 0.000) 0.165 15.900 ( 0.000 -4.744 0.000) 4.744 15.939 ( 0.000 -0.238 0.000) 0.238 15.957 ( 0.000 0.224 0.000) 0.224 16.094 ( 0.000 -2.201 0.000) 2.201 16.174 ( 0.000 -2.711 0.000) 2.711 16.192 ( 0.000 8.916 0.000) 8.916 16.255 ( 0.000 5.067 0.000) 5.067 16.292 ( 0.000 2.885 0.000) 2.885 16.336 ( 0.000 -1.833 0.000) 1.833 16.446 ( 0.000 0.103 0.000) 0.103 16.618 ( 0.000 -3.063 0.000) 3.063 26.833 ( 0.000 -0.295 0.000) 0.295 26.837 ( 0.000 -0.667 0.000) 0.667 26.842 ( 0.000 -0.165 0.000) 0.165 26.855 ( 0.000 -0.465 0.000) 0.465 28.982 ( 0.000 -0.064 0.000) 0.064 29.141 ( 0.000 -0.828 0.000) 0.828 29.161 ( 0.000 0.017 0.000) 0.017 29.309 ( 0.000 -2.309 0.000) 2.309 29.605 ( 0.000 -1.685 0.000) 1.685 29.632 ( 0.000 -3.232 0.000) 3.232 29.704 ( 0.000 -3.054 0.000) 3.054 29.739 ( 0.000 5.756 0.000) 5.756 29.854 ( 0.000 6.626 0.000) 6.626 30.501 ( 0.000 -6.784 0.000) 6.784 31.352 ( 0.000 1.991 0.000) 1.991 31.965 ( 0.000 0.677 0.000) 0.677======================= Grid point 8 (6/60) =======================q-point: ( 0.17 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 81Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.695 ( 17.373 14.825 0.000) 22.839 0.806 ( 21.032 16.959 0.000) 27.018 1.422 ( 32.223 31.543 0.000) 45.092 1.807 ( -3.534 8.856 0.000) 9.536 1.972 ( 9.827 4.501 0.000) 10.809 2.068 ( -1.600 6.408 0.000) 6.605 2.087 ( 2.068 -1.583 0.000) 2.604 2.369 ( -6.287 1.936 0.000) 6.578 2.450 ( -1.135 4.529 0.000) 4.669 2.740 ( -0.093 -1.359 0.000) 1.362 2.758 ( -0.254 3.855 0.000) 3.863 2.853 ( 1.518 1.073 0.000) 1.859 2.943 ( -7.471 1.829 0.000) 7.692 3.203 ( -0.674 -0.320 0.000) 0.746 3.249 ( 1.952 -2.557 0.000) 3.217 3.268 ( -10.059 13.631 0.000) 16.941 3.275 ( 2.137 4.897 0.000) 5.342 3.412 ( -5.402 -7.182 0.000) 8.987 3.478 ( -1.336 9.959 0.000) 10.048 3.613 ( 2.069 -3.537 0.000) 4.098 3.662 ( 6.370 0.569 0.000) 6.395 3.734 ( -2.005 3.900 0.000) 4.385 3.742 ( -5.068 4.286 0.000) 6.637 4.027 ( 9.142 5.393 0.000) 10.614 4.060 ( 4.663 2.232 0.000) 5.170 4.094 ( 4.831 -0.177 0.000) 4.835 4.280 ( 0.266 4.478 0.000) 4.486 4.325 ( -8.755 1.629 0.000) 8.906 4.399 ( -1.417 -2.337 0.000) 2.733 4.458 ( -4.039 3.220 0.000) 5.166 4.582 ( -2.411 3.997 0.000) 4.668 4.618 ( 3.136 3.317 0.000) 4.564 4.738 ( -3.726 -5.417 0.000) 6.575 4.942 ( 4.201 -4.512 0.000) 6.165 5.002 ( -3.266 -5.995 0.000) 6.827 5.040 ( -0.150 2.012 0.000) 2.017 5.109 ( 0.204 5.046 0.000) 5.050 5.116 ( 0.281 0.094 0.000) 0.297 5.168 ( 6.756 -1.611 0.000) 6.946 5.187 ( 0.608 -2.140 0.000) 2.224 5.311 ( -7.473 1.295 0.000) 7.584 5.363 ( -3.054 4.670 0.000) 5.580 5.374 ( -1.911 1.129 0.000) 2.220 5.540 ( 0.915 0.425 0.000) 1.008 5.607 ( 2.346 -0.684 0.000) 2.444 5.963 ( -12.849 -2.240 0.000) 13.042 6.138 ( 13.312 -6.333 0.000) 14.742 7.282 ( -4.136 -11.928 0.000) 12.624 11.507 ( 1.817 4.921 0.000) 5.246 11.531 ( 3.028 0.208 0.000) 3.035 11.661 ( -0.167 2.911 0.000) 2.915 11.735 ( 0.978 -0.184 0.000) 0.995 11.814 ( -1.263 -0.282 0.000) 1.294 11.924 ( 4.719 2.371 0.000) 5.281 11.951 ( -3.575 -0.907 0.000) 3.688 12.349 ( -0.214 -1.883 0.000) 1.895 15.861 ( -0.413 -0.045 0.000) 0.416 15.869 ( -0.657 -4.018 0.000) 4.072 15.906 ( 0.403 -3.952 0.000) 3.973 16.035 ( 0.874 -1.517 0.000) 1.751 16.065 ( -1.756 -0.639 0.000) 1.869 16.138 ( -3.423 -2.043 0.000) 3.987 16.180 ( -0.780 5.431 0.000) 5.487 16.224 ( -2.610 1.189 0.000) 2.868 16.311 ( 3.964 5.633 0.000) 6.888 16.371 ( 1.887 -1.117 0.000) 2.192 16.568 ( 4.396 -1.955 0.000) 4.811 16.599 ( -1.521 -2.920 0.000) 3.292 26.825 ( -0.317 -0.212 0.000) 0.381 26.834 ( -0.196 -0.544 0.000) 0.578 26.854 ( 0.763 -0.379 0.000) 0.852 26.862 ( 0.525 -0.565 0.000) 0.771 28.993 ( 1.128 -0.290 0.000) 1.165 29.138 ( -0.310 -1.080 0.000) 1.124 29.301 ( -0.099 -2.317 0.000) 2.319 29.372 ( 10.507 -8.977 0.000) 13.819 29.565 ( -2.316 -4.717 0.000) 5.254 29.646 ( 0.565 -2.855 0.000) 2.910 29.749 ( 2.880 1.204 0.000) 3.122 29.752 ( 1.158 6.976 0.000) 7.071 29.942 ( 7.959 5.130 0.000) 9.470 30.535 ( 3.164 -6.300 0.000) 7.050 31.177 ( -16.161 9.299 0.000) 18.646 31.452 ( -22.564 17.594 0.000) 28.613======================= Grid point 9 (7/60) =======================q-point: ( 0.33 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.147 ( 21.101 2.675 0.000) 21.270 1.294 ( 22.717 9.865 0.000) 24.766 1.719 ( -5.241 6.169 0.000) 8.095 2.013 ( -3.590 2.743 0.000) 4.518 2.079 ( 6.098 8.872 0.000) 10.766 2.090 ( -1.721 -2.148 0.000) 2.752 2.156 ( 16.196 11.844 0.000) 20.064 2.335 ( 13.068 7.855 0.000) 15.247 2.420 ( -1.502 5.231 0.000) 5.442 2.661 ( -4.387 1.191 0.000) 4.546 2.783 ( 2.156 8.598 0.000) 8.864 2.849 ( -3.205 2.856 0.000) 4.293 2.892 ( 1.564 4.104 0.000) 4.392 3.115 ( -4.186 -1.750 0.000) 4.537 3.130 ( -3.557 10.606 0.000) 11.186 3.297 ( -6.239 -5.096 0.000) 8.055 3.306 ( 2.404 -4.151 0.000) 4.797 3.399 ( 6.815 6.178 0.000) 9.198 3.465 ( 0.557 8.302 0.000) 8.321 3.551 ( -9.682 -1.167 0.000) 9.752 3.650 ( -3.492 4.774 0.000) 5.915 3.668 ( -3.338 3.969 0.000) 5.185 3.788 ( 3.960 1.134 0.000) 4.119 3.974 ( -12.927 6.051 0.000) 14.273 4.173 ( 5.208 1.158 0.000) 5.335 4.211 ( 4.794 -1.917 0.000) 5.163 4.245 ( 8.975 2.300 0.000) 9.265 4.324 ( 1.296 2.860 0.000) 3.140 4.396 ( 1.419 -3.918 0.000) 4.167 4.428 ( -1.872 1.369 0.000) 2.319 4.520 ( -2.954 4.272 0.000) 5.194 4.640 ( -2.316 -4.456 0.000) 5.022 4.752 ( 3.854 1.907 0.000) 4.299 4.937 ( -3.419 -2.152 0.000) 4.040 4.956 ( 0.959 -4.840 0.000) 4.934 5.059 ( 1.578 2.947 0.000) 3.343 5.083 ( -2.252 0.131 0.000) 2.256 5.120 ( 1.112 6.952 0.000) 7.040 5.152 ( -5.239 1.014 0.000) 5.337 5.199 ( -1.352 6.353 0.000) 6.496 5.303 ( 5.266 -2.497 0.000) 5.828 5.309 ( -1.312 2.245 0.000) 2.600 5.333 ( -1.511 0.636 0.000) 1.639 5.559 ( 1.353 -1.130 0.000) 1.763 5.622 ( -1.943 -2.121 0.000) 2.876 5.706 ( -10.414 -5.126 0.000) 11.608 6.470 ( 16.259 -8.217 0.000) 18.218 7.105 ( -11.470 -11.069 0.000) 15.940 11.561 ( 3.060 4.627 0.000) 5.547 11.613 ( 4.093 2.696 0.000) 4.901 11.673 ( 0.900 0.306 0.000) 0.950 11.727 ( -0.979 4.333 0.000) 4.442 11.776 ( -2.176 1.819 0.000) 2.836 11.855 ( -4.994 0.124 0.000) 4.995 12.061 ( 7.525 -1.929 0.000) 7.768 12.318 ( -2.924 -3.768 0.000) 4.769 15.864 ( 0.936 -0.150 0.000) 0.948 15.878 ( 0.938 -4.687 0.000) 4.779 15.910 ( -0.083 -2.798 0.000) 2.799 16.003 ( -3.890 -1.858 0.000) 4.311 16.043 ( -0.263 -1.381 0.000) 1.406 16.069 ( -1.729 -1.025 0.000) 2.009 16.164 ( -0.524 3.285 0.000) 3.326 16.184 ( -1.368 0.777 0.000) 1.574 16.395 ( 3.318 4.415 0.000) 5.522 16.410 ( 1.581 -1.049 0.000) 1.897 16.566 ( -1.142 -1.981 0.000) 2.287 16.599 ( -0.653 1.264 0.000) 1.422 26.822 ( 0.068 -0.205 0.000) 0.216 26.830 ( -0.199 -0.398 0.000) 0.445 26.869 ( 0.574 -0.620 0.000) 0.844 26.873 ( 0.389 -0.647 0.000) 0.755 29.028 ( 2.038 -0.447 0.000) 2.086 29.119 ( -1.545 -1.071 0.000) 1.880 29.326 ( 2.427 -4.450 0.000) 5.069 29.456 ( -1.861 -8.290 0.000) 8.496 29.571 ( 2.861 -3.958 0.000) 4.884 29.645 ( -0.641 -1.789 0.000) 1.900 29.785 ( 1.702 9.849 0.000) 9.995 29.801 ( 1.643 6.603 0.000) 6.804 30.171 ( 12.531 2.614 0.000) 12.801 30.642 ( 6.820 -4.361 0.000) 8.095 30.805 ( -16.314 9.466 0.000) 18.861 31.095 ( -13.879 4.734 0.000) 14.664======================= Grid point 10 (8/60) =======================q-point: (-0.50 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 54Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.528 ( -13.237 1.773 0.000) 13.355 1.528 ( 13.237 1.773 0.000) 13.355 1.747 ( -18.244 5.912 0.000) 19.178 1.747 ( 18.244 5.912 0.000) 19.178 2.051 ( -0.818 2.387 0.000) 2.523 2.051 ( 0.818 2.387 0.000) 2.523 2.390 ( -2.251 4.347 0.000) 4.895 2.390 ( 2.251 4.347 0.000) 4.895 2.699 ( -7.631 2.243 0.000) 7.954 2.699 ( 7.631 2.243 0.000) 7.954 2.773 ( -10.287 4.570 0.000) 11.257 2.773 ( 10.287 4.570 0.000) 11.257 3.013 ( -15.252 14.091 0.000) 20.765 3.013 ( 15.252 14.091 0.000) 20.765 3.082 ( -0.728 2.188 0.000) 2.306 3.082 ( 0.728 2.188 0.000) 2.306 3.365 ( -4.076 -3.469 0.000) 5.352 3.365 ( 4.076 -3.469 0.000) 5.352 3.501 ( -0.962 9.594 0.000) 9.642 3.501 ( 0.962 9.594 0.000) 9.642 3.587 ( -2.386 1.909 0.000) 3.056 3.587 ( 2.386 1.909 0.000) 3.056 3.849 ( -2.262 2.073 0.000) 3.068 3.849 ( 2.262 2.073 0.000) 3.068 4.253 ( -1.484 -1.988 0.000) 2.481 4.253 ( 1.484 -1.988 0.000) 2.481 4.362 ( -3.277 -1.604 0.000) 3.649 4.362 ( 3.277 -1.604 0.000) 3.649 4.381 ( -3.516 2.964 0.000) 4.598 4.381 ( 3.516 2.964 0.000) 4.598 4.556 ( -5.421 -0.236 0.000) 5.426 4.556 ( 5.421 -0.236 0.000) 5.426 4.835 ( -4.698 -0.034 0.000) 4.698 4.835 ( 4.698 -0.034 0.000) 4.698 5.021 ( -3.585 -2.515 0.000) 4.379 5.021 ( 3.585 -2.515 0.000) 4.379 5.090 ( -1.266 2.590 0.000) 2.882 5.090 ( 1.266 2.590 0.000) 2.882 5.157 ( -1.969 8.284 0.000) 8.515 5.157 ( 1.969 8.284 0.000) 8.515 5.307 ( -0.657 1.186 0.000) 1.356 5.307 ( 0.657 1.186 0.000) 1.356 5.449 ( -9.086 -4.552 0.000) 10.162 5.449 ( 9.086 -4.552 0.000) 10.162 5.605 ( -2.581 -2.385 0.000) 3.514 5.605 ( 2.581 -2.385 0.000) 3.514 6.813 ( -15.094 -9.854 0.000) 18.026 6.813 ( 15.094 -9.854 0.000) 18.026 11.629 ( -2.746 4.092 0.000) 4.928 11.629 ( 2.746 4.092 0.000) 4.928 11.720 ( -3.223 3.520 0.000) 4.773 11.720 ( 3.223 3.520 0.000) 4.773 11.752 ( -3.681 0.589 0.000) 3.728 11.752 ( 3.681 0.589 0.000) 3.728 12.217 ( -6.323 -4.023 0.000) 7.494 12.217 ( 6.323 -4.023 0.000) 7.494 15.895 ( -0.023 -3.180 0.000) 3.180 15.895 ( 0.023 -3.180 0.000) 3.180 15.918 ( -2.699 -0.640 0.000) 2.774 15.918 ( 2.699 -0.640 0.000) 2.774 16.048 ( -0.580 -2.102 0.000) 2.181 16.048 ( 0.580 -2.102 0.000) 2.181 16.163 ( -0.490 1.859 0.000) 1.923 16.163 ( 0.490 1.859 0.000) 1.923 16.432 ( -0.065 0.729 0.000) 0.732 16.432 ( 0.065 0.729 0.000) 0.732 16.569 ( -1.427 1.109 0.000) 1.807 16.569 ( 1.427 1.109 0.000) 1.807 26.826 ( -0.216 -0.275 0.000) 0.350 26.826 ( 0.216 -0.275 0.000) 0.350 26.877 ( -0.079 -0.681 0.000) 0.686 26.877 ( 0.079 -0.681 0.000) 0.686 29.076 ( -2.273 -0.687 0.000) 2.374 29.076 ( 2.273 -0.687 0.000) 2.374 29.393 ( -3.363 -7.471 0.000) 8.193 29.393 ( 3.363 -7.471 0.000) 8.193 29.621 ( -1.611 -1.803 0.000) 2.418 29.621 ( 1.611 -1.803 0.000) 2.418 29.813 ( -0.528 10.299 0.000) 10.312 29.813 ( 0.528 10.299 0.000) 10.312 30.468 ( -14.858 3.633 0.000) 15.296 30.468 ( 14.858 3.633 0.000) 15.296 30.830 ( -10.549 -0.551 0.000) 10.563 30.830 ( 10.549 -0.551 0.000) 10.563======================= Grid point 14 (9/60) =======================q-point: ( 0.00 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.024 ( 0.000 24.203 0.000) 24.203 1.103 ( 0.000 26.313 0.000) 26.313 1.626 ( 0.000 19.834 0.000) 19.834 2.048 ( 0.000 0.702 0.000) 0.702 2.051 ( 0.000 7.853 0.000) 7.853 2.087 ( 0.000 20.861 0.000) 20.861 2.233 ( 0.000 6.528 0.000) 6.528 2.481 ( 0.000 4.328 0.000) 4.328 2.557 ( 0.000 6.272 0.000) 6.272 2.715 ( 0.000 -1.000 0.000) 1.000 2.808 ( 0.000 3.733 0.000) 3.733 2.835 ( 0.000 -0.466 0.000) 0.466 3.094 ( 0.000 -6.152 0.000) 6.152 3.101 ( 0.000 1.415 0.000) 1.415 3.235 ( 0.000 0.303 0.000) 0.303 3.251 ( 0.000 -4.035 0.000) 4.035 3.418 ( 0.000 -5.735 0.000) 5.735 3.475 ( 0.000 2.597 0.000) 2.597 3.523 ( 0.000 1.308 0.000) 1.308 3.614 ( 0.000 1.226 0.000) 1.226 3.695 ( 0.000 5.206 0.000) 5.206 3.867 ( 0.000 6.056 0.000) 6.056 3.895 ( 0.000 4.787 0.000) 4.787 4.032 ( 0.000 -1.894 0.000) 1.894 4.053 ( 0.000 4.280 0.000) 4.280 4.166 ( 0.000 18.891 0.000) 18.891 4.290 ( 0.000 -2.641 0.000) 2.641 4.425 ( 0.000 2.650 0.000) 2.650 4.472 ( 0.000 0.930 0.000) 0.930 4.572 ( 0.000 -0.645 0.000) 0.645 4.582 ( 0.000 -8.013 0.000) 8.013 4.698 ( 0.000 -4.458 0.000) 4.458 4.716 ( 0.000 7.889 0.000) 7.889 4.820 ( 0.000 -14.263 0.000) 14.263 4.862 ( 0.000 11.385 0.000) 11.385 5.074 ( 0.000 3.287 0.000) 3.287 5.093 ( 0.000 0.906 0.000) 0.906 5.112 ( 0.000 1.086 0.000) 1.086 5.133 ( 0.000 -1.541 0.000) 1.541 5.242 ( 0.000 8.657 0.000) 8.657 5.416 ( 0.000 0.377 0.000) 0.377 5.453 ( 0.000 1.787 0.000) 1.787 5.470 ( 0.000 4.160 0.000) 4.160 5.542 ( 0.000 -1.660 0.000) 1.660 5.578 ( 0.000 3.599 0.000) 3.599 5.861 ( 0.000 -4.900 0.000) 4.900 6.005 ( 0.000 -10.463 0.000) 10.463 7.071 ( 0.000 -14.287 0.000) 14.287 11.485 ( 0.000 -0.051 0.000) 0.051 11.597 ( 0.000 5.010 0.000) 5.010 11.663 ( 0.000 -2.677 0.000) 2.677 11.776 ( 0.000 5.488 0.000) 5.488 11.791 ( 0.000 -2.576 0.000) 2.576 11.927 ( 0.000 3.442 0.000) 3.442 11.968 ( 0.000 0.441 0.000) 0.441 12.335 ( 0.000 -0.696 0.000) 0.696 15.835 ( 0.000 -1.887 0.000) 1.887 15.872 ( 0.000 0.091 0.000) 0.091 15.938 ( 0.000 0.238 0.000) 0.238 15.968 ( 0.000 0.967 0.000) 0.967 16.076 ( 0.000 0.429 0.000) 0.429 16.127 ( 0.000 -2.171 0.000) 2.171 16.287 ( 0.000 -3.069 0.000) 3.069 16.341 ( 0.000 2.034 0.000) 2.034 16.356 ( 0.000 5.104 0.000) 5.104 16.359 ( 0.000 7.638 0.000) 7.638 16.443 ( 0.000 -0.399 0.000) 0.399 16.536 ( 0.000 -5.026 0.000) 5.026 26.821 ( 0.000 -0.878 0.000) 0.878 26.827 ( 0.000 -0.241 0.000) 0.241 26.837 ( 0.000 -0.237 0.000) 0.237 26.842 ( 0.000 -0.797 0.000) 0.797 28.986 ( 0.000 0.574 0.000) 0.574 29.120 ( 0.000 -1.145 0.000) 1.145 29.170 ( 0.000 1.003 0.000) 1.003 29.250 ( 0.000 -3.443 0.000) 3.443 29.533 ( 0.000 -5.784 0.000) 5.784 29.591 ( 0.000 -0.791 0.000) 0.791 29.621 ( 0.000 -5.275 0.000) 5.275 29.881 ( 0.000 8.004 0.000) 8.004 29.988 ( 0.000 6.633 0.000) 6.633 30.320 ( 0.000 -11.105 0.000) 11.105 31.429 ( 0.000 6.087 0.000) 6.087 31.976 ( 0.000 0.178 0.000) 0.178======================= Grid point 15 (10/60) =======================q-point: ( 0.17 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 81Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.103 ( 4.028 23.584 0.000) 23.926 1.187 ( 13.715 20.383 0.000) 24.568 1.895 ( 18.829 12.111 0.000) 22.388 1.979 ( -5.470 6.759 0.000) 8.695 2.054 ( -0.056 -1.138 0.000) 1.140 2.170 ( -0.825 7.408 0.000) 7.454 2.215 ( 6.518 15.901 0.000) 17.185 2.459 ( -1.566 9.046 0.000) 9.181 2.568 ( 0.222 7.253 0.000) 7.256 2.714 ( -0.157 -1.719 0.000) 1.726 2.863 ( 3.622 3.602 0.000) 5.108 2.885 ( 5.609 5.065 0.000) 7.558 2.990 ( -4.082 2.781 0.000) 4.939 3.165 ( 2.379 -3.748 0.000) 4.439 3.181 ( -4.139 -1.807 0.000) 4.516 3.246 ( -3.200 -7.475 0.000) 8.131 3.399 ( 2.888 4.331 0.000) 5.205 3.473 ( -5.614 5.593 0.000) 7.925 3.559 ( 4.587 -1.298 0.000) 4.767 3.609 ( 3.289 2.201 0.000) 3.957 3.706 ( -0.815 5.243 0.000) 5.306 3.807 ( -7.517 2.411 0.000) 7.894 3.874 ( 0.266 7.056 0.000) 7.061 4.057 ( 3.198 -2.890 0.000) 4.310 4.107 ( 4.294 3.530 0.000) 5.559 4.216 ( 4.939 14.045 0.000) 14.888 4.317 ( -1.321 -2.433 0.000) 2.768 4.386 ( -4.397 0.426 0.000) 4.417 4.409 ( -2.647 3.546 0.000) 4.425 4.501 ( -2.684 5.281 0.000) 5.924 4.615 ( 0.464 -2.436 0.000) 2.480 4.625 ( -4.670 -4.534 0.000) 6.509 4.755 ( 3.251 6.433 0.000) 7.208 4.807 ( -1.278 -11.691 0.000) 11.760 4.923 ( 2.830 3.958 0.000) 4.866 5.093 ( 0.383 0.584 0.000) 0.699 5.099 ( -0.994 -1.130 0.000) 1.505 5.132 ( 4.120 0.934 0.000) 4.224 5.160 ( 2.570 0.627 0.000) 2.645 5.258 ( 1.417 8.461 0.000) 8.579 5.339 ( -7.585 1.805 0.000) 7.797 5.391 ( -1.804 1.116 0.000) 2.121 5.470 ( -0.732 5.407 0.000) 5.457 5.571 ( -0.541 2.820 0.000) 2.871 5.579 ( 1.346 -2.087 0.000) 2.484 5.853 ( -11.757 -8.021 0.000) 14.232 5.994 ( 10.785 -7.307 0.000) 13.027 7.021 ( -5.234 -14.941 0.000) 15.831 11.531 ( 3.948 0.018 0.000) 3.948 11.610 ( 1.131 4.246 0.000) 4.394 11.702 ( 3.347 -2.609 0.000) 4.244 11.748 ( -1.254 5.519 0.000) 5.660 11.806 ( 1.175 -0.714 0.000) 1.375 11.941 ( -2.482 0.822 0.000) 2.614 11.983 ( 3.193 3.049 0.000) 4.415 12.310 ( -2.370 -1.783 0.000) 2.966 15.838 ( -3.804 0.555 0.000) 3.844 15.843 ( 0.676 -1.429 0.000) 1.580 15.873 ( 0.002 0.047 0.000) 0.047 16.014 ( 0.223 -0.688 0.000) 0.723 16.053 ( -1.727 0.206 0.000) 1.740 16.098 ( -2.437 -1.849 0.000) 3.059 16.237 ( -2.545 -0.407 0.000) 2.577 16.296 ( -2.728 5.547 0.000) 6.182 16.348 ( 1.086 -0.720 0.000) 1.303 16.424 ( 2.676 5.120 0.000) 5.777 16.526 ( -0.506 -4.034 0.000) 4.065 16.543 ( 5.353 -1.127 0.000) 5.470 26.821 ( -0.264 -0.137 0.000) 0.298 26.821 ( -0.018 -0.745 0.000) 0.746 26.847 ( 0.540 -0.347 0.000) 0.642 26.848 ( 0.423 -0.869 0.000) 0.967 28.990 ( 0.772 0.208 0.000) 0.800 29.113 ( -0.587 -1.277 0.000) 1.405 29.247 ( -0.217 -3.053 0.000) 3.060 29.277 ( 6.994 -2.020 0.000) 7.280 29.456 ( -3.257 -6.217 0.000) 7.019 29.598 ( 0.466 -1.611 0.000) 1.677 29.728 ( 6.482 -3.609 0.000) 7.419 29.919 ( 3.215 9.126 0.000) 9.676 30.040 ( 4.680 3.706 0.000) 5.969 30.379 ( 5.680 -8.273 0.000) 10.035 31.293 ( -12.199 6.329 0.000) 13.743 31.706 ( -20.534 7.487 0.000) 21.856======================= Grid point 16 (11/60) =======================q-point: ( 0.33 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.305 ( 13.084 13.006 0.000) 18.449 1.543 ( 17.711 14.386 0.000) 22.818 1.826 ( -8.541 3.780 0.000) 9.341 2.055 ( 0.223 -0.901 0.000) 0.928 2.077 ( -3.365 3.443 0.000) 4.815 2.213 ( -4.189 6.193 0.000) 7.477 2.334 ( 11.535 6.790 0.000) 13.385 2.552 ( -1.419 8.160 0.000) 8.283 2.561 ( 8.686 8.371 0.000) 12.063 2.716 ( 2.308 3.496 0.000) 4.189 2.897 ( -1.881 3.435 0.000) 3.917 3.002 ( -5.425 5.027 0.000) 7.396 3.016 ( 7.622 11.102 0.000) 13.467 3.090 ( 6.439 5.340 0.000) 8.365 3.203 ( -1.049 -3.975 0.000) 4.111 3.217 ( 2.548 -4.122 0.000) 4.846 3.393 ( -1.492 12.354 0.000) 12.444 3.458 ( -0.976 -1.889 0.000) 2.127 3.596 ( -2.827 6.395 0.000) 6.992 3.618 ( 2.003 6.814 0.000) 7.103 3.706 ( 0.311 1.632 0.000) 1.661 3.755 ( 3.959 -3.707 0.000) 5.423 3.840 ( -3.498 10.327 0.000) 10.903 4.098 ( -14.490 3.473 0.000) 14.900 4.143 ( 3.230 -1.999 0.000) 3.799 4.201 ( 3.029 2.068 0.000) 3.667 4.322 ( -0.532 0.486 0.000) 0.721 4.352 ( 5.748 4.324 0.000) 7.193 4.372 ( -0.984 0.148 0.000) 0.995 4.489 ( -1.999 5.414 0.000) 5.771 4.563 ( 0.292 -1.579 0.000) 1.605 4.603 ( -0.981 3.142 0.000) 3.291 4.791 ( 0.440 -9.155 0.000) 9.165 4.851 ( 5.319 4.251 0.000) 6.809 4.913 ( -3.484 -0.180 0.000) 3.489 5.081 ( -0.951 0.001 0.000) 0.951 5.114 ( 1.334 2.166 0.000) 2.544 5.159 ( -6.626 0.652 0.000) 6.658 5.226 ( 4.596 -1.907 0.000) 4.976 5.236 ( 2.758 -0.418 0.000) 2.789 5.290 ( 1.260 6.065 0.000) 6.194 5.360 ( -0.651 2.951 0.000) 3.022 5.438 ( -2.323 8.202 0.000) 8.525 5.553 ( -6.965 -4.613 0.000) 8.354 5.558 ( -0.322 1.743 0.000) 1.772 5.616 ( -5.474 -3.285 0.000) 6.384 6.269 ( 13.873 -11.169 0.000) 17.811 6.842 ( -10.939 -14.912 0.000) 18.494 11.630 ( 4.479 -0.540 0.000) 4.512 11.644 ( 1.893 2.613 0.000) 3.227 11.733 ( 0.045 4.475 0.000) 4.475 11.791 ( 3.904 1.739 0.000) 4.274 11.830 ( 0.647 2.656 0.000) 2.734 11.869 ( -3.735 2.496 0.000) 4.492 12.040 ( 2.650 0.374 0.000) 2.677 12.234 ( -4.560 -4.063 0.000) 6.108 15.807 ( 0.543 -1.634 0.000) 1.722 15.865 ( 1.176 -1.067 0.000) 1.588 15.866 ( -0.608 -0.008 0.000) 0.608 15.974 ( -3.297 -1.233 0.000) 3.520 16.021 ( -0.872 -0.524 0.000) 1.017 16.049 ( -1.681 -0.698 0.000) 1.820 16.203 ( -0.735 0.531 0.000) 0.907 16.240 ( -2.298 3.709 0.000) 4.363 16.377 ( 1.480 -1.607 0.000) 2.185 16.441 ( -0.994 -0.767 0.000) 1.255 16.549 ( 2.638 1.303 0.000) 2.942 16.615 ( 1.222 -0.041 0.000) 1.223 26.818 ( 0.018 -0.136 0.000) 0.137 26.821 ( -0.021 -0.510 0.000) 0.511 26.857 ( 0.363 -0.896 0.000) 0.966 26.857 ( 0.357 -0.610 0.000) 0.707 29.019 ( 1.769 -0.289 0.000) 1.793 29.094 ( -1.228 -1.269 0.000) 1.766 29.247 ( 0.394 -3.492 0.000) 3.515 29.318 ( -2.262 -5.865 0.000) 6.286 29.493 ( 4.987 -3.535 0.000) 6.113 29.601 ( -0.369 -2.167 0.000) 2.199 29.862 ( 5.554 -1.058 0.000) 5.654 29.978 ( 1.064 7.047 0.000) 7.127 30.210 ( 11.756 1.761 0.000) 11.887 30.568 ( 11.597 -1.717 0.000) 11.723 30.944 ( -18.726 6.515 0.000) 19.827 31.253 ( -19.807 8.861 0.000) 21.699======================= Grid point 17 (12/60) =======================q-point: (-0.50 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 54Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.593 ( -12.337 5.064 0.000) 13.336 1.593 ( 12.337 5.064 0.000) 13.336 1.911 ( -14.126 10.351 0.000) 17.512 1.911 ( 14.126 10.351 0.000) 17.512 2.076 ( -2.596 -0.039 0.000) 2.596 2.076 ( 2.596 -0.039 0.000) 2.596 2.513 ( -2.868 7.884 0.000) 8.389 2.513 ( 2.868 7.884 0.000) 8.389 2.744 ( -10.323 3.171 0.000) 10.799 2.744 ( 10.323 3.171 0.000) 10.799 2.843 ( -7.450 0.310 0.000) 7.457 2.843 ( 7.450 0.310 0.000) 7.457 3.159 ( -2.011 4.566 0.000) 4.989 3.159 ( 2.011 4.566 0.000) 4.989 3.258 ( -2.084 2.875 0.000) 3.551 3.258 ( 2.084 2.875 0.000) 3.551 3.394 ( -1.812 12.247 0.000) 12.380 3.394 ( 1.812 12.247 0.000) 12.380 3.632 ( -7.084 5.455 0.000) 8.941 3.632 ( 7.084 5.455 0.000) 8.941 3.736 ( -5.452 10.585 0.000) 11.907 3.736 ( 5.452 10.585 0.000) 11.907 3.838 ( -5.492 -3.769 0.000) 6.661 3.838 ( 5.492 -3.769 0.000) 6.661 4.201 ( -1.699 -1.342 0.000) 2.165 4.201 ( 1.699 -1.342 0.000) 2.165 4.368 ( -1.395 1.366 0.000) 1.952 4.368 ( 1.395 1.366 0.000) 1.952 4.414 ( -2.319 0.094 0.000) 2.321 4.414 ( 2.319 0.094 0.000) 2.321 4.593 ( -0.651 4.648 0.000) 4.693 4.593 ( 0.651 4.648 0.000) 4.693 4.827 ( -3.202 -4.308 0.000) 5.368 4.827 ( 3.202 -4.308 0.000) 5.368 4.977 ( -6.199 0.581 0.000) 6.226 4.977 ( 6.199 0.581 0.000) 6.226 5.124 ( -0.535 1.185 0.000) 1.300 5.124 ( 0.535 1.185 0.000) 1.300 5.287 ( -1.358 1.510 0.000) 2.031 5.287 ( 1.358 1.510 0.000) 2.031 5.355 ( -6.760 -0.935 0.000) 6.825 5.355 ( 6.760 -0.935 0.000) 6.825 5.386 ( -3.517 5.382 0.000) 6.429 5.386 ( 3.517 5.382 0.000) 6.429 5.569 ( -1.289 -0.364 0.000) 1.339 5.569 ( 1.289 -0.364 0.000) 1.339 6.571 ( -13.652 -13.799 0.000) 19.411 6.571 ( 13.652 -13.799 0.000) 19.411 11.677 ( -0.587 0.245 0.000) 0.636 11.677 ( 0.587 0.245 0.000) 0.636 11.772 ( -3.890 2.924 0.000) 4.866 11.772 ( 3.890 2.924 0.000) 4.866 11.842 ( -0.760 6.584 0.000) 6.628 11.842 ( 0.760 6.584 0.000) 6.628 12.124 ( -5.070 -4.580 0.000) 6.832 12.124 ( 5.070 -4.580 0.000) 6.832 15.837 ( -1.707 -1.852 0.000) 2.519 15.837 ( 1.707 -1.852 0.000) 2.519 15.906 ( -2.566 -0.437 0.000) 2.603 15.906 ( 2.566 -0.437 0.000) 2.603 16.022 ( -0.827 -0.667 0.000) 1.062 16.022 ( 0.827 -0.667 0.000) 1.062 16.204 ( -0.896 1.772 0.000) 1.986 16.204 ( 0.896 1.772 0.000) 1.986 16.410 ( -1.571 -1.898 0.000) 2.464 16.410 ( 1.571 -1.898 0.000) 2.464 16.604 ( -1.904 1.578 0.000) 2.473 16.604 ( 1.904 1.578 0.000) 2.473 26.820 ( -0.074 -0.280 0.000) 0.290 26.820 ( 0.074 -0.280 0.000) 0.290 26.861 ( -0.001 -0.825 0.000) 0.825 26.861 ( 0.001 -0.825 0.000) 0.825 29.060 ( -1.859 -0.778 0.000) 2.015 29.060 ( 1.859 -0.778 0.000) 2.015 29.270 ( -1.759 -5.064 0.000) 5.360 29.270 ( 1.759 -5.064 0.000) 5.360 29.574 ( -2.355 -2.522 0.000) 3.450 29.574 ( 2.355 -2.522 0.000) 3.450 29.956 ( -2.894 2.225 0.000) 3.651 29.956 ( 2.894 2.225 0.000) 3.651 30.538 ( -17.849 4.575 0.000) 18.426 30.538 ( 17.849 4.575 0.000) 18.426 30.867 ( -15.914 4.206 0.000) 16.461 30.867 ( 15.914 4.206 0.000) 16.461======================= Grid point 21 (13/60) =======================q-point: ( 0.00 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.457 ( 0.000 19.418 0.000) 19.418 1.567 ( 0.000 20.300 0.000) 20.300 1.856 ( 0.000 7.728 0.000) 7.728 2.105 ( 0.000 5.984 0.000) 5.984 2.107 ( 0.000 -2.305 0.000) 2.305 2.353 ( 0.000 6.082 0.000) 6.082 2.397 ( 0.000 7.789 0.000) 7.789 2.655 ( 0.000 7.509 0.000) 7.509 2.679 ( 0.000 -2.510 0.000) 2.510 2.710 ( 0.000 9.182 0.000) 9.182 2.780 ( 0.000 -6.409 0.000) 6.409 2.918 ( 0.000 5.888 0.000) 5.888 3.015 ( 0.000 0.348 0.000) 0.348 3.108 ( 0.000 -1.145 0.000) 1.145 3.155 ( 0.000 -2.894 0.000) 2.894 3.191 ( 0.000 -3.720 0.000) 3.720 3.380 ( 0.000 0.961 0.000) 0.961 3.550 ( 0.000 3.500 0.000) 3.500 3.577 ( 0.000 4.949 0.000) 4.949 3.651 ( 0.000 4.248 0.000) 4.248 3.746 ( 0.000 0.808 0.000) 0.808 3.960 ( 0.000 -5.011 0.000) 5.011 3.989 ( 0.000 3.428 0.000) 3.428 4.018 ( 0.000 8.671 0.000) 8.671 4.141 ( 0.000 4.750 0.000) 4.750 4.143 ( 0.000 -8.471 0.000) 8.471 4.360 ( 0.000 -8.731 0.000) 8.731 4.439 ( 0.000 -2.910 0.000) 2.910 4.472 ( 0.000 -0.917 0.000) 0.917 4.509 ( 0.000 5.593 0.000) 5.593 4.550 ( 0.000 -9.825 0.000) 9.825 4.621 ( 0.000 -1.366 0.000) 1.366 4.632 ( 0.000 2.707 0.000) 2.707 4.853 ( 0.000 6.195 0.000) 6.195 5.068 ( 0.000 -5.376 0.000) 5.376 5.082 ( 0.000 9.104 0.000) 9.104 5.088 ( 0.000 -1.314 0.000) 1.314 5.156 ( 0.000 4.758 0.000) 4.758 5.203 ( 0.000 9.369 0.000) 9.369 5.431 ( 0.000 9.671 0.000) 9.671 5.477 ( 0.000 6.085 0.000) 6.085 5.489 ( 0.000 -3.447 0.000) 3.447 5.502 ( 0.000 3.234 0.000) 3.234 5.546 ( 0.000 4.207 0.000) 4.207 5.654 ( 0.000 3.966 0.000) 3.966 5.802 ( 0.000 -1.490 0.000) 1.490 5.814 ( 0.000 -7.921 0.000) 7.921 6.732 ( 0.000 -20.097 0.000) 20.097 11.494 ( 0.000 0.929 0.000) 0.929 11.609 ( 0.000 -2.701 0.000) 2.701 11.649 ( 0.000 0.511 0.000) 0.511 11.732 ( 0.000 -3.213 0.000) 3.213 11.880 ( 0.000 4.943 0.000) 4.943 11.982 ( 0.000 1.928 0.000) 1.928 12.036 ( 0.000 6.031 0.000) 6.031 12.315 ( 0.000 -1.587 0.000) 1.587 15.820 ( 0.000 0.104 0.000) 0.104 15.868 ( 0.000 -0.472 0.000) 0.472 15.952 ( 0.000 1.232 0.000) 1.232 15.996 ( 0.000 1.786 0.000) 1.786 16.089 ( 0.000 -1.572 0.000) 1.572 16.112 ( 0.000 3.243 0.000) 3.243 16.219 ( 0.000 -3.735 0.000) 3.735 16.372 ( 0.000 1.126 0.000) 1.126 16.423 ( 0.000 -5.513 0.000) 5.513 16.430 ( 0.000 -0.959 0.000) 0.959 16.449 ( 0.000 4.212 0.000) 4.212 16.484 ( 0.000 4.035 0.000) 4.035 26.807 ( 0.000 -0.535 0.000) 0.535 26.825 ( 0.000 -0.006 0.000) 0.006 26.825 ( 0.000 -0.880 0.000) 0.880 26.833 ( 0.000 -0.213 0.000) 0.213 29.012 ( 0.000 2.329 0.000) 2.329 29.101 ( 0.000 -0.643 0.000) 0.643 29.182 ( 0.000 -3.307 0.000) 3.307 29.204 ( 0.000 2.425 0.000) 2.425 29.388 ( 0.000 -8.318 0.000) 8.318 29.506 ( 0.000 -6.188 0.000) 6.188 29.607 ( 0.000 2.522 0.000) 2.522 30.019 ( 0.000 2.986 0.000) 2.986 30.099 ( 0.000 -8.364 0.000) 8.364 30.101 ( 0.000 4.593 0.000) 4.593 31.582 ( 0.000 8.932 0.000) 8.932 31.961 ( 0.000 -1.976 0.000) 1.976======================= Grid point 22 (14/60) =======================q-point: ( 0.17 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 81Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.551 ( 0.595 21.118 0.000) 21.127 1.557 ( 8.679 16.107 0.000) 18.296 2.011 ( -6.554 -1.701 0.000) 6.771 2.045 ( 13.180 4.997 0.000) 14.095 2.105 ( -0.629 5.942 0.000) 5.975 2.281 ( -3.038 6.179 0.000) 6.885 2.433 ( 0.781 6.822 0.000) 6.867 2.641 ( -2.734 1.083 0.000) 2.940 2.672 ( 1.033 -1.844 0.000) 2.114 2.716 ( 0.181 5.668 0.000) 5.671 2.853 ( 5.269 -2.379 0.000) 5.781 3.004 ( 5.593 2.313 0.000) 6.053 3.074 ( 5.959 5.213 0.000) 7.918 3.133 ( 1.639 0.195 0.000) 1.651 3.140 ( -0.971 -3.372 0.000) 3.509 3.192 ( 1.669 5.971 0.000) 6.200 3.421 ( 2.254 -0.837 0.000) 2.404 3.550 ( -2.260 5.294 0.000) 5.756 3.558 ( 0.837 -0.094 0.000) 0.842 3.642 ( 1.689 2.124 0.000) 2.713 3.814 ( 2.440 4.222 0.000) 4.876 3.829 ( -6.869 -0.543 0.000) 6.890 3.987 ( -1.511 6.791 0.000) 6.957 4.036 ( 3.757 1.497 0.000) 4.044 4.181 ( 3.181 3.737 0.000) 4.907 4.217 ( 2.126 -6.171 0.000) 6.526 4.370 ( -0.737 -3.137 0.000) 3.222 4.414 ( -1.308 -4.580 0.000) 4.763 4.470 ( -0.031 5.039 0.000) 5.039 4.506 ( 0.770 -4.730 0.000) 4.792 4.516 ( -2.085 -6.321 0.000) 6.655 4.584 ( -3.087 -3.477 0.000) 4.650 4.643 ( 0.465 4.328 0.000) 4.353 4.889 ( 2.810 5.798 0.000) 6.443 5.040 ( 0.930 -4.340 0.000) 4.438 5.062 ( -2.131 8.129 0.000) 8.404 5.118 ( -0.834 2.860 0.000) 2.979 5.145 ( 1.823 -2.010 0.000) 2.713 5.250 ( 1.499 9.279 0.000) 9.399 5.383 ( -7.774 2.737 0.000) 8.242 5.434 ( -0.205 8.410 0.000) 8.413 5.463 ( -0.601 6.237 0.000) 6.266 5.515 ( 1.415 -3.076 0.000) 3.386 5.584 ( 1.102 5.784 0.000) 5.888 5.644 ( -0.616 4.451 0.000) 4.493 5.689 ( -9.668 -7.526 0.000) 12.252 5.880 ( 6.616 -4.168 0.000) 7.820 6.688 ( -4.487 -19.038 0.000) 19.560 11.537 ( 3.602 0.625 0.000) 3.656 11.646 ( 3.298 -2.870 0.000) 4.372 11.650 ( 0.352 0.494 0.000) 0.607 11.766 ( 2.560 -3.259 0.000) 4.144 11.862 ( -0.651 5.799 0.000) 5.835 12.017 ( -1.592 6.355 0.000) 6.551 12.027 ( 2.654 1.129 0.000) 2.884 12.279 ( -3.243 -1.572 0.000) 3.604 15.831 ( 0.973 0.163 0.000) 0.986 15.873 ( 0.333 -0.225 0.000) 0.401 15.874 ( -4.239 2.775 0.000) 5.066 16.005 ( -1.220 -0.405 0.000) 1.285 16.070 ( -1.257 -0.710 0.000) 1.443 16.084 ( -2.392 2.932 0.000) 3.784 16.200 ( -1.202 -3.013 0.000) 3.243 16.356 ( 0.177 1.411 0.000) 1.422 16.357 ( -4.069 -1.575 0.000) 4.363 16.455 ( -0.713 1.091 0.000) 1.304 16.511 ( 4.733 -2.206 0.000) 5.222 16.521 ( 2.712 2.500 0.000) 3.689 26.809 ( 0.165 -0.437 0.000) 0.468 26.820 ( -0.172 0.134 0.000) 0.219 26.830 ( 0.372 -0.903 0.000) 0.977 26.840 ( 0.391 -0.360 0.000) 0.532 29.008 ( 0.087 1.731 0.000) 1.733 29.094 ( -0.592 -0.535 0.000) 0.798 29.185 ( 0.140 -3.166 0.000) 3.169 29.256 ( 0.962 -1.764 0.000) 2.009 29.342 ( 1.223 -3.640 0.000) 3.840 29.597 ( -0.707 1.722 0.000) 1.862 29.617 ( 7.165 -7.087 0.000) 10.078 29.991 ( -2.325 -6.415 0.000) 6.823 30.112 ( 6.393 7.207 0.000) 9.634 30.285 ( 11.146 -0.646 0.000) 11.164 31.448 ( -11.968 9.003 0.000) 14.976 31.781 ( -15.332 0.678 0.000) 15.347======================= Grid point 23 (15/60) =======================q-point: ( 0.33 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.610 ( 4.394 16.723 0.000) 17.290 1.795 ( 11.965 8.849 0.000) 14.882 1.863 ( -6.190 0.517 0.000) 6.212 2.099 ( 0.262 7.188 0.000) 7.193 2.133 ( -2.797 1.686 0.000) 3.266 2.335 ( -6.642 6.412 0.000) 9.232 2.476 ( 13.983 7.467 0.000) 15.852 2.637 ( 3.432 1.608 0.000) 3.790 2.706 ( -1.034 4.463 0.000) 4.581 2.708 ( 2.401 -4.141 0.000) 4.786 2.929 ( -1.636 -1.214 0.000) 2.037 2.989 ( -4.227 3.409 0.000) 5.430 3.141 ( 0.725 -2.708 0.000) 2.804 3.157 ( 1.114 -1.024 0.000) 1.513 3.228 ( 5.181 3.531 0.000) 6.270 3.322 ( 2.442 5.702 0.000) 6.203 3.428 ( 5.025 4.251 0.000) 6.582 3.574 ( 6.405 8.202 0.000) 10.407 3.610 ( 3.559 -5.190 0.000) 6.293 3.681 ( 1.152 -1.978 0.000) 2.289 3.777 ( 1.775 3.168 0.000) 3.632 3.794 ( -3.802 11.586 0.000) 12.194 3.964 ( -1.646 4.480 0.000) 4.773 4.098 ( -3.377 0.369 0.000) 3.397 4.185 ( 0.325 4.039 0.000) 4.052 4.262 ( 3.361 2.751 0.000) 4.343 4.318 ( -2.170 0.273 0.000) 2.187 4.390 ( -1.875 1.288 0.000) 2.275 4.455 ( -1.443 2.577 0.000) 2.954 4.485 ( -2.689 -3.670 0.000) 4.550 4.534 ( 1.643 -13.604 0.000) 13.703 4.565 ( 3.465 -7.446 0.000) 8.213 4.663 ( 1.844 7.079 0.000) 7.315 4.959 ( 3.717 4.401 0.000) 5.761 4.972 ( -8.025 6.462 0.000) 10.303 5.110 ( 0.289 2.864 0.000) 2.878 5.123 ( 5.567 -1.735 0.000) 5.831 5.156 ( 0.241 -3.278 0.000) 3.287 5.187 ( -7.931 2.353 0.000) 8.273 5.274 ( 0.828 4.629 0.000) 4.703 5.396 ( -2.851 5.034 0.000) 5.785 5.462 ( -7.822 -4.429 0.000) 8.989 5.479 ( 1.434 6.639 0.000) 6.792 5.549 ( -1.629 -2.090 0.000) 2.650 5.602 ( 1.203 7.538 0.000) 7.633 5.632 ( -0.413 5.614 0.000) 5.629 6.064 ( 10.050 -9.258 0.000) 13.665 6.532 ( -9.558 -16.559 0.000) 19.120 11.622 ( 3.642 -0.007 0.000) 3.642 11.666 ( 0.940 0.478 0.000) 1.055 11.735 ( 3.997 -2.856 0.000) 4.913 11.812 ( 0.949 -3.165 0.000) 3.304 11.879 ( 2.731 6.203 0.000) 6.778 11.984 ( -0.963 6.860 0.000) 6.928 12.062 ( 0.441 0.945 0.000) 1.043 12.181 ( -5.576 -1.371 0.000) 5.742 15.817 ( -0.729 2.316 0.000) 2.428 15.854 ( 0.628 0.232 0.000) 0.670 15.877 ( 0.168 0.562 0.000) 0.586 15.952 ( -2.834 -1.015 0.000) 3.010 16.030 ( -1.891 1.703 0.000) 2.546 16.044 ( -1.305 0.170 0.000) 1.316 16.184 ( -0.151 -2.573 0.000) 2.577 16.267 ( -3.924 -2.032 0.000) 4.419 16.375 ( 1.313 1.730 0.000) 2.172 16.433 ( -1.190 1.794 0.000) 2.153 16.577 ( 2.243 0.489 0.000) 2.296 16.590 ( 2.297 -2.487 0.000) 3.386 26.813 ( 0.212 -0.215 0.000) 0.302 26.818 ( -0.051 0.171 0.000) 0.178 26.839 ( 0.410 -0.889 0.000) 0.978 26.846 ( 0.132 -0.548 0.000) 0.564 29.023 ( 1.200 0.806 0.000) 1.445 29.077 ( -0.971 -0.303 0.000) 1.017 29.184 ( -0.174 -3.068 0.000) 3.073 29.215 ( -2.162 -4.914 0.000) 5.368 29.452 ( 5.612 -0.177 0.000) 5.614 29.581 ( -0.944 0.549 0.000) 1.092 29.769 ( 6.497 -7.380 0.000) 9.833 29.949 ( -2.015 -7.948 0.000) 8.200 30.328 ( 13.494 8.972 0.000) 16.204 30.574 ( 15.437 1.069 0.000) 15.474 31.102 ( -18.891 9.203 0.000) 21.014 31.377 ( -20.389 3.300 0.000) 20.654======================= Grid point 24 (16/60) =======================q-point: (-0.50 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 54Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.723 ( -5.825 7.698 0.000) 9.653 1.723 ( 5.825 7.698 0.000) 9.653 2.048 ( -7.636 -1.896 0.000) 7.868 2.048 ( 7.636 -1.896 0.000) 7.868 2.145 ( -6.279 12.273 0.000) 13.786 2.145 ( 6.279 12.273 0.000) 13.786 2.670 ( -2.918 5.836 0.000) 6.524 2.670 ( 2.918 5.836 0.000) 6.524 2.791 ( -7.156 -2.243 0.000) 7.499 2.791 ( 7.156 -2.243 0.000) 7.499 2.838 ( -11.143 5.152 0.000) 12.276 2.838 ( 11.143 5.152 0.000) 12.276 3.164 ( -0.824 -1.387 0.000) 1.613 3.164 ( 0.824 -1.387 0.000) 1.613 3.283 ( -1.665 -2.421 0.000) 2.939 3.283 ( 1.665 -2.421 0.000) 2.939 3.638 ( -8.732 9.251 0.000) 12.722 3.638 ( 8.732 9.251 0.000) 12.722 3.674 ( -1.822 -4.600 0.000) 4.948 3.674 ( 1.822 -4.600 0.000) 4.948 3.797 ( -5.766 4.201 0.000) 7.134 3.797 ( 5.766 4.201 0.000) 7.134 3.931 ( -2.911 10.214 0.000) 10.621 3.931 ( 2.911 10.214 0.000) 10.621 4.243 ( -2.284 5.048 0.000) 5.541 4.243 ( 2.284 5.048 0.000) 5.541 4.372 ( -2.611 -2.392 0.000) 3.541 4.372 ( 2.611 -2.392 0.000) 3.541 4.417 ( -0.238 0.758 0.000) 0.794 4.417 ( 0.238 0.758 0.000) 0.794 4.602 ( -1.188 -11.252 0.000) 11.314 4.602 ( 1.188 -11.252 0.000) 11.314 4.757 ( -8.450 6.418 0.000) 10.611 4.757 ( 8.450 6.418 0.000) 10.611 5.051 ( -4.730 4.745 0.000) 6.700 5.051 ( 4.730 4.745 0.000) 6.700 5.133 ( -0.814 -0.364 0.000) 0.892 5.133 ( 0.814 -0.364 0.000) 0.892 5.280 ( -5.652 -4.142 0.000) 7.007 5.280 ( 5.652 -4.142 0.000) 7.007 5.333 ( -1.102 3.652 0.000) 3.814 5.333 ( 1.102 3.652 0.000) 3.814 5.512 ( -1.630 3.542 0.000) 3.899 5.512 ( 1.630 3.542 0.000) 3.899 5.624 ( -0.568 6.610 0.000) 6.634 5.624 ( 0.568 6.610 0.000) 6.634 6.300 ( -11.363 -13.467 0.000) 17.620 6.300 ( 11.363 -13.467 0.000) 17.620 11.673 ( -0.818 -0.027 0.000) 0.819 11.673 ( 0.818 -0.027 0.000) 0.819 11.795 ( -1.980 -1.444 0.000) 2.451 11.795 ( 1.980 -1.444 0.000) 2.451 11.963 ( -2.811 5.443 0.000) 6.126 11.963 ( 2.811 5.443 0.000) 6.126 12.074 ( -2.542 -0.229 0.000) 2.552 12.074 ( 2.542 -0.229 0.000) 2.552 15.833 ( -1.675 1.322 0.000) 2.134 15.833 ( 1.675 1.322 0.000) 2.134 15.902 ( -1.813 -0.092 0.000) 1.815 15.902 ( 1.813 -0.092 0.000) 1.815 16.019 ( -0.678 0.498 0.000) 0.841 16.019 ( 0.678 0.498 0.000) 0.841 16.201 ( -1.916 -2.502 0.000) 3.151 16.201 ( 1.916 -2.502 0.000) 3.151 16.405 ( -1.370 2.001 0.000) 2.425 16.405 ( 1.370 2.001 0.000) 2.425 16.609 ( -0.492 -1.284 0.000) 1.375 16.609 ( 0.492 -1.284 0.000) 1.375 26.817 ( -0.125 0.025 0.000) 0.127 26.817 ( 0.125 0.025 0.000) 0.127 26.845 ( -0.174 -0.756 0.000) 0.776 26.845 ( 0.174 -0.756 0.000) 0.776 29.052 ( -1.344 0.120 0.000) 1.349 29.052 ( 1.344 0.120 0.000) 1.349 29.186 ( -0.568 -3.756 0.000) 3.799 29.186 ( 0.568 -3.756 0.000) 3.799 29.544 ( -2.793 -0.041 0.000) 2.793 29.544 ( 2.793 -0.041 0.000) 2.793 29.885 ( -4.107 -7.777 0.000) 8.795 29.885 ( 4.107 -7.777 0.000) 8.795 30.683 ( -18.812 9.303 0.000) 20.987 30.683 ( 18.812 9.303 0.000) 20.987 30.946 ( -18.899 2.749 0.000) 19.097 30.946 ( 18.899 2.749 0.000) 19.097======================= Grid point 28 (17/60) =======================q-point: ( 0.00 0.44 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.775 ( 0.000 13.193 0.000) 13.193 1.871 ( 0.000 10.035 0.000) 10.035 1.953 ( 0.000 1.244 0.000) 1.244 1.990 ( 0.000 -8.791 0.000) 8.791 2.297 ( 0.000 13.032 0.000) 13.032 2.480 ( 0.000 6.688 0.000) 6.688 2.515 ( 0.000 4.985 0.000) 4.985 2.571 ( 0.000 -13.651 0.000) 13.651 2.620 ( 0.000 -3.438 0.000) 3.438 2.629 ( 0.000 -5.822 0.000) 5.822 2.899 ( 0.000 9.061 0.000) 9.061 2.985 ( 0.000 0.871 0.000) 0.871 3.049 ( 0.000 0.543 0.000) 0.543 3.068 ( 0.000 -2.050 0.000) 2.050 3.120 ( 0.000 -2.764 0.000) 2.764 3.126 ( 0.000 -2.531 0.000) 2.531 3.465 ( 0.000 7.638 0.000) 7.638 3.580 ( 0.000 -1.574 0.000) 1.574 3.675 ( 0.000 4.032 0.000) 4.032 3.735 ( 0.000 -1.932 0.000) 1.932 3.855 ( 0.000 14.866 0.000) 14.866 3.865 ( 0.000 -3.500 0.000) 3.500 3.891 ( 0.000 -7.119 0.000) 7.119 4.133 ( 0.000 -12.826 0.000) 12.826 4.160 ( 0.000 5.665 0.000) 5.665 4.180 ( 0.000 6.764 0.000) 6.764 4.222 ( 0.000 2.327 0.000) 2.327 4.286 ( 0.000 -7.858 0.000) 7.858 4.450 ( 0.000 -0.364 0.000) 0.364 4.501 ( 0.000 -4.487 0.000) 4.487 4.510 ( 0.000 1.525 0.000) 1.525 4.559 ( 0.000 -3.191 0.000) 3.191 4.742 ( 0.000 7.053 0.000) 7.053 4.901 ( 0.000 -7.893 0.000) 7.893 4.973 ( 0.000 3.623 0.000) 3.623 5.045 ( 0.000 -2.999 0.000) 2.999 5.188 ( 0.000 4.620 0.000) 4.620 5.284 ( 0.000 -3.657 0.000) 3.657 5.312 ( 0.000 8.004 0.000) 8.004 5.429 ( 0.000 -3.674 0.000) 3.674 5.575 ( 0.000 4.058 0.000) 4.058 5.577 ( 0.000 4.169 0.000) 4.169 5.582 ( 0.000 3.119 0.000) 3.119 5.650 ( 0.000 -1.754 0.000) 1.754 5.729 ( 0.000 3.486 0.000) 3.486 5.779 ( 0.000 -1.483 0.000) 1.483 5.837 ( 0.000 18.850 0.000) 18.850 6.294 ( 0.000 -24.006 0.000) 24.006 11.520 ( 0.000 1.698 0.000) 1.698 11.559 ( 0.000 -2.307 0.000) 2.307 11.651 ( 0.000 0.382 0.000) 0.382 11.676 ( 0.000 -2.200 0.000) 2.200 11.961 ( 0.000 3.085 0.000) 3.085 11.997 ( 0.000 -0.536 0.000) 0.536 12.165 ( 0.000 6.226 0.000) 6.226 12.264 ( 0.000 -3.769 0.000) 3.769 15.832 ( 0.000 1.008 0.000) 1.008 15.853 ( 0.000 -1.011 0.000) 1.011 15.984 ( 0.000 1.889 0.000) 1.889 16.015 ( 0.000 -0.694 0.000) 0.694 16.084 ( 0.000 1.861 0.000) 1.861 16.145 ( 0.000 -3.707 0.000) 3.707 16.197 ( 0.000 5.155 0.000) 5.155 16.307 ( 0.000 -5.936 0.000) 5.936 16.390 ( 0.000 0.871 0.000) 0.871 16.409 ( 0.000 -1.064 0.000) 1.064 16.515 ( 0.000 2.315 0.000) 2.315 16.532 ( 0.000 0.692 0.000) 0.692 26.802 ( 0.000 0.093 0.000) 0.093 26.810 ( 0.000 -0.637 0.000) 0.637 26.826 ( 0.000 0.133 0.000) 0.133 26.829 ( 0.000 -0.172 0.000) 0.172 29.083 ( 0.000 5.022 0.000) 5.022 29.100 ( 0.000 0.616 0.000) 0.616 29.127 ( 0.000 -2.163 0.000) 2.163 29.204 ( 0.000 -6.207 0.000) 6.207 29.293 ( 0.000 2.844 0.000) 2.844 29.387 ( 0.000 -5.739 0.000) 5.739 29.694 ( 0.000 6.418 0.000) 6.418 29.857 ( 0.000 -9.934 0.000) 9.934 30.138 ( 0.000 3.024 0.000) 3.024 30.158 ( 0.000 1.028 0.000) 1.028 31.756 ( 0.000 8.251 0.000) 8.251 31.891 ( 0.000 -5.266 0.000) 5.266======================= Grid point 29 (18/60) =======================q-point: ( 0.17 0.44 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 81Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.796 ( 1.992 8.827 0.000) 9.049 1.901 ( 2.394 13.848 0.000) 14.053 1.936 ( -3.835 -5.739 0.000) 6.902 2.072 ( 7.621 -3.271 0.000) 8.293 2.307 ( 0.880 14.004 0.000) 14.032 2.422 ( -1.277 7.863 0.000) 7.966 2.545 ( 0.060 4.443 0.000) 4.444 2.573 ( -0.748 -6.926 0.000) 6.967 2.593 ( 1.308 -13.627 0.000) 13.690 2.607 ( -2.048 -2.612 0.000) 3.319 2.935 ( 3.102 6.551 0.000) 7.249 3.027 ( 3.030 -2.074 0.000) 3.672 3.101 ( 3.145 -0.015 0.000) 3.145 3.114 ( 1.578 4.317 0.000) 4.597 3.125 ( 4.330 -2.050 0.000) 4.790 3.243 ( 6.610 -4.840 0.000) 8.193 3.467 ( 0.214 5.755 0.000) 5.759 3.540 ( -3.207 -1.732 0.000) 3.645 3.664 ( -1.032 3.425 0.000) 3.577 3.691 ( -1.521 1.264 0.000) 1.977 3.842 ( 0.661 3.917 0.000) 3.973 3.942 ( 5.310 10.810 0.000) 12.044 3.987 ( 6.316 -8.237 0.000) 10.380 4.114 ( -0.485 0.713 0.000) 0.862 4.174 ( 1.581 2.330 0.000) 2.816 4.215 ( 1.606 -0.410 0.000) 1.657 4.254 ( -2.335 -6.649 0.000) 7.047 4.270 ( 3.991 -2.934 0.000) 4.953 4.423 ( -2.273 -0.225 0.000) 2.284 4.483 ( -1.556 -4.172 0.000) 4.453 4.487 ( -1.889 0.931 0.000) 2.106 4.523 ( -3.261 -2.573 0.000) 4.154 4.758 ( 1.480 6.683 0.000) 6.845 4.898 ( 0.625 -6.579 0.000) 6.609 5.013 ( 3.354 3.618 0.000) 4.933 5.084 ( 2.404 -3.429 0.000) 4.187 5.173 ( -1.295 3.220 0.000) 3.471 5.195 ( -3.923 2.785 0.000) 4.812 5.378 ( 1.390 2.685 0.000) 3.024 5.441 ( 1.069 -3.056 0.000) 3.237 5.468 ( -7.653 4.263 0.000) 8.760 5.553 ( -2.150 3.618 0.000) 4.209 5.559 ( -8.624 -4.954 0.000) 9.945 5.567 ( -0.900 2.564 0.000) 2.717 5.738 ( 0.918 4.787 0.000) 4.875 5.815 ( 3.121 -3.085 0.000) 4.389 5.844 ( 0.597 20.056 0.000) 20.065 6.278 ( -2.069 -22.343 0.000) 22.439 11.557 ( 3.149 1.461 0.000) 3.472 11.594 ( 3.045 -2.301 0.000) 3.816 11.661 ( 0.934 1.075 0.000) 1.424 11.700 ( 1.872 -2.932 0.000) 3.479 11.963 ( 0.541 4.247 0.000) 4.282 12.022 ( 1.753 -1.643 0.000) 2.403 12.145 ( -1.746 5.867 0.000) 6.121 12.235 ( -2.639 -3.271 0.000) 4.203 15.843 ( 0.937 0.933 0.000) 1.323 15.862 ( 0.726 -0.848 0.000) 1.117 15.934 ( -3.389 3.041 0.000) 4.554 15.984 ( -2.659 -1.909 0.000) 3.273 16.081 ( -0.509 1.832 0.000) 1.902 16.135 ( -0.794 -3.361 0.000) 3.453 16.164 ( -2.863 4.972 0.000) 5.737 16.269 ( -3.234 -5.515 0.000) 6.393 16.398 ( 1.317 2.779 0.000) 3.075 16.458 ( 3.217 -3.093 0.000) 4.463 16.509 ( -0.442 2.813 0.000) 2.848 16.543 ( 0.784 -0.403 0.000) 0.882 26.806 ( 0.295 0.148 0.000) 0.330 26.814 ( 0.353 -0.658 0.000) 0.746 26.825 ( -0.013 0.337 0.000) 0.337 26.833 ( 0.199 -0.384 0.000) 0.432 29.064 ( -1.021 4.015 0.000) 4.143 29.097 ( -0.287 0.876 0.000) 0.922 29.129 ( 0.091 -2.363 0.000) 2.364 29.163 ( -2.520 -5.828 0.000) 6.349 29.364 ( 5.699 4.206 0.000) 7.083 29.475 ( 6.342 -6.806 0.000) 9.303 29.671 ( -1.696 5.810 0.000) 6.053 29.819 ( -2.413 -8.997 0.000) 9.315 30.234 ( 8.505 4.564 0.000) 9.652 30.285 ( 10.343 -0.758 0.000) 10.371 31.620 ( -12.042 7.996 0.000) 14.455 31.744 ( -12.920 -4.274 0.000) 13.608======================= Grid point 30 (19/60) =======================q-point: ( 0.33 0.44 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.865 ( 2.936 0.676 0.000) 3.013 1.873 ( 0.010 0.176 0.000) 0.176 1.917 ( -1.391 13.536 0.000) 13.607 2.107 ( -4.110 -5.271 0.000) 6.684 2.336 ( 1.920 14.676 0.000) 14.801 2.461 ( -2.191 6.281 0.000) 6.652 2.584 ( 2.457 -4.660 0.000) 5.268 2.607 ( -0.021 -11.643 0.000) 11.643 2.610 ( 10.346 3.327 0.000) 10.868 2.661 ( 8.472 -0.086 0.000) 8.472 3.008 ( 1.638 5.309 0.000) 5.556 3.079 ( -0.675 -0.886 0.000) 1.114 3.106 ( -1.251 5.956 0.000) 6.086 3.149 ( 1.064 0.410 0.000) 1.140 3.191 ( 1.080 -3.872 0.000) 4.020 3.264 ( -5.787 -6.747 0.000) 8.889 3.519 ( 3.142 -0.660 0.000) 3.211 3.538 ( 6.046 -0.813 0.000) 6.100 3.653 ( -0.552 1.050 0.000) 1.187 3.674 ( -0.303 -0.487 0.000) 0.573 3.908 ( 4.942 12.175 0.000) 13.140 4.031 ( 2.349 12.040 0.000) 12.267 4.111 ( -0.014 8.147 0.000) 8.147 4.122 ( 4.155 -0.527 0.000) 4.188 4.227 ( 1.813 -7.561 0.000) 7.776 4.234 ( 3.226 -5.247 0.000) 6.159 4.249 ( 1.438 -3.381 0.000) 3.674 4.334 ( 0.811 -6.776 0.000) 6.825 4.371 ( -1.807 0.096 0.000) 1.810 4.426 ( -4.708 0.784 0.000) 4.773 4.444 ( -2.081 -0.776 0.000) 2.221 4.453 ( -0.780 -4.319 0.000) 4.389 4.806 ( 3.165 7.502 0.000) 8.143 4.948 ( 4.088 -5.968 0.000) 7.234 5.098 ( 3.812 1.340 0.000) 4.041 5.101 ( -5.758 5.073 0.000) 7.674 5.127 ( 2.107 -1.097 0.000) 2.375 5.148 ( -2.277 0.186 0.000) 2.285 5.255 ( -7.989 4.400 0.000) 9.121 5.333 ( -7.950 -1.973 0.000) 8.191 5.415 ( -1.009 1.717 0.000) 1.992 5.481 ( 1.695 -3.906 0.000) 4.258 5.494 ( -3.130 4.408 0.000) 5.406 5.545 ( -1.201 -0.157 0.000) 1.212 5.768 ( 1.742 7.424 0.000) 7.625 5.842 ( -0.926 16.296 0.000) 16.322 5.907 ( 5.406 -7.071 0.000) 8.901 6.191 ( -5.858 -18.125 0.000) 19.049 11.634 ( 3.487 1.356 0.000) 3.742 11.675 ( 3.917 -2.742 0.000) 4.781 11.685 ( 1.051 1.775 0.000) 2.063 11.739 ( 1.301 -3.602 0.000) 3.830 11.990 ( 1.995 4.730 0.000) 5.133 12.055 ( 1.155 -1.804 0.000) 2.142 12.099 ( -2.213 4.501 0.000) 5.015 12.158 ( -4.197 -1.662 0.000) 4.514 15.866 ( 0.909 0.813 0.000) 1.219 15.876 ( -1.474 3.162 0.000) 3.488 15.879 ( 0.745 -0.383 0.000) 0.838 15.927 ( -2.174 -1.837 0.000) 2.846 16.062 ( -1.023 1.905 0.000) 2.162 16.091 ( -3.220 4.324 0.000) 5.391 16.118 ( -0.491 -3.551 0.000) 3.585 16.187 ( -3.825 -5.051 0.000) 6.336 16.437 ( 1.946 4.130 0.000) 4.566 16.497 ( -0.760 3.738 0.000) 3.814 16.522 ( 2.437 -4.232 0.000) 4.884 16.559 ( 0.491 -2.264 0.000) 2.317 26.814 ( 0.394 0.274 0.000) 0.480 26.823 ( 0.453 -0.676 0.000) 0.813 26.825 ( -0.076 0.452 0.000) 0.458 26.835 ( -0.015 -0.555 0.000) 0.556 29.056 ( 0.284 2.603 0.000) 2.619 29.087 ( -0.660 1.307 0.000) 1.464 29.124 ( -0.959 -4.226 0.000) 4.333 29.127 ( -0.350 -2.644 0.000) 2.667 29.493 ( 5.520 4.330 0.000) 7.015 29.614 ( 5.900 -7.606 0.000) 9.626 29.635 ( -1.668 5.040 0.000) 5.309 29.773 ( -2.027 -8.672 0.000) 8.906 30.487 ( 14.647 6.484 0.000) 16.018 30.570 ( 15.709 -1.996 0.000) 15.835 31.274 ( -18.860 7.622 0.000) 20.342 31.381 ( -19.442 -2.840 0.000) 19.649======================= Grid point 31 (20/60) =======================q-point: (-0.50 0.44 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 54Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.873 ( -1.676 7.057 0.000) 7.254 1.873 ( 1.676 7.057 0.000) 7.254 1.986 ( -6.102 -4.357 0.000) 7.498 1.986 ( 6.102 -4.357 0.000) 7.498 2.391 ( -3.094 12.102 0.000) 12.492 2.391 ( 3.094 12.102 0.000) 12.492 2.601 ( -0.417 -8.939 0.000) 8.949 2.601 ( 0.417 -8.939 0.000) 8.949 2.869 ( -11.102 6.483 0.000) 12.856 2.869 ( 11.102 6.483 0.000) 12.856 2.931 ( -12.745 1.896 0.000) 12.885 2.931 ( 12.745 1.896 0.000) 12.885 3.144 ( -1.616 -0.290 0.000) 1.642 3.144 ( 1.616 -0.290 0.000) 1.642 3.186 ( -0.286 -5.172 0.000) 5.180 3.186 ( 0.286 -5.172 0.000) 5.180 3.604 ( -3.710 -0.342 0.000) 3.726 3.604 ( 3.710 -0.342 0.000) 3.726 3.651 ( -3.073 -3.949 0.000) 5.004 3.651 ( 3.073 -3.949 0.000) 5.004 4.015 ( -3.836 14.444 0.000) 14.945 4.015 ( 3.836 14.444 0.000) 14.945 4.129 ( -1.532 9.044 0.000) 9.173 4.129 ( 1.532 9.044 0.000) 9.173 4.275 ( -0.591 -7.998 0.000) 8.019 4.275 ( 0.591 -7.998 0.000) 8.019 4.304 ( -2.848 -9.482 0.000) 9.901 4.304 ( 2.848 -9.482 0.000) 9.901 4.362 ( -0.570 2.381 0.000) 2.448 4.362 ( 0.570 2.381 0.000) 2.448 4.432 ( -1.142 -2.854 0.000) 3.074 4.432 ( 1.142 -2.854 0.000) 3.074 4.920 ( -7.985 8.573 0.000) 11.716 4.920 ( 7.985 8.573 0.000) 11.716 5.064 ( -5.796 -5.308 0.000) 7.859 5.064 ( 5.796 -5.308 0.000) 7.859 5.148 ( -2.485 3.353 0.000) 4.174 5.148 ( 2.485 3.353 0.000) 4.174 5.209 ( -4.257 -2.824 0.000) 5.108 5.209 ( 4.257 -2.824 0.000) 5.109 5.430 ( -2.232 5.344 0.000) 5.792 5.430 ( 2.232 5.344 0.000) 5.792 5.514 ( -1.523 -2.622 0.000) 3.032 5.514 ( 1.523 -2.622 0.000) 3.032 5.809 ( -1.909 11.278 0.000) 11.438 5.809 ( 1.909 11.278 0.000) 11.438 6.045 ( -7.054 -12.533 0.000) 14.381 6.045 ( 7.054 -12.533 0.000) 14.381 11.688 ( -1.156 1.683 0.000) 2.042 11.688 ( 1.156 1.683 0.000) 2.042 11.739 ( -1.572 -3.272 0.000) 3.631 11.739 ( 1.572 -3.272 0.000) 3.631 12.049 ( -2.999 3.100 0.000) 4.314 12.049 ( 2.999 3.100 0.000) 4.314 12.081 ( -1.935 -0.180 0.000) 1.943 12.081 ( 1.935 -0.180 0.000) 1.943 15.870 ( -0.379 1.873 0.000) 1.911 15.870 ( 0.379 1.873 0.000) 1.911 15.896 ( -0.891 -0.714 0.000) 1.142 15.896 ( 0.891 -0.714 0.000) 1.142 16.050 ( -0.366 2.872 0.000) 2.895 16.050 ( 0.366 2.872 0.000) 2.895 16.126 ( -1.518 -4.418 0.000) 4.672 16.126 ( 1.518 -4.418 0.000) 4.672 16.474 ( -1.402 4.354 0.000) 4.574 16.474 ( 1.402 4.354 0.000) 4.574 16.557 ( -0.772 -3.755 0.000) 3.834 16.557 ( 0.772 -3.755 0.000) 3.834 26.821 ( -0.275 0.400 0.000) 0.486 26.821 ( 0.275 0.400 0.000) 0.486 26.832 ( -0.295 -0.642 0.000) 0.706 26.832 ( 0.295 -0.642 0.000) 0.706 29.070 ( -0.840 1.725 0.000) 1.918 29.070 ( 0.840 1.725 0.000) 1.918 29.118 ( -0.259 -3.088 0.000) 3.099 29.118 ( 0.259 -3.088 0.000) 3.099 29.587 ( -3.097 4.553 0.000) 5.507 29.587 ( 3.097 4.553 0.000) 5.507 29.716 ( -3.526 -8.284 0.000) 9.003 29.716 ( 3.526 -8.284 0.000) 9.003 30.855 ( -18.975 7.356 0.000) 20.351 30.855 ( 18.975 7.356 0.000) 20.351 30.952 ( -19.331 -2.350 0.000) 19.474 30.952 ( 19.331 -2.350 0.000) 19.474======================= Grid point 63 (21/60) =======================q-point: ( 0.00 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.497 ( 0.000 0.000 23.980) 23.980 0.535 ( 0.000 0.000 26.016) 26.016 0.926 ( 0.000 0.000 42.956) 42.956 1.614 ( 0.000 0.000 -11.823) 11.823 1.781 ( 0.000 0.000 -4.018) 4.018 2.034 ( 0.000 0.000 2.591) 2.591 2.052 ( 0.000 0.000 0.667) 0.667 2.391 ( 0.000 0.000 1.422) 1.422 2.618 ( 0.000 0.000 8.285) 8.285 2.661 ( 0.000 0.000 -6.433) 6.433 2.810 ( 0.000 0.000 4.604) 4.604 2.849 ( 0.000 0.000 1.697) 1.697 2.944 ( 0.000 0.000 2.510) 2.510 3.042 ( 0.000 0.000 -4.172) 4.172 3.199 ( 0.000 0.000 7.408) 7.408 3.235 ( 0.000 0.000 -2.361) 2.361 3.239 ( 0.000 0.000 -5.868) 5.868 3.366 ( 0.000 0.000 0.825) 0.825 3.420 ( 0.000 0.000 -4.342) 4.342 3.592 ( 0.000 0.000 -6.372) 6.372 3.594 ( 0.000 0.000 -9.840) 9.840 3.667 ( 0.000 0.000 4.877) 4.877 3.820 ( 0.000 0.000 -0.978) 0.978 3.855 ( 0.000 0.000 -8.525) 8.525 3.857 ( 0.000 0.000 6.981) 6.981 4.116 ( 0.000 0.000 5.617) 5.617 4.294 ( 0.000 0.000 -4.114) 4.114 4.419 ( 0.000 0.000 0.601) 0.601 4.429 ( 0.000 0.000 -0.563) 0.563 4.491 ( 0.000 0.000 3.403) 3.403 4.493 ( 0.000 0.000 -4.936) 4.936 4.729 ( 0.000 0.000 -1.677) 1.677 4.774 ( 0.000 0.000 2.394) 2.394 5.008 ( 0.000 0.000 -4.036) 4.036 5.018 ( 0.000 0.000 2.574) 2.574 5.051 ( 0.000 0.000 1.015) 1.015 5.122 ( 0.000 0.000 4.245) 4.245 5.158 ( 0.000 0.000 -0.398) 0.398 5.170 ( 0.000 0.000 7.108) 7.108 5.198 ( 0.000 0.000 -2.205) 2.205 5.320 ( 0.000 0.000 -4.002) 4.002 5.328 ( 0.000 0.000 -1.750) 1.750 5.345 ( 0.000 0.000 -2.036) 2.036 5.424 ( 0.000 0.000 0.208) 0.208 5.537 ( 0.000 0.000 -2.184) 2.184 5.860 ( 0.000 0.000 -11.321) 11.321 6.526 ( 0.000 0.000 18.765) 18.765 7.458 ( 0.000 0.000 -7.509) 7.509 11.440 ( 0.000 0.000 0.685) 0.685 11.497 ( 0.000 0.000 -0.607) 0.607 11.644 ( 0.000 0.000 1.633) 1.633 11.747 ( 0.000 0.000 1.028) 1.028 11.799 ( 0.000 0.000 -2.104) 2.104 11.829 ( 0.000 0.000 -0.864) 0.864 12.058 ( 0.000 0.000 3.958) 3.958 12.332 ( 0.000 0.000 -2.538) 2.538 15.931 ( 0.000 0.000 -0.772) 0.772 15.946 ( 0.000 0.000 -0.827) 0.827 16.011 ( 0.000 0.000 0.413) 0.413 16.051 ( 0.000 0.000 0.821) 0.821 16.054 ( 0.000 0.000 -0.662) 0.662 16.058 ( 0.000 0.000 1.463) 1.463 16.156 ( 0.000 0.000 0.958) 0.958 16.217 ( 0.000 0.000 -1.565) 1.565 16.223 ( 0.000 0.000 -0.668) 0.668 16.262 ( 0.000 0.000 -4.927) 4.927 16.490 ( 0.000 0.000 5.237) 5.237 16.649 ( 0.000 0.000 -0.160) 0.160 26.841 ( 0.000 0.000 0.449) 0.449 26.842 ( 0.000 0.000 -0.078) 0.078 26.843 ( 0.000 0.000 -0.093) 0.093 26.879 ( 0.000 0.000 -0.411) 0.411 29.012 ( 0.000 0.000 2.709) 2.709 29.165 ( 0.000 0.000 -0.032) 0.032 29.327 ( 0.000 0.000 -0.358) 0.358 29.510 ( 0.000 0.000 -6.084) 6.084 29.588 ( 0.000 0.000 0.244) 0.244 29.613 ( 0.000 0.000 -0.356) 0.356 29.681 ( 0.000 0.000 0.188) 0.188 29.693 ( 0.000 0.000 -0.101) 0.101 29.873 ( 0.000 0.000 9.828) 9.828 30.494 ( 0.000 0.000 -7.111) 7.111 31.370 ( 0.000 0.000 3.082) 3.082 31.555 ( 0.000 0.000 -1.593) 1.593======================= Grid point 64 (22/60) =======================q-point: ( 0.17 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 75Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.700 ( 17.886 0.000 13.558) 22.444 0.785 ( 20.950 0.000 15.021) 25.779 1.360 ( 29.817 0.000 24.183) 38.390 1.649 ( 2.699 0.000 -6.784) 7.301 1.879 ( 9.304 0.000 -2.974) 9.767 1.967 ( -3.168 0.000 -0.161) 3.172 2.099 ( 1.366 0.000 -0.995) 1.690 2.306 ( -6.764 0.000 1.802) 7.000 2.542 ( -4.823 0.000 5.521) 7.331 2.663 ( -1.942 0.000 -5.972) 6.280 2.773 ( -2.966 0.000 4.713) 5.569 2.913 ( -2.622 0.000 2.263) 3.464 2.915 ( 1.757 0.000 3.959) 4.331 2.987 ( -0.625 0.000 -3.980) 4.028 3.205 ( -2.780 0.000 -4.269) 5.095 3.258 ( 2.359 0.000 -2.750) 3.623 3.264 ( 5.424 0.000 7.167) 8.988 3.362 ( -0.204 0.000 1.074) 1.094 3.501 ( 2.429 0.000 -2.248) 3.309 3.565 ( -2.300 0.000 -5.606) 6.060 3.602 ( 2.923 0.000 -4.821) 5.637 3.715 ( 0.443 0.000 2.164) 2.209 3.788 ( -3.031 0.000 3.031) 4.287 3.877 ( 5.882 0.000 -5.852) 8.297 3.950 ( 5.423 0.000 -4.078) 6.785 4.158 ( 3.553 0.000 4.612) 5.822 4.283 ( -7.619 0.000 2.930) 8.163 4.292 ( -0.336 0.000 -4.344) 4.357 4.452 ( -3.657 0.000 4.245) 5.603 4.480 ( -1.265 0.000 -4.117) 4.307 4.489 ( -1.598 0.000 3.792) 4.115 4.602 ( -1.428 0.000 -0.826) 1.650 4.798 ( -0.976 0.000 -1.968) 2.197 4.970 ( -1.663 0.000 -4.434) 4.736 5.016 ( -0.114 0.000 1.919) 1.922 5.044 ( -0.569 0.000 0.984) 1.137 5.092 ( -4.446 0.000 -1.332) 4.641 5.109 ( -1.113 0.000 3.902) 4.058 5.189 ( -0.923 0.000 -1.916) 2.126 5.241 ( 1.829 0.000 7.092) 7.324 5.304 ( -1.381 0.000 -3.376) 3.648 5.323 ( -3.025 0.000 1.553) 3.400 5.327 ( -1.485 0.000 -2.268) 2.711 5.411 ( 3.749 0.000 -3.086) 4.856 5.583 ( 2.769 0.000 -2.727) 3.887 6.035 ( 12.150 0.000 -7.616) 14.340 6.378 ( -8.661 0.000 20.506) 22.260 7.334 ( -8.753 0.000 -8.799) 12.411 11.461 ( 1.886 0.000 0.697) 2.011 11.518 ( 1.942 0.000 -0.608) 2.035 11.657 ( 1.382 0.000 2.067) 2.486 11.728 ( -1.670 0.000 0.986) 1.939 11.808 ( -1.942 0.000 -0.836) 2.114 11.856 ( 3.616 0.000 -3.188) 4.821 12.051 ( -0.410 0.000 6.014) 6.028 12.354 ( 1.154 0.000 -2.044) 2.348 15.843 ( -1.403 0.000 -0.201) 1.417 15.964 ( -2.520 0.000 -2.238) 3.370 16.009 ( -0.473 0.000 4.256) 4.282 16.024 ( 1.174 0.000 0.338) 1.222 16.059 ( 0.503 0.000 -0.548) 0.744 16.147 ( -3.445 0.000 -0.620) 3.501 16.151 ( -0.429 0.000 0.849) 0.951 16.200 ( 4.765 0.000 -2.578) 5.418 16.211 ( -1.082 0.000 -0.599) 1.237 16.348 ( 3.365 0.000 -6.823) 7.607 16.502 ( 0.953 0.000 0.048) 0.955 16.637 ( -1.290 0.000 -0.645) 1.442 26.829 ( -0.365 0.000 0.217) 0.425 26.841 ( -0.269 0.000 -0.052) 0.274 26.859 ( 0.797 0.000 0.046) 0.799 26.874 ( 0.071 0.000 0.128) 0.146 29.014 ( 1.228 0.000 2.476) 2.763 29.214 ( 1.501 0.000 1.703) 2.270 29.308 ( 0.659 0.000 0.302) 0.725 29.594 ( 0.516 0.000 0.236) 0.567 29.618 ( 4.052 0.000 -7.212) 8.273 29.619 ( 0.471 0.000 -0.361) 0.594 29.674 ( -0.582 0.000 0.217) 0.621 29.688 ( -0.450 0.000 -0.116) 0.464 29.944 ( 7.354 0.000 7.552) 10.541 30.522 ( 2.652 0.000 -6.967) 7.455 31.090 ( -18.713 0.000 14.000) 23.370 31.322 ( -11.050 0.000 1.745) 11.187======================= Grid point 65 (23/60) =======================q-point: ( 0.33 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 80Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.174 ( 23.370 0.000 1.154) 23.398 1.246 ( 19.835 0.000 8.984) 21.774 1.690 ( -0.197 0.000 3.482) 3.487 1.882 ( 10.608 0.000 -9.010) 13.918 1.923 ( -0.142 0.000 -4.794) 4.796 2.087 ( -2.933 0.000 -3.029) 4.216 2.099 ( -9.428 0.000 -1.940) 9.625 2.255 ( 26.768 0.000 14.138) 30.273 2.413 ( -7.787 0.000 -3.849) 8.686 2.649 ( 3.605 0.000 4.727) 5.945 2.717 ( -1.144 0.000 2.530) 2.777 2.838 ( -4.188 0.000 1.017) 4.309 2.870 ( -4.242 0.000 2.326) 4.838 3.058 ( 3.899 0.000 2.289) 4.521 3.144 ( -2.469 0.000 -3.020) 3.901 3.304 ( -0.106 0.000 1.017) 1.022 3.360 ( 1.115 0.000 1.802) 2.119 3.394 ( 3.787 0.000 5.884) 6.997 3.479 ( -2.159 0.000 3.717) 4.299 3.521 ( -0.096 0.000 -2.381) 2.383 3.601 ( -8.603 0.000 1.683) 8.766 3.714 ( -4.071 0.000 4.646) 6.177 3.736 ( 2.622 0.000 -1.162) 2.868 3.914 ( -9.625 0.000 -0.737) 9.653 4.080 ( 6.127 0.000 -5.442) 8.195 4.135 ( 8.047 0.000 -7.503) 11.002 4.250 ( 3.937 0.000 2.185) 4.503 4.272 ( -1.027 0.000 -4.431) 4.548 4.430 ( 0.122 0.000 2.929) 2.931 4.436 ( -2.853 0.000 -1.875) 3.414 4.470 ( 0.710 0.000 -0.210) 0.740 4.619 ( -2.269 0.000 -4.453) 4.998 4.782 ( 0.493 0.000 1.059) 1.168 4.930 ( -3.115 0.000 -4.950) 5.849 5.007 ( -1.415 0.000 0.592) 1.534 5.019 ( 0.491 0.000 0.361) 0.609 5.032 ( -0.465 0.000 0.938) 1.047 5.084 ( -0.800 0.000 3.146) 3.247 5.120 ( -6.710 0.000 0.321) 6.717 5.151 ( -2.561 0.000 -1.105) 2.789 5.274 ( -0.935 0.000 -2.377) 2.554 5.293 ( -1.468 0.000 -2.505) 2.904 5.447 ( 8.637 0.000 10.950) 13.946 5.492 ( 4.178 0.000 -1.459) 4.425 5.627 ( 1.418 0.000 -1.704) 2.216 6.041 ( -11.514 0.000 18.259) 21.586 6.456 ( 14.978 0.000 -8.792) 17.368 7.103 ( -12.619 0.000 -11.094) 16.803 11.517 ( 3.134 0.000 0.728) 3.218 11.574 ( 2.909 0.000 -0.542) 2.959 11.680 ( -2.529 0.000 0.805) 2.654 11.704 ( 2.932 0.000 2.503) 3.855 11.750 ( -3.299 0.000 -0.760) 3.386 11.862 ( -3.002 0.000 -0.141) 3.005 12.119 ( 6.471 0.000 3.494) 7.354 12.349 ( -2.044 0.000 -1.223) 2.382 15.847 ( 1.539 0.000 -0.724) 1.701 15.928 ( -0.761 0.000 -1.312) 1.517 15.985 ( -1.385 0.000 3.559) 3.820 16.043 ( -5.165 0.000 0.929) 5.248 16.057 ( 1.686 0.000 0.158) 1.694 16.073 ( 0.712 0.000 -0.250) 0.754 16.140 ( -0.461 0.000 0.524) 0.698 16.179 ( -1.772 0.000 -0.398) 1.816 16.296 ( 3.828 0.000 -3.129) 4.944 16.382 ( 0.166 0.000 -4.788) 4.791 16.524 ( 1.051 0.000 -1.556) 1.878 16.598 ( -2.129 0.000 -0.866) 2.299 26.826 ( 0.023 0.000 0.142) 0.143 26.834 ( -0.283 0.000 -0.016) 0.283 26.874 ( 0.559 0.000 -0.152) 0.580 26.880 ( 0.273 0.000 -0.083) 0.286 29.064 ( 3.076 0.000 3.240) 4.467 29.203 ( -2.176 0.000 4.941) 5.399 29.376 ( 5.291 0.000 -0.535) 5.318 29.609 ( 0.909 0.000 0.201) 0.930 29.618 ( -3.199 0.000 -2.952) 4.353 29.632 ( 0.700 0.000 -0.399) 0.806 29.658 ( -0.862 0.000 0.313) 0.917 29.674 ( -0.791 0.000 -0.138) 0.803 30.171 ( 12.410 0.000 3.650) 12.936 30.596 ( 2.462 0.000 -5.857) 6.354 30.784 ( -9.419 0.000 7.180) 11.843 31.058 ( -12.454 0.000 -0.804) 12.479======================= Grid point 66 (24/60) =======================q-point: (-0.50 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 50Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.583 ( -10.424 0.000 6.483) 12.275 1.583 ( 10.424 0.000 6.483) 12.275 1.653 ( -20.123 0.000 -2.180) 20.241 1.653 ( 20.123 0.000 -2.180) 20.241 1.984 ( -5.234 0.000 -3.374) 6.227 1.984 ( 5.234 0.000 -3.374) 6.227 2.197 ( -9.800 0.000 -12.037) 15.522 2.197 ( 9.800 0.000 -12.037) 15.522 2.732 ( -8.474 0.000 5.605) 10.160 2.732 ( 8.474 0.000 5.605) 10.160 2.747 ( -3.579 0.000 0.003) 3.579 2.747 ( 3.579 0.000 0.003) 3.579 2.946 ( -23.502 0.000 6.877) 24.488 2.946 ( 23.502 0.000 6.877) 24.488 3.144 ( -5.094 0.000 6.741) 8.449 3.144 ( 5.094 0.000 6.741) 8.449 3.393 ( -1.897 0.000 1.708) 2.553 3.393 ( 1.897 0.000 1.708) 2.553 3.456 ( -1.161 0.000 2.442) 2.704 3.456 ( 1.161 0.000 2.442) 2.704 3.607 ( -5.683 0.000 4.213) 7.075 3.607 ( 5.683 0.000 4.213) 7.075 3.796 ( -2.998 0.000 -1.788) 3.490 3.796 ( 2.998 0.000 -1.788) 3.490 4.198 ( -4.520 0.000 -5.554) 7.161 4.198 ( 4.520 0.000 -5.554) 7.161 4.353 ( -8.084 0.000 -8.071) 11.423 4.353 ( 8.084 0.000 -8.071) 11.423 4.357 ( -4.385 0.000 0.639) 4.431 4.357 ( 4.385 0.000 0.639) 4.431 4.524 ( -3.978 0.000 0.677) 4.036 4.524 ( 3.978 0.000 0.677) 4.036 4.835 ( -4.232 0.000 -1.857) 4.622 4.835 ( 4.232 0.000 -1.857) 4.622 5.025 ( -2.265 0.000 -0.159) 2.271 5.025 ( 2.265 0.000 -0.159) 2.271 5.027 ( -0.082 0.000 0.411) 0.419 5.027 ( 0.082 0.000 0.411) 0.419 5.095 ( -2.006 0.000 0.873) 2.187 5.095 ( 2.006 0.000 0.873) 2.187 5.270 ( -0.509 0.000 -2.274) 2.330 5.270 ( 0.509 0.000 -2.274) 2.330 5.553 ( -1.727 0.000 0.211) 1.740 5.553 ( 1.727 0.000 0.211) 1.740 5.763 ( -12.396 0.000 14.663) 19.201 5.763 ( 12.396 0.000 14.663) 19.201 6.797 ( -15.462 0.000 -11.278) 19.138 6.797 ( 15.462 0.000 -11.278) 19.138 11.586 ( -2.723 0.000 0.638) 2.797 11.586 ( 2.723 0.000 0.638) 2.797 11.675 ( -3.032 0.000 -0.524) 3.077 11.675 ( 3.032 0.000 -0.524) 3.077 11.780 ( -3.929 0.000 2.217) 4.511 11.780 ( 3.929 0.000 2.217) 4.511 12.262 ( -5.795 0.000 0.191) 5.798 12.262 ( 5.795 0.000 0.191) 5.798 15.902 ( -2.750 0.000 -0.856) 2.880 15.902 ( 2.750 0.000 -0.856) 2.880 15.968 ( -0.657 0.000 2.360) 2.450 15.968 ( 0.657 0.000 2.360) 2.450 16.082 ( -0.260 0.000 0.034) 0.262 16.082 ( 0.260 0.000 0.034) 0.262 16.144 ( -1.109 0.000 -0.017) 1.109 16.144 ( 1.109 0.000 -0.017) 1.109 16.361 ( -2.055 0.000 -4.072) 4.561 16.361 ( 2.055 0.000 -4.072) 4.561 16.554 ( -1.785 0.000 -0.864) 1.983 16.554 ( 1.785 0.000 -0.864) 1.983 26.829 ( -0.223 0.000 0.035) 0.226 26.829 ( 0.223 0.000 0.035) 0.226 26.882 ( -0.121 0.000 -0.205) 0.238 26.882 ( 0.121 0.000 -0.205) 0.238 29.137 ( -3.507 0.000 4.733) 5.890 29.137 ( 3.507 0.000 4.733) 5.890 29.509 ( -6.311 0.000 -1.411) 6.466 29.509 ( 6.311 0.000 -1.411) 6.466 29.631 ( -0.950 0.000 0.043) 0.951 29.631 ( 0.950 0.000 0.043) 0.951 29.656 ( -0.794 0.000 -0.054) 0.796 29.656 ( 0.794 0.000 -0.054) 0.796 30.446 ( -12.378 0.000 2.132) 12.560 30.446 ( 12.378 0.000 2.132) 12.560 30.822 ( -8.787 0.000 -2.081) 9.030 30.822 ( 8.787 0.000 -2.081) 9.030======================= Grid point 70 (25/60) =======================q-point: ( 0.00 0.11 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.733 ( 0.000 17.639 17.743) 25.018 0.763 ( 0.000 19.757 17.137) 26.154 1.269 ( 0.000 28.075 23.655) 36.712 1.756 ( 0.000 12.323 -9.790) 15.739 1.816 ( 0.000 5.153 -1.802) 5.459 2.082 ( 0.000 3.864 -0.543) 3.902 2.082 ( 0.000 2.401 3.260) 4.048 2.395 ( 0.000 1.531 1.840) 2.394 2.622 ( 0.000 0.625 7.743) 7.768 2.641 ( 0.000 -1.505 -4.690) 4.926 2.810 ( 0.000 0.254 -0.287) 0.383 2.896 ( 0.000 4.134 5.969) 7.261 3.054 ( 0.000 1.382 -1.964) 2.401 3.124 ( 0.000 -0.909 -7.218) 7.275 3.226 ( 0.000 -1.130 -6.431) 6.529 3.255 ( 0.000 3.612 6.066) 7.060 3.336 ( 0.000 14.332 -4.844) 15.128 3.411 ( 0.000 0.901 -3.912) 4.014 3.471 ( 0.000 2.137 -4.590) 5.063 3.559 ( 0.000 3.248 -1.453) 3.558 3.628 ( 0.000 -2.675 3.682) 4.552 3.681 ( 0.000 6.688 -3.407) 7.506 3.837 ( 0.000 1.904 -5.129) 5.471 3.889 ( 0.000 4.701 -6.233) 7.807 3.926 ( 0.000 5.321 6.441) 8.355 4.136 ( 0.000 1.674 5.612) 5.857 4.346 ( 0.000 -3.353 3.277) 4.688 4.367 ( 0.000 3.714 -0.598) 3.762 4.462 ( 0.000 6.457 -5.690) 8.606 4.481 ( 0.000 0.476 0.908) 1.025 4.555 ( 0.000 3.403 -4.550) 5.682 4.695 ( 0.000 -3.308 -0.951) 3.442 4.755 ( 0.000 -2.186 3.604) 4.215 4.845 ( 0.000 -10.693 4.645) 11.658 4.963 ( 0.000 -6.023 -5.894) 8.427 5.085 ( 0.000 -3.405 1.846) 3.873 5.101 ( 0.000 3.552 2.507) 4.347 5.116 ( 0.000 2.584 3.394) 4.266 5.177 ( 0.000 -2.816 -1.271) 3.089 5.197 ( 0.000 1.407 7.458) 7.589 5.344 ( 0.000 1.522 -4.657) 4.899 5.383 ( 0.000 3.620 -1.628) 3.969 5.413 ( 0.000 2.883 -3.962) 4.900 5.449 ( 0.000 3.394 -1.344) 3.651 5.542 ( 0.000 0.193 -1.664) 1.675 5.818 ( 0.000 -3.827 -10.230) 10.923 6.436 ( 0.000 -8.542 17.878) 19.814 7.283 ( 0.000 -12.460 -3.905) 13.058 11.488 ( 0.000 4.393 0.109) 4.395 11.497 ( 0.000 -0.408 0.032) 0.409 11.670 ( 0.000 3.446 0.355) 3.464 11.718 ( 0.000 -2.023 0.648) 2.125 11.827 ( 0.000 -0.863 -0.473) 0.984 11.833 ( 0.000 2.480 -1.996) 3.183 12.045 ( 0.000 -0.973 4.498) 4.602 12.329 ( 0.000 -0.279 -2.229) 2.247 15.802 ( 0.000 -3.680 -1.393) 3.935 15.873 ( 0.000 -4.491 -2.018) 4.923 15.982 ( 0.000 -0.300 1.838) 1.862 16.042 ( 0.000 -0.616 2.425) 2.502 16.114 ( 0.000 -1.578 2.236) 2.737 16.155 ( 0.000 -1.076 -1.103) 1.541 16.207 ( 0.000 7.446 0.687) 7.478 16.228 ( 0.000 3.840 -1.661) 4.184 16.279 ( 0.000 3.062 -1.146) 3.269 16.318 ( 0.000 5.369 -3.739) 6.542 16.456 ( 0.000 -2.311 3.950) 4.576 16.618 ( 0.000 -3.065 -0.189) 3.071 26.837 ( 0.000 -0.619 0.015) 0.619 26.838 ( 0.000 -0.278 0.406) 0.492 26.839 ( 0.000 -0.309 -0.130) 0.335 26.867 ( 0.000 -0.807 0.303) 0.862 28.989 ( 0.000 -1.557 2.331) 2.803 29.164 ( 0.000 0.024 -0.071) 0.075 29.298 ( 0.000 -2.637 -0.671) 2.721 29.356 ( 0.000 -7.287 10.678) 12.928 29.528 ( 0.000 -3.587 -5.415) 6.495 29.602 ( 0.000 -1.562 -0.286) 1.588 29.743 ( 0.000 5.909 0.366) 5.921 29.751 ( 0.000 3.174 1.236) 3.406 29.916 ( 0.000 1.960 5.901) 6.218 30.433 ( 0.000 -6.074 -6.424) 8.841 31.383 ( 0.000 1.735 2.920) 3.397 31.738 ( 0.000 9.561 -12.522) 15.755======================= Grid point 71 (26/60) =======================q-point: ( 0.17 0.11 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 135Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.845 ( 11.321 14.830 13.509) 23.034 0.941 ( 16.544 13.235 12.835) 24.772 1.603 ( 23.027 19.151 10.402) 31.705 1.778 ( 1.605 10.973 -4.621) 12.014 1.926 ( 9.492 5.310 -0.630) 10.895 2.018 ( -2.837 4.391 -1.933) 5.574 2.120 ( 1.657 2.866 2.654) 4.243 2.336 ( -5.567 3.116 1.182) 6.489 2.553 ( -4.801 1.135 2.695) 5.622 2.643 ( 0.112 -0.485 -1.893) 1.957 2.818 ( 0.034 2.736 1.674) 3.207 2.925 ( -1.842 1.474 0.584) 2.431 2.948 ( -2.021 3.392 5.650) 6.893 3.136 ( 0.293 1.981 -7.342) 7.611 3.210 ( -5.399 6.584 -3.858) 9.348 3.242 ( -0.064 0.086 -0.514) 0.525 3.326 ( 5.334 4.508 5.647) 8.981 3.408 ( -2.221 -2.454 -1.221) 3.528 3.480 ( 0.612 7.011 -0.355) 7.047 3.581 ( 2.576 -0.641 -2.228) 3.466 3.662 ( -1.200 5.337 -2.804) 6.147 3.692 ( 2.579 -1.136 1.794) 3.341 3.825 ( -3.355 3.178 1.818) 4.966 3.922 ( 6.828 5.011 -6.389) 10.609 3.989 ( 4.272 3.561 -3.150) 6.392 4.181 ( 3.152 1.424 4.865) 5.969 4.299 ( -3.652 3.131 1.480) 5.033 4.370 ( -2.967 4.964 -0.178) 5.786 4.422 ( -1.722 -2.493 1.352) 3.318 4.464 ( -6.676 0.622 1.746) 6.928 4.537 ( 0.342 0.176 -3.304) 3.327 4.580 ( -0.068 1.873 -3.381) 3.866 4.760 ( -2.873 -3.615 1.288) 4.794 4.866 ( 2.066 -5.524 -2.570) 6.433 4.941 ( -2.037 -6.900 -4.977) 8.748 5.075 ( -0.805 2.246 1.935) 3.072 5.111 ( -0.286 2.961 0.789) 3.078 5.152 ( -1.278 -2.157 -0.602) 2.579 5.183 ( 3.602 0.996 3.241) 4.946 5.247 ( 1.260 0.900 3.777) 4.082 5.304 ( -1.483 0.183 0.993) 1.794 5.331 ( -1.967 2.515 -2.377) 3.980 5.379 ( -2.980 3.181 0.453) 4.382 5.450 ( 0.562 3.513 -3.485) 4.980 5.583 ( 2.283 -0.132 -2.429) 3.336 5.984 ( 11.644 -5.023 -7.748) 14.861 6.299 ( -9.031 -7.497 18.751) 22.122 7.206 ( -6.942 -11.018 -7.388) 14.973 11.509 ( 1.902 4.292 0.233) 4.700 11.531 ( 2.916 0.822 -0.088) 3.030 11.672 ( 0.631 2.209 1.269) 2.624 11.735 ( 0.621 -0.255 0.288) 0.730 11.814 ( -1.204 0.228 -0.314) 1.264 11.873 ( 2.175 1.652 -3.071) 4.110 12.031 ( -0.478 -1.199 5.643) 5.788 12.333 ( -0.046 -1.857 -1.962) 2.701 15.809 ( 0.647 -2.873 -1.340) 3.236 15.881 ( 0.631 -4.179 -2.066) 4.704 15.942 ( -1.678 -2.036 3.262) 4.195 16.039 ( -0.745 -0.414 -0.105) 0.859 16.089 ( -2.001 -0.851 1.848) 2.853 16.130 ( -2.305 -1.778 -0.336) 2.931 16.188 ( -0.987 4.309 0.414) 4.440 16.216 ( -2.024 1.814 -0.624) 2.789 16.290 ( 3.602 6.580 -1.011) 7.569 16.389 ( 2.179 1.713 -1.010) 2.950 16.490 ( 2.364 -0.357 -2.424) 3.405 16.606 ( -1.023 -2.928 -0.558) 3.151 26.827 ( -0.339 -0.230 0.202) 0.457 26.835 ( -0.167 -0.537 -0.001) 0.563 26.855 ( 0.729 -0.378 0.092) 0.826 26.867 ( 0.178 -0.608 0.217) 0.670 29.003 ( 1.569 -0.920 2.110) 2.786 29.205 ( 1.256 -0.808 2.044) 2.531 29.273 ( 0.018 -2.868 -0.147) 2.871 29.450 ( 4.947 -8.461 5.650) 11.313 29.532 ( -0.169 -4.847 -3.911) 6.231 29.606 ( 0.981 -2.203 -1.702) 2.952 29.754 ( 0.911 6.186 0.332) 6.262 29.766 ( 1.473 5.394 0.626) 5.627 29.995 ( 7.136 2.880 5.058) 9.209 30.469 ( 3.406 -5.466 -6.138) 8.897 31.221 ( -14.866 5.472 3.680) 16.263 31.428 ( -18.542 11.565 -2.132) 21.957======================= Grid point 72 (27/60) =======================q-point: ( 0.33 0.11 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 136Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.204 ( 19.082 4.819 5.002) 20.307 1.341 ( 18.990 8.703 6.036) 21.744 1.765 ( -3.828 5.690 3.981) 7.930 1.951 ( -1.920 4.717 -7.530) 9.090 1.982 ( 7.148 4.210 -8.218) 11.677 2.063 ( -1.775 1.565 -2.425) 3.388 2.173 ( -4.239 5.420 -0.974) 6.949 2.394 ( 23.131 11.368 11.634) 28.278 2.424 ( -6.766 2.747 -5.660) 9.240 2.663 ( 1.833 1.484 4.231) 4.844 2.817 ( 1.844 8.326 3.175) 9.100 2.845 ( -2.119 3.092 0.418) 3.771 2.981 ( -0.844 5.363 5.185) 7.507 3.102 ( -1.563 1.183 -0.306) 1.984 3.134 ( -0.984 6.141 -2.814) 6.826 3.269 ( 0.095 -2.079 2.075) 2.939 3.357 ( -1.414 -4.617 2.536) 5.454 3.463 ( 4.608 4.474 3.614) 7.370 3.479 ( 2.855 7.450 3.083) 8.553 3.557 ( -6.827 -1.309 -0.112) 6.953 3.637 ( -2.597 4.418 -0.008) 5.125 3.724 ( -2.039 2.855 3.194) 4.744 3.778 ( 1.500 1.638 0.112) 2.224 3.976 ( -10.436 6.296 -0.584) 12.202 4.103 ( 7.193 2.051 -6.094) 9.648 4.160 ( 4.368 3.164 -5.101) 7.423 4.251 ( 2.021 -0.893 1.793) 2.846 4.327 ( 0.476 4.698 -0.711) 4.776 4.384 ( -1.826 -3.143 -0.422) 3.659 4.421 ( -0.906 -0.272 -0.333) 1.003 4.534 ( -0.689 2.996 0.882) 3.198 4.586 ( -1.941 -1.103 -5.744) 6.163 4.739 ( 1.520 -2.329 0.312) 2.799 4.872 ( -1.476 -2.691 -4.478) 5.429 4.925 ( 1.093 -5.390 -2.755) 6.151 5.042 ( -2.966 -0.396 -2.094) 3.652 5.071 ( -1.737 0.461 -0.940) 2.028 5.140 ( -4.104 0.907 -0.827) 4.283 5.156 ( 0.049 5.863 2.296) 6.297 5.215 ( -0.539 6.815 1.992) 7.120 5.297 ( -0.972 2.074 -1.690) 2.846 5.324 ( -2.141 2.642 -0.197) 3.406 5.428 ( 8.167 -1.982 11.847) 14.525 5.480 ( 2.558 -0.157 -1.783) 3.122 5.614 ( 0.681 -1.256 -1.451) 2.036 5.976 ( -11.552 -6.099 17.872) 22.137 6.373 ( 14.590 -7.917 -8.587) 18.689 6.997 ( -12.035 -9.918 -10.059) 18.558 11.565 ( 3.174 4.298 0.457) 5.363 11.609 ( 3.914 2.981 -0.425) 4.939 11.697 ( 0.816 0.115 2.103) 2.259 11.725 ( -0.555 3.476 0.140) 3.523 11.776 ( -2.206 2.403 -0.142) 3.265 11.860 ( -3.273 0.081 -0.148) 3.277 12.088 ( 5.595 -2.691 2.898) 6.852 12.307 ( -2.613 -3.864 -1.325) 4.849 15.833 ( 1.715 -1.659 -0.995) 2.585 15.894 ( 0.353 -3.114 -1.486) 3.468 15.927 ( 0.053 -3.350 2.789) 4.360 16.012 ( -3.109 -1.662 0.763) 3.607 16.039 ( -0.847 -1.297 -0.233) 1.566 16.078 ( -1.978 -1.085 0.600) 2.335 16.169 ( -0.686 3.183 0.397) 3.280 16.182 ( -1.208 1.293 -0.117) 1.773 16.367 ( 3.073 4.846 -1.561) 5.947 16.418 ( 0.713 1.313 -0.621) 1.617 16.521 ( 0.764 0.175 -3.119) 3.216 16.579 ( -1.414 -1.180 -1.729) 2.527 26.824 ( 0.023 -0.201 0.144) 0.248 26.831 ( -0.220 -0.354 0.025) 0.417 26.868 ( 0.507 -0.516 -0.055) 0.726 26.873 ( 0.273 -0.612 -0.022) 0.670 29.055 ( 3.030 -0.803 2.970) 4.318 29.189 ( -2.211 -1.275 5.155) 5.752 29.311 ( 3.059 -4.584 -1.131) 5.626 29.460 ( -2.707 -7.691 -0.043) 8.154 29.570 ( 2.741 -4.113 0.001) 4.943 29.625 ( 0.182 -2.259 -1.650) 2.804 29.782 ( 1.513 8.668 -0.166) 8.801 29.801 ( 1.244 8.354 -0.142) 8.447 30.207 ( 11.996 2.551 3.628) 12.790 30.581 ( 6.756 -2.677 -5.360) 9.030 30.855 ( -16.288 6.139 4.268) 17.922 31.081 ( -14.607 3.690 -1.519) 15.142======================= Grid point 73 (28/60) =======================q-point: (-0.50 0.11 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.572 ( -13.263 0.612 3.201) 13.657 1.572 ( 13.263 0.612 3.201) 13.657 1.734 ( -16.216 6.652 0.370) 17.531 1.734 ( 16.216 6.652 0.370) 17.531 2.019 ( -1.083 2.952 -3.013) 4.355 2.019 ( 1.083 2.952 -3.013) 4.355 2.266 ( -7.143 6.143 -10.427) 14.053 2.266 ( 7.143 6.143 -10.427) 14.053 2.704 ( -2.082 -0.057 1.841) 2.780 2.704 ( 2.082 -0.057 1.841) 2.780 2.869 ( -4.290 6.050 5.157) 9.033 2.869 ( 4.290 6.050 5.157) 9.033 3.027 ( -11.504 9.001 0.911) 14.635 3.027 ( 11.504 9.001 0.911) 14.635 3.168 ( -7.074 4.125 8.275) 11.642 3.168 ( 7.074 4.125 8.275) 11.642 3.376 ( -4.206 -2.549 1.614) 5.176 3.376 ( 4.206 -2.549 1.614) 5.176 3.525 ( -3.733 6.557 1.415) 7.677 3.525 ( 3.733 6.557 1.415) 7.677 3.632 ( -5.398 3.275 4.698) 7.870 3.632 ( 5.398 3.275 4.698) 7.870 3.831 ( -3.045 2.651 -1.263) 4.231 3.831 ( 3.045 2.651 -1.263) 4.231 4.219 ( -3.848 1.051 -3.869) 5.557 4.219 ( 3.848 1.051 -3.869) 5.557 4.313 ( -5.445 -2.163 -6.420) 8.692 4.313 ( 5.445 -2.163 -6.420) 8.692 4.381 ( -2.829 1.111 0.845) 3.155 4.381 ( 2.829 1.111 0.845) 3.155 4.533 ( -1.451 1.577 -0.623) 2.232 4.533 ( 1.451 1.577 -0.623) 2.232 4.805 ( -4.004 -1.113 -2.316) 4.758 4.805 ( 4.004 -1.113 -2.316) 4.758 4.969 ( -2.769 -3.509 -3.980) 5.985 4.969 ( 2.769 -3.509 -3.980) 5.985 5.072 ( -1.596 0.964 -0.828) 2.041 5.072 ( 1.596 0.964 -0.828) 2.041 5.186 ( -1.731 8.416 2.708) 9.008 5.186 ( 1.731 8.416 2.708) 9.008 5.293 ( -0.591 1.863 -1.019) 2.204 5.293 ( 0.591 1.863 -1.019) 2.204 5.533 ( -1.042 -1.740 1.729) 2.665 5.533 ( 1.042 -1.740 1.729) 2.665 5.713 ( -10.876 -4.455 13.517) 17.912 5.713 ( 10.876 -4.455 13.517) 17.912 6.702 ( -14.905 -9.044 -10.528) 20.367 6.702 ( 14.905 -9.044 -10.528) 20.367 11.635 ( -2.740 4.254 0.595) 5.095 11.635 ( 2.740 4.254 0.595) 5.095 11.710 ( -2.849 3.025 -0.704) 4.215 11.710 ( 2.849 3.025 -0.704) 4.215 11.779 ( -3.476 0.505 2.060) 4.072 11.779 ( 3.476 0.505 2.060) 4.072 12.217 ( -5.532 -4.227 -0.007) 6.962 12.217 ( 5.532 -4.227 -0.007) 6.962 15.880 ( -1.971 -2.435 -0.799) 3.233 15.880 ( 1.971 -2.435 -0.799) 3.233 15.944 ( -1.916 -1.659 1.952) 3.199 15.944 ( 1.916 -1.659 1.952) 3.199 16.047 ( -0.951 -1.995 -0.261) 2.225 16.047 ( 0.951 -1.995 -0.261) 2.225 16.164 ( -0.345 2.042 0.146) 2.076 16.164 ( 0.345 2.042 0.146) 2.076 16.414 ( -1.206 2.715 -1.582) 3.365 16.414 ( 1.206 2.715 -1.582) 3.365 16.545 ( -1.552 0.013 -2.014) 2.543 16.545 ( 1.552 0.013 -2.014) 2.543 26.826 ( -0.189 -0.244 0.061) 0.315 26.826 ( 0.189 -0.244 0.061) 0.315 26.875 ( -0.106 -0.599 -0.121) 0.620 26.875 ( 0.106 -0.599 -0.121) 0.620 29.126 ( -3.353 -1.048 4.459) 5.677 29.126 ( 3.353 -1.048 4.459) 5.677 29.388 ( -3.708 -7.104 -0.613) 8.037 29.388 ( 3.708 -7.104 -0.613) 8.037 29.613 ( -1.230 -2.293 -0.677) 2.689 29.613 ( 1.230 -2.293 -0.677) 2.689 29.808 ( -0.623 10.096 -0.449) 10.125 29.808 ( 0.623 10.096 -0.449) 10.125 30.496 ( -14.284 4.014 2.563) 15.057 30.496 ( 14.284 4.014 2.563) 15.057 30.801 ( -10.814 -1.054 -2.695) 11.194 30.801 ( 10.814 -1.054 -2.695) 11.194======================= Grid point 77 (29/60) =======================q-point: ( 0.00 0.22 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.106 ( 0.000 19.525 9.255) 21.607 1.198 ( 0.000 22.747 8.802) 24.391 1.686 ( 0.000 11.952 1.825) 12.091 1.977 ( 0.000 6.003 -1.268) 6.135 2.001 ( 0.000 10.642 -6.548) 12.495 2.143 ( 0.000 1.918 -7.001) 7.259 2.252 ( 0.000 17.267 12.661) 21.412 2.465 ( 0.000 7.296 1.273) 7.407 2.623 ( 0.000 0.048 -2.777) 2.778 2.657 ( 0.000 3.407 6.649) 7.471 2.819 ( 0.000 0.458 -0.953) 1.058 2.983 ( 0.000 3.978 6.992) 8.044 3.044 ( 0.000 -4.978 -4.551) 6.745 3.079 ( 0.000 -0.108 0.595) 0.605 3.200 ( 0.000 -1.359 -4.930) 5.114 3.266 ( 0.000 -2.226 1.769) 2.843 3.382 ( 0.000 -4.248 -3.202) 5.319 3.469 ( 0.000 4.232 0.436) 4.255 3.524 ( 0.000 3.314 -0.184) 3.319 3.601 ( 0.000 1.338 0.380) 1.390 3.717 ( 0.000 5.986 1.850) 6.265 3.819 ( 0.000 6.704 -1.842) 6.953 3.861 ( 0.000 0.228 -9.835) 9.837 4.011 ( 0.000 4.312 7.633) 8.766 4.063 ( 0.000 7.102 -7.211) 10.121 4.205 ( 0.000 9.180 5.495) 10.699 4.349 ( 0.000 -0.553 4.174) 4.210 4.404 ( 0.000 1.156 -1.817) 2.153 4.492 ( 0.000 -1.495 2.240) 2.693 4.565 ( 0.000 -0.703 -1.576) 1.726 4.589 ( 0.000 -2.435 -0.632) 2.516 4.657 ( 0.000 6.422 -5.263) 8.303 4.665 ( 0.000 -2.272 -2.623) 3.471 4.768 ( 0.000 -12.144 -3.181) 12.554 4.812 ( 0.000 5.050 -1.412) 5.244 5.073 ( 0.000 0.446 -0.515) 0.682 5.126 ( 0.000 -0.542 -0.116) 0.554 5.152 ( 0.000 2.453 5.367) 5.901 5.182 ( 0.000 2.076 4.266) 4.744 5.263 ( 0.000 6.196 2.530) 6.693 5.362 ( 0.000 0.698 -3.920) 3.982 5.457 ( 0.000 2.725 -0.396) 2.754 5.469 ( 0.000 4.605 -1.033) 4.720 5.529 ( 0.000 4.240 -3.294) 5.369 5.536 ( 0.000 -0.849 -0.534) 1.003 5.737 ( 0.000 -3.564 -7.903) 8.670 6.229 ( 0.000 -11.499 16.123) 19.804 7.020 ( 0.000 -14.923 -5.477) 15.897 11.490 ( 0.000 -0.037 0.582) 0.584 11.577 ( 0.000 3.496 -1.663) 3.871 11.678 ( 0.000 -1.978 1.316) 2.376 11.762 ( 0.000 4.396 -1.086) 4.528 11.794 ( 0.000 -1.393 0.319) 1.429 11.886 ( 0.000 3.382 -2.379) 4.135 12.041 ( 0.000 0.814 5.199) 5.263 12.322 ( 0.000 -0.502 -1.695) 1.768 15.782 ( 0.000 0.711 -3.636) 3.705 15.812 ( 0.000 -1.623 -1.953) 2.540 15.985 ( 0.000 0.692 1.455) 1.611 16.041 ( 0.000 -0.128 3.894) 3.896 16.070 ( 0.000 -1.508 0.091) 1.511 16.114 ( 0.000 -2.117 -1.015) 2.348 16.268 ( 0.000 0.436 -1.840) 1.890 16.310 ( 0.000 1.950 -2.022) 2.809 16.378 ( 0.000 -0.547 2.790) 2.843 16.390 ( 0.000 7.731 1.958) 7.975 16.454 ( 0.000 3.317 0.692) 3.388 16.537 ( 0.000 -4.894 -0.152) 4.896 26.821 ( 0.000 -0.853 0.018) 0.853 26.831 ( 0.000 -0.515 -0.303) 0.598 26.833 ( 0.000 -0.229 0.502) 0.552 26.852 ( 0.000 -0.685 0.437) 0.812 28.967 ( 0.000 -0.558 0.638) 0.848 29.168 ( 0.000 0.293 -0.993) 1.035 29.237 ( 0.000 -3.092 -0.310) 3.107 29.261 ( 0.000 -3.281 9.769) 10.305 29.472 ( 0.000 -2.028 -6.079) 6.408 29.535 ( 0.000 -5.350 -0.001) 5.350 29.746 ( 0.000 -3.099 6.726) 7.405 29.887 ( 0.000 8.025 0.530) 8.043 29.994 ( 0.000 5.706 0.645) 5.742 30.268 ( 0.000 -10.185 -4.894) 11.299 31.455 ( 0.000 5.688 2.528) 6.225 31.860 ( 0.000 3.583 -9.633) 10.278======================= Grid point 78 (30/60) =======================q-point: ( 0.17 0.22 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 135Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.204 ( 5.083 19.152 9.671) 22.049 1.261 ( 10.764 19.071 7.488) 23.144 1.865 ( 11.871 7.472 -4.855) 14.843 1.980 ( -2.178 7.477 -0.725) 7.821 2.014 ( 3.092 2.519 -1.647) 4.315 2.100 ( -2.790 3.765 -7.277) 8.655 2.322 ( 4.591 11.571 9.372) 15.582 2.464 ( 0.427 12.777 1.880) 12.921 2.583 ( -3.106 2.020 -2.517) 4.479 2.669 ( 1.756 3.252 3.164) 4.865 2.863 ( 3.388 1.979 -0.152) 3.926 2.975 ( -1.668 3.756 -0.920) 4.211 3.046 ( 2.899 5.527 9.438) 11.315 3.078 ( -0.638 -3.566 -5.438) 6.534 3.203 ( 1.530 -2.061 -1.039) 2.769 3.240 ( -4.834 -4.227 0.414) 6.434 3.387 ( 3.696 1.021 -1.087) 3.985 3.501 ( -2.147 3.456 0.527) 4.103 3.524 ( 4.086 3.445 0.040) 5.345 3.632 ( 1.540 0.750 2.002) 2.635 3.731 ( 0.129 5.784 0.432) 5.802 3.753 ( -4.040 3.681 -2.152) 5.874 3.888 ( 0.827 3.239 -2.635) 4.257 4.031 ( 2.435 4.183 1.871) 5.189 4.112 ( 4.103 6.728 -7.009) 10.546 4.194 ( -0.161 2.215 3.982) 4.559 4.358 ( -1.512 -2.554 2.960) 4.192 4.378 ( -2.869 0.075 0.210) 2.878 4.428 ( -3.776 3.853 1.336) 5.558 4.501 ( -1.532 4.618 -0.695) 4.915 4.558 ( -4.142 0.684 -5.192) 6.677 4.646 ( 1.992 -0.274 -1.717) 2.644 4.712 ( 1.044 2.042 -0.267) 2.309 4.773 ( -0.549 -9.010 -1.619) 9.170 4.835 ( 1.892 3.299 -5.449) 6.645 5.075 ( -2.387 -2.803 -3.739) 5.247 5.127 ( 1.428 2.686 1.017) 3.208 5.158 ( 1.179 -0.491 4.003) 4.202 5.219 ( 3.615 2.529 4.367) 6.208 5.280 ( -1.776 3.610 0.139) 4.026 5.325 ( -1.651 1.713 -0.810) 2.513 5.371 ( -3.017 2.708 1.449) 4.305 5.465 ( -0.836 4.993 -1.077) 5.176 5.532 ( -0.312 4.484 -1.190) 4.650 5.574 ( 1.599 -0.589 -0.770) 1.871 5.862 ( 9.245 -6.516 -6.911) 13.255 6.119 ( -8.024 -9.810 15.872) 20.311 6.953 ( -6.230 -14.473 -6.692) 17.119 11.536 ( 3.875 0.094 0.507) 3.909 11.597 ( 1.814 3.316 -1.009) 3.912 11.712 ( 2.858 -1.755 0.874) 3.466 11.749 ( -0.534 4.607 0.069) 4.639 11.808 ( 1.148 -0.274 0.272) 1.212 11.908 ( 0.535 2.318 -2.436) 3.405 12.032 ( -0.351 1.289 4.187) 4.395 12.296 ( -2.357 -1.621 -1.666) 3.310 15.776 ( -0.035 -0.114 -2.210) 2.213 15.829 ( 1.126 -1.254 -2.076) 2.674 15.934 ( -2.803 0.675 3.308) 4.388 16.038 ( -1.109 0.258 0.884) 1.442 16.050 ( -1.687 -1.932 0.399) 2.596 16.092 ( -1.756 -1.756 -0.409) 2.516 16.234 ( -1.693 0.694 -0.121) 1.833 16.295 ( -1.906 4.478 -0.504) 4.893 16.367 ( 0.303 -1.307 2.131) 2.518 16.432 ( 1.922 5.426 0.702) 5.799 16.492 ( 1.394 -1.240 -1.915) 2.673 16.546 ( 1.752 -1.606 -0.748) 2.491 26.821 ( -0.091 -0.537 0.053) 0.547 26.823 ( -0.139 -0.414 0.134) 0.457 26.845 ( 0.614 -0.566 0.084) 0.839 26.854 ( 0.177 -0.634 0.302) 0.724 28.986 ( 1.712 -0.630 1.076) 2.118 29.187 ( -0.127 -0.964 3.526) 3.657 29.213 ( 0.048 -3.112 -1.725) 3.558 29.332 ( 4.162 -3.793 5.058) 7.569 29.439 ( -1.755 -4.810 -2.239) 5.588 29.550 ( 1.222 -2.928 -2.597) 4.101 29.791 ( 3.383 -1.967 4.404) 5.891 29.924 ( 2.907 8.643 0.286) 9.123 30.052 ( 5.422 2.696 1.407) 6.216 30.331 ( 6.036 -7.225 -4.507) 10.438 31.317 ( -12.272 6.000 2.368) 13.864 31.634 ( -17.831 7.690 -6.247) 20.399======================= Grid point 79 (31/60) =======================q-point: ( 0.33 0.22 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 136Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.381 ( 10.959 12.570 6.964) 18.072 1.566 ( 15.526 13.648 2.937) 20.880 1.848 ( -7.942 2.361 1.571) 8.433 2.000 ( 0.438 0.075 -4.333) 4.356 2.057 ( -1.360 5.119 -3.045) 6.109 2.179 ( 4.285 7.926 -4.621) 10.126 2.291 ( -1.228 6.525 -0.926) 6.704 2.484 ( -2.471 4.443 -5.821) 7.729 2.615 ( 6.721 6.483 1.002) 9.392 2.703 ( 1.149 2.591 3.462) 4.474 2.929 ( 1.450 3.571 1.267) 4.057 2.981 ( -4.539 -1.007 -2.593) 5.324 3.042 ( 6.962 10.220 1.688) 12.481 3.177 ( 6.718 8.054 4.180) 11.290 3.204 ( 2.143 0.119 4.211) 4.726 3.247 ( 2.207 -2.377 2.310) 3.982 3.410 ( -1.360 8.769 1.826) 9.060 3.460 ( -2.696 -2.866 -0.538) 3.971 3.605 ( -1.162 5.070 0.881) 5.275 3.630 ( 4.029 5.953 2.055) 7.476 3.704 ( -0.185 3.687 -0.281) 3.702 3.762 ( 2.626 -1.601 0.388) 3.100 3.852 ( -3.574 7.380 2.190) 8.487 4.092 ( -3.924 3.838 -2.520) 6.039 4.158 ( -2.798 0.166 2.021) 3.455 4.218 ( 1.045 1.080 -3.728) 4.019 4.237 ( 2.306 4.508 -1.980) 5.438 4.322 ( -1.187 -2.209 -1.136) 2.753 4.403 ( -0.594 0.952 1.391) 1.787 4.461 ( -4.161 3.127 -2.565) 5.802 4.538 ( 2.765 2.694 -0.727) 3.928 4.649 ( -1.418 4.851 1.824) 5.373 4.752 ( 1.855 0.506 -3.485) 3.980 4.787 ( 1.922 -5.551 -3.013) 6.602 4.860 ( 1.005 1.190 -4.863) 5.107 5.015 ( -3.312 -0.656 -6.397) 7.234 5.104 ( -1.665 1.737 -0.149) 2.411 5.154 ( -5.526 1.154 -0.653) 5.683 5.222 ( 2.765 -3.344 0.363) 4.354 5.296 ( 0.589 3.062 1.097) 3.306 5.337 ( 1.517 3.476 1.838) 4.215 5.381 ( 4.133 0.507 8.333) 9.316 5.448 ( -0.575 7.241 0.454) 7.278 5.523 ( -0.134 4.095 1.646) 4.415 5.585 ( -0.255 -1.434 -0.152) 1.464 5.838 ( -10.440 -7.033 15.807) 20.207 6.183 ( 12.964 -10.373 -7.661) 18.285 6.758 ( -11.437 -13.639 -8.120) 19.565 11.631 ( 4.129 0.497 0.347) 4.173 11.652 ( 3.236 1.810 0.413) 3.731 11.741 ( -0.133 3.754 0.754) 3.831 11.786 ( 2.748 1.984 -0.408) 3.414 11.832 ( 0.734 2.975 0.183) 3.069 11.877 ( -2.684 2.232 0.321) 3.506 12.047 ( 1.931 -0.655 1.163) 2.348 12.222 ( -4.363 -3.997 -1.369) 6.073 15.792 ( 1.464 -1.375 -0.703) 2.128 15.846 ( 0.092 -1.236 -1.585) 2.012 15.900 ( -0.123 0.142 2.650) 2.657 15.988 ( -3.206 -1.153 1.203) 3.613 16.018 ( -0.722 -0.505 -0.406) 0.970 16.053 ( -1.711 -1.010 0.154) 1.993 16.209 ( -0.611 1.150 0.671) 1.465 16.246 ( -2.220 3.673 0.417) 4.312 16.383 ( 1.003 -1.871 0.730) 2.244 16.437 ( -1.165 -1.092 -0.272) 1.619 16.529 ( 2.499 1.989 -1.788) 3.660 16.586 ( 0.913 0.986 -2.735) 3.047 26.820 ( 0.020 -0.179 0.120) 0.217 26.822 ( -0.032 -0.438 0.128) 0.457 26.857 ( 0.377 -0.697 0.017) 0.793 26.859 ( 0.222 -0.734 0.094) 0.772 29.037 ( 2.825 -0.874 2.241) 3.710 29.157 ( -2.090 -1.855 4.980) 5.711 29.232 ( 1.290 -3.365 -1.533) 3.917 29.330 ( -2.829 -5.487 0.858) 6.233 29.488 ( 4.362 -3.683 -0.269) 5.715 29.572 ( 0.415 -2.630 -2.423) 3.600 29.872 ( 3.900 -0.082 0.934) 4.011 29.969 ( 0.532 5.635 -1.000) 5.748 30.241 ( 12.246 1.797 3.057) 12.749 30.530 ( 12.011 -0.927 -3.647) 12.587 30.969 ( -18.532 6.323 2.455) 19.734 31.218 ( -19.115 8.288 -3.349) 21.102======================= Grid point 80 (32/60) =======================q-point: (-0.50 0.22 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.629 ( -10.987 5.110 3.027) 12.490 1.629 ( 10.987 5.110 3.027) 12.490 1.892 ( -11.972 9.009 -1.081) 15.021 1.892 ( 11.972 9.009 -1.081) 15.021 2.072 ( -3.672 2.271 -0.232) 4.324 2.072 ( 3.672 2.271 -0.232) 4.324 2.413 ( -4.737 8.553 -8.997) 13.287 2.413 ( 4.737 8.553 -8.997) 13.287 2.715 ( -1.495 1.148 0.615) 1.982 2.715 ( 1.495 1.148 0.615) 1.982 2.916 ( -0.932 -0.629 2.147) 2.424 2.916 ( 0.932 -0.629 2.147) 2.424 3.179 ( -2.841 1.702 1.527) 3.647 3.179 ( 2.841 1.702 1.527) 3.647 3.316 ( -1.918 4.690 5.541) 7.508 3.316 ( 1.918 4.690 5.541) 7.508 3.390 ( -1.918 10.380 -0.091) 10.556 3.390 ( 1.918 10.380 -0.091) 10.556 3.637 ( -5.726 5.699 0.765) 8.115 3.637 ( 5.727 5.699 0.765) 8.115 3.754 ( -4.217 5.462 1.563) 7.075 3.754 ( 4.217 5.462 1.563) 7.075 3.863 ( -7.729 2.084 2.856) 8.499 3.863 ( 7.729 2.084 2.856) 8.499 4.208 ( -2.045 -0.933 -0.694) 2.353 4.208 ( 2.045 -0.933 -0.694) 2.353 4.303 ( -2.475 0.711 -5.174) 5.780 4.303 ( 2.475 0.711 -5.174) 5.780 4.399 ( -1.009 0.224 -0.720) 1.259 4.399 ( 1.009 0.224 -0.720) 1.259 4.601 ( -2.703 5.614 0.502) 6.251 4.601 ( 2.703 5.614 0.502) 6.251 4.790 ( -1.360 -3.028 -2.381) 4.085 4.790 ( 1.360 -3.028 -2.381) 4.085 4.923 ( -4.513 1.228 -5.941) 7.561 4.923 ( 4.513 1.228 -5.941) 7.561 5.090 ( -0.894 1.100 -1.158) 1.830 5.090 ( 0.894 1.100 -1.158) 1.830 5.270 ( -1.906 -1.504 -0.914) 2.594 5.270 ( 1.906 -1.504 -0.914) 2.594 5.387 ( -2.574 7.694 2.231) 8.414 5.387 ( 2.574 7.694 2.231) 8.414 5.514 ( -2.207 0.388 6.292) 6.679 5.514 ( 2.207 0.388 6.292) 6.679 5.625 ( -6.975 -3.240 8.776) 11.669 5.625 ( 6.975 -3.240 8.776) 11.669 6.480 ( -13.789 -12.527 -8.676) 20.551 6.480 ( 13.789 -12.527 -8.676) 20.551 11.692 ( -1.271 0.267 1.252) 1.804 11.692 ( 1.271 0.267 1.252) 1.804 11.767 ( -3.334 3.207 -0.488) 4.652 11.767 ( 3.334 3.207 -0.488) 4.652 11.847 ( -0.711 5.862 0.498) 5.926 11.847 ( 0.711 5.862 0.498) 5.926 12.120 ( -4.604 -4.801 -0.431) 6.666 12.120 ( 4.604 -4.801 -0.431) 6.666 15.828 ( -1.542 -1.770 -0.610) 2.426 15.828 ( 1.542 -1.770 -0.610) 2.426 15.925 ( -2.226 -0.356 1.709) 2.828 15.925 ( 2.226 -0.356 1.709) 2.828 16.022 ( -1.006 -0.685 -0.157) 1.227 16.022 ( 1.006 -0.685 -0.157) 1.227 16.211 ( -0.854 2.154 0.623) 2.399 16.211 ( 0.854 2.154 0.623) 2.399 16.408 ( -1.320 -2.138 -0.048) 2.513 16.408 ( 1.320 -2.138 -0.048) 2.513 16.577 ( -1.550 2.143 -2.508) 3.645 16.577 ( 1.550 2.143 -2.508) 3.645 26.821 ( -0.081 -0.240 0.123) 0.282 26.821 ( 0.081 -0.240 0.123) 0.282 26.861 ( -0.036 -0.780 -0.005) 0.781 26.861 ( 0.036 -0.780 -0.005) 0.781 29.101 ( -2.940 -1.333 3.731) 4.933 29.101 ( 2.940 -1.333 3.731) 4.933 29.271 ( -2.357 -4.767 -0.052) 5.318 29.271 ( 2.357 -4.767 -0.052) 5.318 29.558 ( -1.901 -2.827 -1.400) 3.683 29.558 ( 1.901 -2.827 -1.400) 3.683 29.945 ( -2.510 1.956 -0.939) 3.318 29.945 ( 2.510 1.956 -0.939) 3.318 30.568 ( -17.506 4.345 2.928) 18.274 30.568 ( 17.506 4.345 2.928) 18.274 30.836 ( -16.014 4.565 -3.018) 16.923 30.836 ( 16.014 4.565 -3.018) 16.923======================= Grid point 84 (33/60) =======================q-point: ( 0.00 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.459 ( 0.000 15.233 2.011) 15.366 1.601 ( 0.000 16.834 3.079) 17.113 1.867 ( 0.000 8.685 -1.038) 8.747 2.073 ( 0.000 5.924 -0.928) 5.997 2.089 ( 0.000 -1.376 -1.438) 1.990 2.213 ( 0.000 5.628 -12.531) 13.737 2.446 ( 0.000 4.525 4.253) 6.210 2.636 ( 0.000 0.613 -1.066) 1.230 2.703 ( 0.000 9.338 1.733) 9.498 2.753 ( 0.000 2.748 5.267) 5.941 2.811 ( 0.000 -2.490 0.304) 2.508 3.005 ( 0.000 -4.926 2.532) 5.538 3.017 ( 0.000 4.814 1.065) 4.930 3.037 ( 0.000 0.607 -1.723) 1.827 3.193 ( 0.000 0.428 2.499) 2.535 3.196 ( 0.000 -3.952 0.414) 3.973 3.371 ( 0.000 2.832 -0.114) 2.834 3.516 ( 0.000 1.735 -2.150) 2.762 3.561 ( 0.000 1.972 -1.609) 2.545 3.678 ( 0.000 6.086 2.674) 6.647 3.775 ( 0.000 0.129 2.025) 2.029 3.839 ( 0.000 -2.640 -9.310) 9.677 3.940 ( 0.000 5.741 -2.578) 6.294 4.090 ( 0.000 -0.556 -7.120) 7.142 4.125 ( 0.000 4.088 7.344) 8.405 4.198 ( 0.000 -8.162 5.212) 9.684 4.335 ( 0.000 -2.281 -0.031) 2.281 4.458 ( 0.000 -2.248 -1.697) 2.816 4.466 ( 0.000 -1.050 -0.253) 1.080 4.500 ( 0.000 -2.968 2.537) 3.905 4.582 ( 0.000 -0.703 1.384) 1.552 4.617 ( 0.000 1.094 -0.512) 1.208 4.659 ( 0.000 3.326 1.890) 3.826 4.796 ( 0.000 5.385 -5.509) 7.704 4.928 ( 0.000 4.391 -7.151) 8.391 5.044 ( 0.000 -4.409 -2.907) 5.281 5.189 ( 0.000 6.859 -0.025) 6.859 5.201 ( 0.000 2.575 5.824) 6.368 5.229 ( 0.000 3.815 5.412) 6.622 5.401 ( 0.000 6.458 -2.140) 6.803 5.427 ( 0.000 6.071 -2.636) 6.619 5.501 ( 0.000 -1.040 0.269) 1.074 5.539 ( 0.000 5.815 1.574) 6.024 5.560 ( 0.000 4.408 0.725) 4.467 5.614 ( 0.000 4.525 -2.750) 5.295 5.694 ( 0.000 -1.034 -5.581) 5.676 6.019 ( 0.000 -9.260 13.368) 16.262 6.684 ( 0.000 -19.270 -4.833) 19.867 11.498 ( 0.000 0.894 0.536) 1.043 11.602 ( 0.000 -0.648 -1.376) 1.521 11.640 ( 0.000 -1.746 0.060) 1.747 11.723 ( 0.000 -3.456 -0.975) 3.591 11.883 ( 0.000 5.569 0.568) 5.598 11.980 ( 0.000 5.223 -0.813) 5.286 12.071 ( 0.000 2.391 3.615) 4.334 12.303 ( 0.000 -1.552 -1.367) 2.068 15.804 ( 0.000 0.567 -1.345) 1.459 15.810 ( 0.000 1.835 -3.181) 3.672 16.002 ( 0.000 -2.238 2.210) 3.145 16.006 ( 0.000 1.036 0.770) 1.291 16.080 ( 0.000 -0.974 -0.624) 1.156 16.104 ( 0.000 3.569 -0.375) 3.588 16.242 ( 0.000 -2.720 1.515) 3.113 16.333 ( 0.000 0.552 -2.799) 2.853 16.360 ( 0.000 -0.774 -2.218) 2.350 16.424 ( 0.000 -5.569 -0.098) 5.569 16.524 ( 0.000 4.744 2.879) 5.549 16.529 ( 0.000 3.511 3.686) 5.091 26.807 ( 0.000 -0.556 0.024) 0.556 26.819 ( 0.000 -0.673 -0.361) 0.764 26.830 ( 0.000 -0.035 0.476) 0.477 26.841 ( 0.000 -0.441 0.438) 0.622 28.970 ( 0.000 0.953 -1.140) 1.486 29.140 ( 0.000 -3.319 -3.622) 4.912 29.214 ( 0.000 -1.434 7.644) 7.777 29.223 ( 0.000 1.847 1.776) 2.563 29.407 ( 0.000 -7.045 1.241) 7.153 29.439 ( 0.000 -1.915 -4.581) 4.965 29.683 ( 0.000 -2.116 5.453) 5.849 30.005 ( 0.000 -2.159 -2.096) 3.009 30.084 ( 0.000 -2.436 -0.707) 2.536 30.103 ( 0.000 4.742 0.055) 4.742 31.596 ( 0.000 8.120 1.502) 8.258 31.894 ( 0.000 -0.015 -6.006) 6.007======================= Grid point 85 (34/60) =======================q-point: ( 0.17 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 135Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.533 ( 5.784 13.672 2.264) 15.017 1.649 ( 5.005 18.308 5.342) 19.717 1.951 ( 1.358 2.274 -4.049) 4.838 2.046 ( -2.059 2.170 -3.213) 4.390 2.104 ( 6.769 6.020 1.745) 9.225 2.201 ( -1.009 5.854 -8.177) 10.106 2.449 ( 0.118 4.416 2.268) 4.966 2.590 ( -3.492 0.721 -2.229) 4.205 2.676 ( -2.649 1.567 0.526) 3.122 2.744 ( 0.538 3.297 1.033) 3.497 2.877 ( 4.510 -1.618 0.816) 4.861 3.003 ( -0.211 -1.695 -4.703) 5.004 3.080 ( 4.514 -0.097 2.734) 5.278 3.128 ( 4.189 2.609 1.655) 5.205 3.171 ( 2.225 0.964 3.601) 4.341 3.250 ( 3.179 6.196 4.611) 8.352 3.382 ( 2.038 0.573 -2.851) 3.551 3.521 ( 0.116 2.571 -1.882) 3.188 3.583 ( -0.740 0.072 1.112) 1.338 3.640 ( 1.670 0.787 -0.337) 1.877 3.764 ( -3.196 -0.838 -2.897) 4.394 3.865 ( 2.132 5.667 2.576) 6.580 3.946 ( 1.087 3.302 -3.271) 4.773 4.118 ( -1.626 -0.512 -0.942) 1.948 4.140 ( 2.410 3.134 3.216) 5.096 4.160 ( 2.220 -3.235 -3.557) 5.296 4.359 ( -4.906 -3.352 -1.270) 6.076 4.410 ( 2.075 -2.756 0.847) 3.553 4.449 ( -1.662 3.471 -0.738) 3.918 4.524 ( -0.779 -3.807 1.050) 4.025 4.582 ( 0.843 -0.611 3.930) 4.065 4.610 ( -0.224 -1.201 1.759) 2.142 4.665 ( 0.491 3.374 1.740) 3.828 4.816 ( 2.050 5.655 -5.762) 8.329 4.947 ( 0.874 5.225 -6.764) 8.592 5.027 ( -1.751 -3.703 -4.173) 5.847 5.136 ( -1.074 1.821 2.079) 2.965 5.191 ( -1.557 1.953 3.311) 4.147 5.287 ( 2.412 5.458 3.562) 6.950 5.354 ( -6.492 3.519 -3.054) 7.991 5.381 ( -2.324 3.938 -3.036) 5.489 5.489 ( -0.482 7.896 3.711) 8.738 5.523 ( 2.506 -0.189 0.312) 2.533 5.596 ( -0.174 5.536 0.550) 5.566 5.623 ( 0.584 3.984 -0.394) 4.046 5.755 ( 4.325 -3.946 -3.901) 7.035 5.948 ( -4.729 -7.022 11.878) 14.586 6.635 ( -4.785 -17.950 -5.279) 19.312 11.541 ( 3.574 0.584 0.490) 3.655 11.624 ( 1.865 -0.147 -1.456) 2.371 11.668 ( 2.529 -2.392 1.026) 3.629 11.748 ( 2.129 -3.074 -1.366) 3.981 11.880 ( 0.125 5.706 1.430) 5.883 11.994 ( 0.312 5.744 -1.601) 5.972 12.062 ( -0.453 1.502 2.912) 3.308 12.268 ( -3.209 -1.511 -1.331) 3.789 15.796 ( -0.302 1.713 -2.121) 2.743 15.827 ( 0.998 0.815 -1.728) 2.155 15.952 ( -2.585 0.650 3.530) 4.424 16.003 ( -1.502 -1.686 -0.162) 2.263 16.066 ( -1.293 -0.419 -0.612) 1.491 16.082 ( -1.736 3.016 -0.099) 3.481 16.218 ( -1.323 -2.384 1.632) 3.177 16.336 ( -1.791 -1.378 -0.614) 2.342 16.359 ( 0.520 1.258 -1.401) 1.954 16.418 ( -0.031 -3.172 -1.487) 3.503 16.535 ( 1.204 3.613 1.503) 4.094 16.551 ( 1.627 0.988 1.955) 2.729 26.809 ( 0.214 -0.463 0.061) 0.514 26.819 ( -0.001 -0.249 -0.162) 0.298 26.834 ( 0.298 -0.478 0.377) 0.678 26.844 ( 0.206 -0.421 0.266) 0.539 28.985 ( 1.370 0.635 -0.355) 1.552 29.148 ( 0.283 -3.540 -2.541) 4.367 29.170 ( -1.364 -0.646 4.336) 4.592 29.286 ( 0.386 -2.031 2.781) 3.465 29.351 ( 1.122 -2.715 0.555) 2.990 29.510 ( 2.687 -1.366 -4.119) 5.104 29.712 ( 2.858 -4.512 5.149) 7.418 29.969 ( -2.178 -6.643 -2.173) 7.321 30.128 ( 6.771 6.800 1.530) 9.717 30.265 ( 10.874 0.705 -1.835) 11.051 31.462 ( -11.882 8.295 1.541) 14.573 31.727 ( -14.340 1.944 -4.899) 15.278======================= Grid point 86 (35/60) =======================q-point: ( 0.33 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 136Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.651 ( 4.910 13.502 4.153) 14.956 1.826 ( 10.145 8.994 2.221) 13.739 1.873 ( -5.057 2.421 1.602) 5.831 2.035 ( 0.606 5.217 -5.012) 7.260 2.139 ( -2.496 3.140 -0.153) 4.014 2.332 ( -0.193 7.061 -1.888) 7.311 2.439 ( 5.886 8.368 -1.459) 10.335 2.553 ( 1.220 1.354 -6.828) 7.067 2.660 ( 2.121 -0.867 -1.952) 3.010 2.749 ( 0.424 0.393 1.688) 1.785 2.919 ( -4.586 -0.542 -2.160) 5.098 2.981 ( 0.002 2.773 -0.853) 2.901 3.128 ( 0.944 -3.407 0.018) 3.535 3.167 ( 0.565 -1.129 0.657) 1.423 3.253 ( 4.394 1.580 2.094) 5.117 3.340 ( -3.393 -4.053 -1.206) 5.421 3.464 ( 10.141 10.052 4.455) 14.957 3.572 ( 6.644 8.409 -1.539) 10.827 3.614 ( 3.068 -2.914 1.016) 4.351 3.684 ( 1.084 -0.722 0.567) 1.421 3.735 ( 0.788 -0.538 0.367) 1.022 3.864 ( -1.318 10.074 3.162) 10.641 3.961 ( -0.349 5.529 2.006) 5.892 4.132 ( 2.147 -0.648 -6.199) 6.592 4.158 ( -3.530 0.662 1.707) 3.976 4.214 ( 3.147 -0.565 -2.010) 3.777 4.279 ( -1.263 0.954 -2.034) 2.577 4.372 ( -4.318 4.505 -0.046) 6.241 4.425 ( -0.626 0.218 0.396) 0.772 4.460 ( -4.028 -0.613 -1.037) 4.204 4.619 ( 1.598 -6.548 4.455) 8.079 4.638 ( 2.543 -4.361 3.652) 6.230 4.684 ( 1.615 5.759 1.874) 6.267 4.855 ( -1.447 6.837 -5.985) 9.201 4.934 ( 0.022 3.671 -6.228) 7.229 5.016 ( 0.508 -0.575 -7.201) 7.242 5.120 ( -0.767 1.110 0.747) 1.542 5.160 ( 0.097 -0.804 0.174) 0.828 5.193 ( -5.593 2.705 0.377) 6.225 5.323 ( -2.858 0.754 -1.972) 3.553 5.365 ( 3.376 1.952 5.508) 6.749 5.494 ( 0.761 6.073 2.925) 6.783 5.550 ( -1.965 0.084 3.069) 3.645 5.584 ( 0.461 3.342 -0.383) 3.396 5.627 ( 0.029 6.899 2.143) 7.224 5.730 ( -5.571 -2.412 10.996) 12.561 6.002 ( 9.391 -7.572 -5.119) 13.104 6.476 ( -9.693 -15.013 -5.691) 18.755 11.627 ( 3.776 -0.091 0.504) 3.810 11.668 ( 1.801 0.106 -0.045) 1.805 11.741 ( 3.468 -2.785 0.617) 4.491 11.796 ( 1.642 -2.320 -1.138) 3.062 11.900 ( 1.945 5.329 1.567) 5.885 11.978 ( -0.877 6.500 -0.582) 6.584 12.059 ( -0.223 0.997 0.118) 1.028 12.172 ( -5.395 -1.240 -1.071) 5.638 15.798 ( 0.705 1.791 -0.864) 2.110 15.844 ( 0.207 0.765 -1.214) 1.450 15.915 ( -0.740 0.931 2.826) 3.067 15.959 ( -2.079 -1.654 0.727) 2.754 16.028 ( -1.568 1.213 -0.309) 2.006 16.046 ( -1.520 0.754 0.027) 1.697 16.200 ( -0.286 -2.474 1.575) 2.947 16.270 ( -3.387 -2.218 0.260) 4.057 16.376 ( 0.946 1.606 0.026) 1.864 16.414 ( -0.517 1.011 -1.569) 1.936 16.569 ( 1.602 0.969 -0.591) 1.964 16.585 ( 1.168 -1.123 -0.646) 1.744 26.815 ( 0.250 -0.216 0.135) 0.357 26.819 ( 0.034 0.060 0.062) 0.093 26.841 ( 0.313 -0.774 0.187) 0.856 26.847 ( 0.061 -0.537 0.077) 0.546 29.027 ( 2.404 0.054 1.149) 2.665 29.126 ( -1.707 -1.110 3.407) 3.970 29.169 ( 0.613 -3.193 -0.751) 3.337 29.238 ( -2.587 -4.081 1.534) 5.069 29.446 ( 4.815 -0.167 -0.367) 4.832 29.542 ( 0.441 0.002 -3.082) 3.114 29.792 ( 4.019 -6.899 1.768) 8.178 29.928 ( -1.993 -7.828 -1.995) 8.320 30.352 ( 13.754 8.273 2.381) 16.226 30.551 ( 15.307 1.939 -2.216) 15.587 31.121 ( -18.509 8.630 1.930) 20.513 31.344 ( -19.634 3.914 -3.165) 20.269======================= Grid point 87 (36/60) =======================q-point: (-0.50 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.756 ( -5.036 7.296 3.111) 9.395 1.756 ( 5.036 7.296 3.111) 9.395 2.018 ( -4.601 1.430 -2.618) 5.484 2.018 ( 4.601 1.430 -2.618) 5.484 2.166 ( -7.605 9.393 2.154) 12.276 2.166 ( 7.605 9.393 2.154) 12.276 2.575 ( -1.339 6.119 -8.499) 10.558 2.575 ( 1.339 6.119 -8.499) 10.558 2.747 ( -5.239 2.325 -0.672) 5.771 2.747 ( 5.239 2.325 -0.672) 5.771 2.885 ( -7.326 -0.921 0.801) 7.427 2.885 ( 7.326 -0.921 0.801) 7.427 3.159 ( -1.251 -1.795 0.110) 2.191 3.159 ( 1.251 -1.795 0.110) 2.191 3.298 ( -0.603 -4.702 0.286) 4.749 3.298 ( 0.603 -4.702 0.286) 4.749 3.633 ( -4.296 7.488 -0.857) 8.675 3.633 ( 4.296 7.488 -0.857) 8.675 3.681 ( -1.709 -1.859 -0.198) 2.532 3.681 ( 1.709 -1.859 -0.198) 2.532 3.810 ( -4.901 5.148 4.499) 8.412 3.810 ( 4.901 5.148 4.499) 8.412 4.001 ( -6.562 9.969 4.670) 12.816 4.001 ( 6.562 9.969 4.670) 12.816 4.204 ( -2.769 -1.905 -6.450) 7.274 4.204 ( 2.769 -1.905 -6.450) 7.274 4.313 ( -1.786 2.002 -0.263) 2.696 4.313 ( 1.786 2.002 -0.263) 2.696 4.404 ( -0.278 0.766 -0.980) 1.274 4.404 ( 0.278 0.766 -0.980) 1.274 4.657 ( -1.042 -7.204 3.477) 8.067 4.657 ( 1.042 -7.204 3.477) 8.067 4.751 ( -4.828 6.708 -0.661) 8.291 4.751 ( 4.828 6.708 -0.661) 8.291 4.990 ( -2.943 2.389 -6.556) 7.573 4.990 ( 2.943 2.389 -6.556) 7.573 5.120 ( -1.518 2.460 -0.156) 2.895 5.120 ( 1.518 2.460 -0.156) 2.895 5.230 ( -5.049 -1.224 -1.963) 5.554 5.230 ( 5.049 -1.224 -1.963) 5.554 5.457 ( -4.509 -0.278 7.204) 8.503 5.457 ( 4.509 -0.278 7.204) 8.503 5.551 ( -2.796 1.551 3.462) 4.713 5.551 ( 2.796 1.551 3.462) 4.713 5.647 ( -1.980 6.377 3.234) 7.419 5.647 ( 1.980 6.377 3.234) 7.419 6.239 ( -11.636 -11.678 -5.872) 17.500 6.239 ( 11.636 -11.678 -5.872) 17.500 11.683 ( -0.910 -0.374 0.830) 1.287 11.683 ( 0.910 -0.374 0.830) 1.287 11.792 ( -1.589 -1.445 -0.210) 2.158 11.792 ( 1.589 -1.445 -0.210) 2.158 11.963 ( -2.123 5.371 -0.028) 5.776 11.963 ( 2.123 5.371 -0.028) 5.776 12.068 ( -2.658 -0.179 -0.614) 2.734 12.068 ( 2.658 -0.179 -0.614) 2.734 15.826 ( -1.529 1.354 -0.569) 2.120 15.826 ( 1.529 1.354 -0.569) 2.120 15.922 ( -1.224 -0.235 1.766) 2.161 15.922 ( 1.224 -0.235 1.766) 2.161 16.019 ( -0.716 0.591 -0.120) 0.936 16.019 ( 0.716 0.591 -0.120) 0.936 16.213 ( -1.655 -2.584 1.052) 3.244 16.213 ( 1.655 -2.584 1.052) 3.244 16.397 ( -0.970 2.015 -0.635) 2.325 16.397 ( 0.970 2.015 -0.635) 2.325 16.593 ( -0.466 -0.777 -1.417) 1.682 16.593 ( 0.466 -0.777 -1.417) 1.682 26.819 ( -0.110 0.031 0.163) 0.199 26.819 ( 0.110 0.031 0.163) 0.199 26.846 ( -0.143 -0.737 0.046) 0.752 26.846 ( 0.143 -0.737 0.046) 0.752 29.081 ( -2.415 -0.491 2.679) 3.640 29.081 ( 2.415 -0.491 2.679) 3.640 29.192 ( -1.600 -3.547 0.461) 3.919 29.192 ( 1.600 -3.547 0.461) 3.919 29.525 ( -2.234 0.005 -1.639) 2.771 29.525 ( 2.234 0.005 -1.639) 2.771 29.872 ( -3.219 -7.829 -1.182) 8.547 29.872 ( 3.219 -7.829 -1.182) 8.547 30.704 ( -17.891 8.702 2.014) 19.997 30.704 ( 17.891 8.702 2.014) 19.997 30.926 ( -18.011 3.429 -1.935) 18.437 30.926 ( 18.011 3.429 -1.935) 18.437======================= Grid point 91 (37/60) =======================q-point: ( 0.00 0.44 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.683 ( 0.000 8.140 -5.129) 9.621 1.779 ( 0.000 0.139 -5.912) 5.914 2.037 ( 0.000 6.617 3.542) 7.506 2.075 ( 0.000 1.000 5.399) 5.491 2.209 ( 0.000 7.150 -4.851) 8.640 2.287 ( 0.000 0.677 -11.589) 11.609 2.529 ( 0.000 4.446 1.325) 4.639 2.621 ( 0.000 -3.289 -0.132) 3.292 2.703 ( 0.000 -3.122 4.673) 5.620 2.705 ( 0.000 -4.821 5.907) 7.625 2.872 ( 0.000 7.429 -2.099) 7.720 2.961 ( 0.000 -0.748 -2.771) 2.870 3.018 ( 0.000 -1.593 -2.281) 2.782 3.045 ( 0.000 -2.918 -0.548) 2.969 3.163 ( 0.000 0.057 4.401) 4.401 3.182 ( 0.000 -1.664 4.075) 4.402 3.473 ( 0.000 6.314 0.388) 6.326 3.545 ( 0.000 -0.282 -3.387) 3.398 3.633 ( 0.000 4.869 -3.420) 5.950 3.729 ( 0.000 -4.445 -1.987) 4.869 3.787 ( 0.000 -0.812 -5.054) 5.119 3.807 ( 0.000 2.580 -1.603) 3.037 3.998 ( 0.000 0.202 6.609) 6.612 4.044 ( 0.000 3.621 -4.012) 5.405 4.084 ( 0.000 -0.563 -6.485) 6.510 4.175 ( 0.000 -11.967 2.822) 12.295 4.305 ( 0.000 6.396 4.387) 7.755 4.353 ( 0.000 -1.476 0.281) 1.502 4.448 ( 0.000 0.968 0.532) 1.104 4.526 ( 0.000 -1.930 1.266) 2.308 4.574 ( 0.000 -0.121 6.731) 6.732 4.606 ( 0.000 -1.481 4.461) 4.701 4.759 ( 0.000 5.882 1.056) 5.976 4.863 ( 0.000 -0.809 -4.961) 5.026 4.931 ( 0.000 -3.076 -2.092) 3.720 4.953 ( 0.000 -1.215 -6.580) 6.692 5.256 ( 0.000 2.956 4.990) 5.800 5.291 ( 0.000 0.961 0.376) 1.032 5.329 ( 0.000 5.411 2.037) 5.781 5.417 ( 0.000 -3.687 0.702) 3.753 5.498 ( 0.000 3.656 -3.603) 5.133 5.540 ( 0.000 -0.107 -3.349) 3.351 5.640 ( 0.000 3.234 -1.137) 3.428 5.678 ( 0.000 -1.061 -3.204) 3.375 5.723 ( 0.000 6.420 2.331) 6.830 5.775 ( 0.000 12.045 3.590) 12.568 5.899 ( 0.000 2.462 5.230) 5.780 6.270 ( 0.000 -22.539 -2.619) 22.691 11.525 ( 0.000 1.783 0.535) 1.861 11.566 ( 0.000 -2.354 0.692) 2.454 11.629 ( 0.000 0.652 -1.930) 2.037 11.662 ( 0.000 -2.571 -1.389) 2.922 11.977 ( 0.000 3.806 1.637) 4.143 12.024 ( 0.000 -0.682 2.292) 2.391 12.158 ( 0.000 5.625 -0.571) 5.654 12.253 ( 0.000 -3.742 -1.225) 3.937 15.825 ( 0.000 1.236 -0.625) 1.385 15.837 ( 0.000 0.405 -1.265) 1.329 15.978 ( 0.000 0.048 -0.623) 0.625 15.999 ( 0.000 -1.501 -1.371) 2.033 16.100 ( 0.000 2.860 1.522) 3.239 16.163 ( 0.000 -1.892 1.649) 2.510 16.205 ( 0.000 3.405 0.463) 3.437 16.310 ( 0.000 -5.853 -0.116) 5.854 16.339 ( 0.000 0.267 -3.351) 3.362 16.347 ( 0.000 -0.545 -3.574) 3.616 16.581 ( 0.000 1.612 4.143) 4.445 16.585 ( 0.000 1.359 3.646) 3.891 26.801 ( 0.000 0.016 -0.063) 0.065 26.807 ( 0.000 -0.510 -0.222) 0.556 26.831 ( 0.000 0.110 0.403) 0.418 26.834 ( 0.000 -0.230 0.381) 0.445 29.007 ( 0.000 2.682 -2.824) 3.895 29.070 ( 0.000 -3.559 -3.671) 5.113 29.210 ( 0.000 1.185 5.837) 5.956 29.256 ( 0.000 -1.620 3.072) 3.472 29.310 ( 0.000 0.615 1.631) 1.743 29.379 ( 0.000 -4.056 -0.794) 4.133 29.701 ( 0.000 4.198 0.748) 4.264 29.834 ( 0.000 -8.910 -2.120) 9.158 30.148 ( 0.000 2.876 0.828) 2.993 30.164 ( 0.000 1.261 0.457) 1.341 31.750 ( 0.000 7.027 -0.434) 7.041 31.857 ( 0.000 -3.747 -3.000) 4.800======================= Grid point 92 (38/60) =======================q-point: ( 0.17 0.44 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 135Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.727 ( 3.752 6.970 -3.307) 8.579 1.829 ( 2.495 -2.147 -4.666) 5.710 2.042 ( 0.353 9.341 7.227) 11.816 2.155 ( 6.462 1.525 3.458) 7.485 2.192 ( -0.529 7.059 -6.129) 9.363 2.290 ( 1.196 1.239 -10.396) 10.538 2.513 ( -0.992 2.514 0.527) 2.754 2.581 ( -2.453 -2.288 1.037) 3.511 2.649 ( -3.682 -0.968 2.063) 4.330 2.692 ( -0.878 -6.014 2.716) 6.657 2.913 ( 3.985 5.046 -1.408) 6.582 2.995 ( 2.977 -2.158 -3.058) 4.782 3.057 ( 3.077 0.870 -1.599) 3.575 3.095 ( 2.144 -2.225 -1.235) 3.327 3.207 ( 2.948 1.008 4.830) 5.748 3.266 ( 5.092 -3.667 2.214) 6.654 3.468 ( 0.005 5.100 -0.267) 5.107 3.533 ( -1.444 -2.245 -0.602) 2.736 3.648 ( 1.128 3.480 -2.183) 4.260 3.702 ( -0.404 8.786 -2.800) 9.231 3.717 ( -0.763 -3.334 -3.681) 5.025 3.902 ( 3.283 -7.854 -3.852) 9.344 4.021 ( 2.729 5.514 -0.354) 6.163 4.071 ( 2.536 4.542 0.252) 5.208 4.109 ( 1.495 -2.497 -4.552) 5.403 4.220 ( 3.036 -5.627 3.535) 7.306 4.318 ( 1.416 2.990 3.921) 5.130 4.347 ( -0.186 -0.255 1.061) 1.107 4.428 ( -1.518 -0.472 0.717) 1.744 4.498 ( -2.344 -1.940 1.482) 3.384 4.557 ( -1.300 -1.099 6.574) 6.791 4.578 ( -2.478 -1.801 5.007) 5.870 4.775 ( 1.321 5.812 1.175) 6.075 4.879 ( 1.310 -2.635 -2.702) 3.995 4.945 ( 1.494 0.445 -4.898) 5.140 4.987 ( 2.021 -1.346 -7.242) 7.638 5.210 ( -3.185 3.392 1.784) 4.983 5.226 ( -3.008 1.365 2.796) 4.328 5.382 ( 1.866 3.583 1.195) 4.213 5.416 ( -6.692 2.692 -3.138) 7.866 5.436 ( -3.687 0.145 -2.918) 4.704 5.463 ( -0.037 -3.197 0.121) 3.199 5.638 ( -1.527 2.758 2.742) 4.178 5.664 ( -2.118 -0.627 0.556) 2.278 5.730 ( 1.371 5.758 0.826) 5.976 5.803 ( 2.129 4.101 1.236) 4.783 5.881 ( -0.944 8.874 3.896) 9.738 6.253 ( -2.043 -20.698 -2.741) 20.978 11.561 ( 3.080 1.503 0.450) 3.456 11.599 ( 2.755 -2.112 0.362) 3.490 11.649 ( 1.690 0.707 -1.056) 2.114 11.685 ( 2.029 -2.838 -1.315) 3.729 11.982 ( 0.479 4.285 1.684) 4.629 12.039 ( 1.097 -1.310 1.592) 2.336 12.136 ( -1.859 5.450 -0.748) 5.807 12.224 ( -2.601 -3.274 -1.192) 4.348 15.830 ( 0.455 1.535 -1.023) 1.900 15.845 ( 0.684 0.353 -1.062) 1.311 15.954 ( -1.824 0.297 0.868) 2.042 15.976 ( -1.953 -1.477 -0.710) 2.550 16.086 ( -1.120 2.602 0.791) 2.941 16.147 ( -1.285 -1.423 1.213) 2.268 16.170 ( -2.660 2.633 0.486) 3.774 16.266 ( -3.169 -5.127 -0.426) 6.042 16.371 ( 2.377 1.036 -1.968) 3.256 16.393 ( 3.078 -0.837 -3.605) 4.814 16.572 ( -0.795 0.985 3.468) 3.692 16.578 ( -0.557 0.726 2.619) 2.774 26.805 ( 0.340 0.062 -0.028) 0.347 26.811 ( 0.345 -0.452 -0.209) 0.606 26.831 ( 0.020 0.147 0.435) 0.459 26.836 ( 0.116 -0.336 0.289) 0.458 29.015 ( 0.849 2.431 -1.917) 3.210 29.076 ( 0.564 -3.613 -2.924) 4.682 29.172 ( -1.980 1.118 4.240) 4.812 29.218 ( -2.586 -3.538 3.068) 5.349 29.373 ( 5.028 3.671 0.925) 6.294 29.460 ( 5.141 -4.259 -1.315) 6.805 29.687 ( -0.978 2.900 1.420) 3.374 29.804 ( -2.090 -8.219 -1.442) 8.602 30.242 ( 8.514 4.146 0.756) 9.500 30.283 ( 10.015 -0.122 -0.206) 10.018 31.617 ( -11.811 6.873 -0.218) 13.667 31.716 ( -12.474 -2.964 -2.536) 13.070======================= Grid point 93 (39/60) =======================q-point: ( 0.33 0.44 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 136Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.828 ( 5.249 3.406 -1.092) 6.352 1.856 ( 1.019 -0.282 -0.590) 1.211 2.008 ( -3.617 8.305 5.226) 10.458 2.129 ( -6.033 -2.251 0.269) 6.445 2.264 ( 5.300 12.290 -3.707) 13.888 2.439 ( 5.175 0.617 -4.097) 6.629 2.500 ( -0.200 -1.170 -2.063) 2.380 2.601 ( 3.999 -4.018 -0.821) 5.728 2.611 ( 3.270 4.252 -2.317) 5.843 2.690 ( 3.444 -3.165 1.090) 4.803 2.995 ( 0.753 4.737 -1.268) 4.961 3.060 ( -3.116 1.967 -1.732) 4.072 3.067 ( 2.936 0.533 -2.395) 3.827 3.135 ( 1.137 -1.702 -1.340) 2.447 3.208 ( -2.165 -2.534 0.794) 3.427 3.251 ( -5.762 -5.011 -1.164) 7.725 3.537 ( 5.341 -0.627 0.028) 5.378 3.556 ( 4.738 -2.046 2.271) 5.638 3.667 ( 0.199 1.240 0.240) 1.279 3.705 ( -0.649 -2.047 -0.775) 2.283 3.792 ( 7.284 10.853 -2.537) 13.315 3.977 ( 3.748 -4.531 -4.092) 7.164 4.061 ( -0.542 1.198 -5.871) 6.016 4.132 ( 0.190 -2.859 -4.132) 5.029 4.146 ( 4.497 11.190 5.082) 13.087 4.263 ( 0.581 3.401 3.385) 4.833 4.352 ( 1.294 4.588 1.594) 5.026 4.376 ( 2.732 -5.170 2.952) 6.550 4.394 ( -1.005 -2.733 1.771) 3.408 4.441 ( -2.600 -1.397 0.997) 3.115 4.510 ( -2.590 -2.900 6.238) 7.351 4.527 ( -2.212 -3.820 5.576) 7.111 4.814 ( 2.408 5.907 0.562) 6.404 4.911 ( 1.638 -3.953 -3.044) 5.251 4.967 ( -0.844 4.009 -7.623) 8.654 5.017 ( 0.252 -0.893 -8.061) 8.114 5.161 ( -0.662 1.820 1.055) 2.206 5.169 ( -1.593 0.919 1.825) 2.591 5.263 ( -5.369 4.036 0.122) 6.718 5.319 ( -5.272 -1.404 -1.403) 5.634 5.420 ( 1.671 3.220 2.063) 4.173 5.496 ( 1.291 -3.972 1.995) 4.629 5.571 ( -4.483 1.217 4.150) 6.230 5.593 ( -3.357 -0.728 2.469) 4.231 5.773 ( 2.219 6.204 1.289) 6.714 5.858 ( -0.813 13.899 1.201) 13.974 5.883 ( 4.809 -4.813 -1.111) 6.894 6.168 ( -5.689 -16.220 -2.482) 17.367 11.637 ( 3.445 1.215 0.246) 3.661 11.668 ( 3.024 -0.979 -0.527) 3.222 11.693 ( 2.164 -0.334 0.536) 2.254 11.732 ( 1.709 -3.267 -0.640) 3.742 12.001 ( 1.457 4.355 1.054) 4.712 12.059 ( 0.546 -1.370 0.479) 1.551 12.090 ( -2.044 4.468 -0.899) 4.995 12.149 ( -3.992 -1.713 -0.915) 4.439 15.844 ( 0.861 2.272 -0.902) 2.592 15.863 ( 0.868 0.614 -0.566) 1.204 15.920 ( -1.072 -0.299 1.770) 2.091 15.930 ( -1.964 -1.169 0.254) 2.300 16.061 ( -1.024 2.637 0.179) 2.834 16.097 ( -2.873 3.938 0.305) 4.884 16.130 ( -0.754 -3.911 1.242) 4.172 16.190 ( -3.498 -4.953 0.150) 6.066 16.426 ( 2.476 3.011 -0.957) 4.014 16.455 ( 2.165 1.182 -2.572) 3.564 16.552 ( -0.832 -1.105 1.505) 2.044 16.564 ( -0.684 -1.303 0.495) 1.553 26.814 ( 0.462 0.189 0.070) 0.504 26.820 ( 0.416 -0.193 -0.134) 0.478 26.831 ( -0.043 -0.042 0.372) 0.376 26.837 ( -0.091 -0.467 0.155) 0.500 29.044 ( 1.821 1.760 -0.099) 2.535 29.093 ( 1.016 -2.884 -0.935) 3.198 29.134 ( -1.675 0.560 2.975) 3.460 29.170 ( -2.016 -2.807 2.273) 4.137 29.486 ( 4.953 3.988 -0.540) 6.382 29.560 ( 3.469 -0.584 -3.143) 4.717 29.671 ( -0.161 -2.134 1.600) 2.671 29.758 ( -2.265 -8.055 -1.382) 8.481 30.498 ( 14.784 5.736 1.017) 15.890 30.565 ( 15.645 -1.110 -0.531) 15.694 31.278 ( -18.469 6.641 0.384) 19.630 31.364 ( -18.918 -1.836 -1.560) 19.070======================= Grid point 94 (40/60) =======================q-point: (-0.50 0.44 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.894 ( -1.927 6.268 1.978) 6.849 1.894 ( 1.927 6.268 1.978) 6.849 1.990 ( -5.330 -3.368 0.288) 6.312 1.990 ( 5.330 -3.368 0.288) 6.312 2.379 ( -5.193 10.801 -0.850) 12.015 2.379 ( 5.193 10.801 -0.850) 12.015 2.559 ( -3.248 -6.711 -4.044) 8.482 2.559 ( 3.248 -6.711 -4.044) 8.482 2.841 ( -11.018 6.075 -2.063) 12.750 2.841 ( 11.018 6.075 -2.063) 12.750 2.903 ( -12.039 0.742 -2.238) 12.268 2.903 ( 12.039 0.742 -2.238) 12.268 3.133 ( -1.950 -0.452 -0.935) 2.209 3.133 ( 1.950 -0.452 -0.935) 2.209 3.179 ( -1.373 -5.555 -0.805) 5.778 3.179 ( 1.373 -5.555 -0.805) 5.778 3.631 ( -3.409 -0.096 1.448) 3.705 3.631 ( 3.409 -0.096 1.448) 3.705 3.667 ( -3.553 -2.636 -0.043) 4.424 3.667 ( 3.553 -2.636 -0.043) 4.424 3.952 ( -6.235 7.507 -0.505) 9.771 3.952 ( 6.235 7.507 -0.505) 9.771 4.090 ( -3.427 -6.331 -6.747) 9.867 4.090 ( 3.427 -6.331 -6.747) 9.867 4.239 ( -2.960 11.690 5.036) 13.069 4.239 ( 2.960 11.690 5.036) 13.069 4.377 ( -1.295 2.349 1.669) 3.159 4.377 ( 1.295 2.349 1.669) 3.159 4.420 ( -1.386 0.181 -0.082) 1.400 4.420 ( 1.386 0.181 -0.082) 1.400 4.479 ( -0.814 -9.866 6.165) 11.662 4.479 ( 0.814 -9.866 6.165) 11.662 4.885 ( -4.016 5.971 -2.655) 7.670 4.885 ( 4.016 5.971 -2.655) 7.670 4.974 ( -2.983 -3.082 -6.109) 7.465 4.974 ( 2.983 -3.082 -6.109) 7.465 5.182 ( -2.479 2.789 1.218) 3.925 5.182 ( 2.479 2.789 1.218) 3.925 5.216 ( -4.212 -0.861 0.398) 4.318 5.216 ( 4.212 -0.861 0.398) 4.318 5.473 ( -3.468 2.498 3.661) 5.628 5.473 ( 3.468 2.498 3.661) 5.628 5.533 ( -1.997 -2.716 1.560) 3.715 5.533 ( 1.997 -2.716 1.560) 3.715 5.820 ( -2.118 10.035 1.284) 10.336 5.820 ( 2.118 10.035 1.284) 10.336 6.023 ( -7.224 -10.522 -2.138) 12.941 6.023 ( 7.224 -10.522 -2.138) 12.941 11.691 ( -1.071 1.375 0.249) 1.761 11.691 ( 1.071 1.375 0.249) 1.761 11.737 ( -1.349 -3.141 -0.148) 3.421 11.737 ( 1.349 -3.141 -0.148) 3.421 12.047 ( -2.266 3.021 -0.141) 3.779 12.047 ( 2.266 3.021 -0.141) 3.779 12.076 ( -1.681 -0.037 -0.385) 1.725 12.076 ( 1.681 -0.037 -0.385) 1.725 15.867 ( -0.894 2.379 -0.200) 2.550 15.867 ( 0.894 2.379 -0.200) 2.550 15.906 ( -0.092 -1.487 0.835) 1.707 15.906 ( 0.092 -1.487 0.835) 1.707 16.055 ( -0.786 3.125 0.379) 3.244 16.055 ( 0.786 3.125 0.379) 3.244 16.134 ( -1.355 -4.572 0.723) 4.823 16.134 ( 1.355 -4.572 0.723) 4.823 16.468 ( -1.040 4.382 -0.513) 4.533 16.468 ( 1.040 4.382 -0.513) 4.533 16.549 ( -0.573 -3.506 -0.723) 3.626 16.549 ( 0.573 -3.506 -0.723) 3.626 26.823 ( -0.235 0.372 0.139) 0.462 26.823 ( 0.235 0.372 0.139) 0.462 26.833 ( -0.248 -0.613 0.086) 0.667 26.833 ( 0.248 -0.613 0.086) 0.667 29.088 ( -1.981 1.238 1.647) 2.858 29.088 ( 1.981 1.238 1.647) 2.858 29.129 ( -1.636 -2.812 0.920) 3.381 29.129 ( 1.636 -2.812 0.920) 3.381 29.570 ( -2.413 4.711 -1.437) 5.484 29.570 ( 2.413 4.711 -1.437) 5.484 29.703 ( -2.720 -8.361 -1.253) 8.881 29.703 ( 2.720 -8.361 -1.253) 8.881 30.863 ( -17.857 6.652 0.781) 19.072 30.863 ( 17.857 6.652 0.781) 19.072 30.946 ( -18.165 -1.599 -0.586) 18.244 30.946 ( 18.165 -1.599 -0.586) 18.244======================= Grid point 126 (41/60) =======================q-point: ( 0.00 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.947 ( 0.000 0.000 20.766) 20.766 1.023 ( 0.000 0.000 22.213) 22.213 1.324 ( 0.000 0.000 -16.841) 16.841 1.370 ( 0.000 0.000 -8.002) 8.002 1.947 ( 0.000 0.000 28.927) 28.927 2.065 ( 0.000 0.000 0.512) 0.512 2.066 ( 0.000 0.000 0.640) 0.640 2.449 ( 0.000 0.000 -16.456) 16.456 2.521 ( 0.000 0.000 10.990) 10.990 2.781 ( 0.000 0.000 7.894) 7.894 2.797 ( 0.000 0.000 -11.695) 11.695 2.915 ( 0.000 0.000 4.937) 4.937 2.933 ( 0.000 0.000 -7.101) 7.101 2.973 ( 0.000 0.000 -0.459) 0.459 3.078 ( 0.000 0.000 -3.204) 3.204 3.140 ( 0.000 0.000 -5.823) 5.823 3.385 ( 0.000 0.000 8.652) 8.652 3.391 ( 0.000 0.000 0.640) 0.640 3.393 ( 0.000 0.000 1.888) 1.888 3.434 ( 0.000 0.000 -4.338) 4.338 3.490 ( 0.000 0.000 -1.666) 1.666 3.654 ( 0.000 0.000 -11.250) 11.250 3.750 ( 0.000 0.000 3.362) 3.362 3.799 ( 0.000 0.000 -1.504) 1.504 4.010 ( 0.000 0.000 8.272) 8.272 4.172 ( 0.000 0.000 -7.282) 7.282 4.238 ( 0.000 0.000 6.218) 6.218 4.372 ( 0.000 0.000 -6.725) 6.725 4.421 ( 0.000 0.000 -0.234) 0.234 4.422 ( 0.000 0.000 -0.208) 0.208 4.585 ( 0.000 0.000 5.718) 5.718 4.687 ( 0.000 0.000 -3.440) 3.440 4.827 ( 0.000 0.000 2.623) 2.623 4.894 ( 0.000 0.000 -5.000) 5.000 5.084 ( 0.000 0.000 2.865) 2.865 5.100 ( 0.000 0.000 4.715) 4.715 5.143 ( 0.000 0.000 -3.034) 3.034 5.204 ( 0.000 0.000 3.555) 3.555 5.212 ( 0.000 0.000 4.427) 4.427 5.214 ( 0.000 0.000 -6.018) 6.018 5.271 ( 0.000 0.000 -2.698) 2.698 5.291 ( 0.000 0.000 -3.384) 3.384 5.370 ( 0.000 0.000 11.229) 11.229 5.439 ( 0.000 0.000 1.442) 1.442 5.484 ( 0.000 0.000 -2.819) 2.819 5.618 ( 0.000 0.000 -12.687) 12.687 6.910 ( 0.000 0.000 18.534) 18.534 7.240 ( 0.000 0.000 -14.049) 14.049 11.458 ( 0.000 0.000 1.066) 1.066 11.480 ( 0.000 0.000 -1.018) 1.018 11.688 ( 0.000 0.000 2.731) 2.731 11.747 ( 0.000 0.000 -2.927) 2.927 11.774 ( 0.000 0.000 1.575) 1.575 11.805 ( 0.000 0.000 -1.473) 1.473 12.156 ( 0.000 0.000 5.394) 5.394 12.259 ( 0.000 0.000 -4.613) 4.613 15.921 ( 0.000 0.000 -0.087) 0.087 15.929 ( 0.000 0.000 -0.734) 0.734 16.022 ( 0.000 0.000 0.712) 0.712 16.038 ( 0.000 0.000 -0.828) 0.828 16.073 ( 0.000 0.000 1.256) 1.256 16.084 ( 0.000 0.000 0.600) 0.600 16.179 ( 0.000 0.000 1.287) 1.287 16.184 ( 0.000 0.000 -1.377) 1.377 16.186 ( 0.000 0.000 -2.170) 2.170 16.204 ( 0.000 0.000 -1.146) 1.146 16.581 ( 0.000 0.000 3.666) 3.666 16.633 ( 0.000 0.000 -1.604) 1.604 26.841 ( 0.000 0.000 -0.036) 0.036 26.841 ( 0.000 0.000 -0.072) 0.072 26.853 ( 0.000 0.000 0.709) 0.709 26.867 ( 0.000 0.000 -0.683) 0.683 29.080 ( 0.000 0.000 3.732) 3.732 29.145 ( 0.000 0.000 -2.263) 2.263 29.338 ( 0.000 0.000 1.883) 1.883 29.403 ( 0.000 0.000 -4.452) 4.452 29.595 ( 0.000 0.000 0.432) 0.432 29.604 ( 0.000 0.000 -0.496) 0.496 29.685 ( 0.000 0.000 0.237) 0.237 29.690 ( 0.000 0.000 -0.189) 0.189 30.087 ( 0.000 0.000 11.254) 11.254 30.310 ( 0.000 0.000 -10.655) 10.655 31.442 ( 0.000 0.000 3.705) 3.705 31.509 ( 0.000 0.000 -2.934) 2.934======================= Grid point 127 (42/60) =======================q-point: ( 0.17 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 75Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.071 ( 6.049 0.000 20.427) 21.304 1.119 ( 14.105 0.000 16.991) 22.083 1.434 ( 9.297 0.000 -13.910) 16.731 1.437 ( 5.751 0.000 -14.015) 15.149 2.001 ( -4.176 0.000 2.947) 5.111 2.061 ( -1.721 0.000 -2.682) 3.187 2.131 ( 13.273 0.000 21.612) 25.363 2.412 ( -4.227 0.000 -2.646) 4.987 2.479 ( -4.236 0.000 6.229) 7.533 2.706 ( -0.613 0.000 2.344) 2.423 2.876 ( -3.513 0.000 4.789) 5.940 2.886 ( -1.480 0.000 -5.315) 5.517 2.936 ( -3.398 0.000 -0.792) 3.489 2.938 ( 6.627 0.000 -10.005) 12.000 3.078 ( 0.474 0.000 -0.272) 0.546 3.164 ( 3.726 0.000 -5.493) 6.637 3.393 ( 0.159 0.000 2.407) 2.412 3.439 ( 3.769 0.000 3.198) 4.942 3.456 ( 4.226 0.000 0.212) 4.232 3.485 ( 0.437 0.000 3.839) 3.864 3.503 ( 5.115 0.000 -4.027) 6.510 3.692 ( 3.055 0.000 -10.203) 10.650 3.761 ( 0.254 0.000 2.573) 2.585 3.808 ( 0.590 0.000 -2.109) 2.190 4.008 ( -0.050 0.000 7.466) 7.467 4.167 ( -0.615 0.000 -7.604) 7.629 4.260 ( 1.894 0.000 5.509) 5.825 4.357 ( -5.254 0.000 4.623) 6.998 4.376 ( 0.358 0.000 -5.839) 5.850 4.454 ( -1.456 0.000 -4.013) 4.269 4.562 ( -2.197 0.000 3.035) 3.747 4.593 ( -5.714 0.000 -0.060) 5.714 4.781 ( -0.938 0.000 1.773) 2.006 4.866 ( -1.530 0.000 -5.791) 5.989 5.066 ( -1.476 0.000 2.421) 2.835 5.083 ( -1.348 0.000 2.261) 2.633 5.133 ( -4.451 0.000 4.325) 6.206 5.143 ( -0.190 0.000 -0.688) 0.714 5.197 ( -1.308 0.000 2.934) 3.213 5.210 ( -0.223 0.000 -4.262) 4.268 5.224 ( -4.851 0.000 -4.407) 6.553 5.273 ( -1.516 0.000 -3.234) 3.571 5.435 ( 1.341 0.000 3.159) 3.432 5.503 ( 6.945 0.000 3.011) 7.570 5.523 ( 5.855 0.000 7.078) 9.186 5.805 ( 13.660 0.000 -13.873) 19.469 6.780 ( -10.995 0.000 18.533) 21.549 7.106 ( -10.856 0.000 -13.951) 17.677 11.480 ( 1.913 0.000 1.082) 2.198 11.501 ( 1.936 0.000 -1.028) 2.192 11.714 ( 2.101 0.000 3.395) 3.993 11.754 ( -1.769 0.000 1.516) 2.329 11.784 ( -1.871 0.000 -1.423) 2.351 11.786 ( 2.853 0.000 -3.673) 4.650 12.174 ( 1.325 0.000 6.071) 6.214 12.284 ( 1.699 0.000 -4.740) 5.035 15.861 ( -2.111 0.000 1.763) 2.751 15.908 ( -1.887 0.000 -2.845) 3.414 16.034 ( 0.990 0.000 0.584) 1.150 16.047 ( 0.743 0.000 -0.683) 1.010 16.089 ( -0.053 0.000 3.519) 3.519 16.144 ( -2.390 0.000 -0.931) 2.565 16.159 ( 4.187 0.000 -0.071) 4.188 16.172 ( -0.665 0.000 1.150) 1.328 16.194 ( -0.906 0.000 -1.027) 1.369 16.217 ( 2.268 0.000 -4.935) 5.431 16.555 ( -1.684 0.000 3.240) 3.652 16.610 ( -1.898 0.000 -2.077) 2.814 26.834 ( -0.340 0.000 0.231) 0.410 26.838 ( -0.244 0.000 -0.182) 0.305 26.863 ( 0.564 0.000 0.329) 0.652 26.870 ( 0.257 0.000 -0.373) 0.453 29.086 ( 1.471 0.000 4.280) 4.526 29.172 ( 2.071 0.000 -3.976) 4.483 29.375 ( 3.012 0.000 4.917) 5.766 29.485 ( 4.828 0.000 -6.038) 7.731 29.600 ( 0.494 0.000 0.420) 0.649 29.610 ( 0.472 0.000 -0.489) 0.680 29.680 ( -0.528 0.000 0.268) 0.592 29.684 ( -0.482 0.000 -0.214) 0.527 30.133 ( 4.504 0.000 10.511) 11.436 30.345 ( 3.261 0.000 -10.229) 10.737 31.266 ( -15.052 0.000 5.204) 15.926 31.330 ( -13.146 0.000 -1.311) 13.211======================= Grid point 128 (43/60) =======================q-point: ( 0.33 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 80Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.308 ( 15.081 0.000 12.074) 19.319 1.462 ( 15.714 0.000 11.555) 19.505 1.606 ( 9.358 0.000 -16.112) 18.633 1.669 ( 11.102 0.000 -7.704) 13.513 1.897 ( -5.415 0.000 4.003) 6.734 2.002 ( -3.716 0.000 -5.246) 6.429 2.104 ( -13.179 0.000 3.612) 13.665 2.235 ( -12.688 0.000 -8.694) 15.381 2.643 ( 16.334 0.000 16.446) 23.179 2.773 ( 6.464 0.000 3.967) 7.584 2.782 ( -4.155 0.000 3.506) 5.436 2.836 ( -5.295 0.000 -1.498) 5.502 2.896 ( 1.203 0.000 1.637) 2.031 3.019 ( 1.201 0.000 -7.871) 7.962 3.150 ( 6.088 0.000 6.915) 9.213 3.309 ( 8.432 0.000 -5.334) 9.977 3.401 ( 0.649 0.000 2.268) 2.359 3.446 ( -1.143 0.000 -1.890) 2.208 3.511 ( -0.020 0.000 2.552) 2.552 3.589 ( 6.596 0.000 9.277) 11.384 3.592 ( 0.031 0.000 -3.476) 3.476 3.744 ( -0.620 0.000 2.223) 2.307 3.748 ( 1.099 0.000 -3.941) 4.091 3.825 ( 1.288 0.000 -6.093) 6.228 4.020 ( 1.594 0.000 2.196) 2.714 4.128 ( -11.450 0.000 7.346) 13.604 4.139 ( -2.108 0.000 -7.425) 7.718 4.312 ( 2.660 0.000 3.284) 4.227 4.328 ( -9.126 0.000 -10.807) 14.145 4.381 ( -0.123 0.000 -3.388) 3.390 4.530 ( 2.454 0.000 5.454) 5.981 4.603 ( 1.711 0.000 -0.354) 1.748 4.776 ( -0.544 0.000 0.395) 0.672 4.838 ( -2.172 0.000 -4.445) 4.947 5.034 ( -1.166 0.000 1.034) 1.559 5.050 ( -1.533 0.000 0.052) 1.534 5.053 ( -1.918 0.000 3.291) 3.809 5.105 ( -4.698 0.000 -1.630) 4.973 5.134 ( -0.476 0.000 1.774) 1.837 5.162 ( -1.759 0.000 2.242) 2.850 5.208 ( 0.037 0.000 -3.065) 3.065 5.238 ( -1.505 0.000 -3.010) 3.365 5.485 ( 2.597 0.000 1.821) 3.172 5.545 ( 0.607 0.000 -3.385) 3.439 5.787 ( 14.157 0.000 17.237) 22.305 6.121 ( 14.222 0.000 -13.997) 19.954 6.494 ( -13.738 0.000 16.347) 21.353 6.827 ( -14.287 0.000 -15.757) 21.270 11.536 ( 3.156 0.000 1.112) 3.346 11.558 ( 3.106 0.000 -1.011) 3.266 11.702 ( -2.898 0.000 1.318) 3.184 11.729 ( -3.156 0.000 -1.277) 3.404 11.768 ( 2.696 0.000 3.522) 4.435 11.833 ( 0.890 0.000 -2.634) 2.780 12.211 ( 2.230 0.000 5.063) 5.532 12.301 ( -0.506 0.000 -3.591) 3.626 15.853 ( 1.247 0.000 1.293) 1.796 15.891 ( 0.288 0.000 -2.180) 2.199 16.053 ( -2.569 0.000 2.680) 3.713 16.061 ( 1.440 0.000 0.272) 1.465 16.067 ( 1.084 0.000 -0.317) 1.129 16.069 ( -3.896 0.000 1.115) 4.053 16.153 ( -0.939 0.000 0.744) 1.198 16.168 ( -1.423 0.000 -0.677) 1.576 16.240 ( 2.844 0.000 -1.744) 3.336 16.267 ( 1.647 0.000 -4.643) 4.926 16.532 ( -0.335 0.000 1.484) 1.521 16.567 ( -1.768 0.000 -1.873) 2.576 26.830 ( -0.081 0.000 0.206) 0.222 26.833 ( -0.201 0.000 -0.127) 0.238 26.873 ( 0.361 0.000 0.060) 0.366 26.876 ( 0.206 0.000 -0.220) 0.302 29.149 ( 3.970 0.000 4.729) 6.174 29.230 ( 2.582 0.000 -2.560) 3.636 29.423 ( 1.380 0.000 5.207) 5.387 29.534 ( -0.764 0.000 -5.235) 5.291 29.615 ( 0.828 0.000 0.363) 0.904 29.623 ( 0.727 0.000 -0.448) 0.854 29.664 ( -0.802 0.000 0.321) 0.864 29.670 ( -0.797 0.000 -0.250) 0.835 30.287 ( 9.366 0.000 7.491) 11.993 30.450 ( 6.012 0.000 -8.263) 10.218 30.925 ( -14.305 0.000 6.171) 15.579 31.019 ( -14.277 0.000 -3.268) 14.646======================= Grid point 129 (44/60) =======================q-point: (-0.50 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 50Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.650 ( -13.031 0.000 1.852) 13.162 1.650 ( 13.031 0.000 1.852) 13.162 1.737 ( -9.077 0.000 8.114) 12.175 1.737 ( 9.077 0.000 8.114) 12.175 1.885 ( -7.320 0.000 -6.342) 9.685 1.885 ( 7.320 0.000 -6.342) 9.685 1.963 ( -8.843 0.000 -8.928) 12.566 1.963 ( 8.843 0.000 -8.928) 12.566 2.748 ( -1.713 0.000 0.049) 1.714 2.748 ( 1.713 0.000 0.049) 1.714 2.836 ( -3.476 0.000 3.814) 5.160 2.836 ( 3.476 0.000 3.814) 5.160 2.995 ( -4.749 0.000 -0.686) 4.798 2.995 ( 4.749 0.000 -0.686) 4.798 3.356 ( -11.832 0.000 11.211) 16.300 3.356 ( 11.832 0.000 11.211) 16.300 3.421 ( -1.088 0.000 0.793) 1.346 3.421 ( 1.088 0.000 0.793) 1.346 3.488 ( -5.593 0.000 -1.210) 5.723 3.488 ( 5.593 0.000 -1.210) 5.723 3.713 ( -4.197 0.000 4.845) 6.410 3.713 ( 4.197 0.000 4.845) 6.410 3.788 ( -4.085 0.000 2.057) 4.573 3.788 ( 4.085 0.000 2.057) 4.573 4.078 ( -3.260 0.000 -5.037) 6.000 4.078 ( 3.260 0.000 -5.037) 6.000 4.116 ( -8.828 0.000 -11.358) 14.385 4.116 ( 8.828 0.000 -11.358) 14.385 4.362 ( -1.717 0.000 0.032) 1.718 4.362 ( 1.717 0.000 0.032) 1.718 4.602 ( -2.648 0.000 4.645) 5.347 4.602 ( 2.648 0.000 4.645) 5.347 4.777 ( -2.001 0.000 -3.413) 3.956 4.777 ( 2.001 0.000 -3.413) 3.956 5.026 ( -0.474 0.000 -0.286) 0.554 5.026 ( 0.474 0.000 -0.286) 0.554 5.049 ( -0.959 0.000 1.424) 1.717 5.049 ( 0.959 0.000 1.424) 1.717 5.133 ( -0.650 0.000 2.486) 2.570 5.133 ( 0.650 0.000 2.486) 2.570 5.214 ( -0.644 0.000 -2.835) 2.907 5.214 ( 0.644 0.000 -2.835) 2.907 5.533 ( -1.611 0.000 -1.123) 1.964 5.533 ( 1.611 0.000 -1.123) 1.964 6.107 ( -14.504 0.000 17.392) 22.646 6.107 ( 14.504 0.000 17.392) 22.646 6.509 ( -14.321 0.000 -15.881) 21.384 6.509 ( 14.321 0.000 -15.881) 21.384 11.600 ( -1.476 0.000 0.533) 1.569 11.600 ( 1.476 0.000 0.533) 1.569 11.664 ( -1.593 0.000 -0.464) 1.659 11.664 ( 1.593 0.000 -0.464) 1.659 11.820 ( -1.819 0.000 1.269) 2.218 11.820 ( 1.819 0.000 1.269) 2.218 12.265 ( -2.471 0.000 0.105) 2.473 12.265 ( 2.471 0.000 0.105) 2.473 15.891 ( -1.243 0.000 -0.220) 1.262 15.891 ( 1.243 0.000 -0.220) 1.262 16.014 ( -0.129 0.000 1.794) 1.798 16.014 ( 0.129 0.000 1.794) 1.798 16.083 ( -0.102 0.000 0.021) 0.104 16.083 ( 0.102 0.000 0.021) 0.104 16.143 ( -0.427 0.000 -0.011) 0.427 16.143 ( 0.427 0.000 -0.011) 0.427 16.278 ( -0.623 0.000 -3.073) 3.136 16.278 ( 0.623 0.000 -3.073) 3.136 16.539 ( -0.873 0.000 -0.466) 0.990 16.539 ( 0.873 0.000 -0.466) 0.990 26.830 ( -0.093 0.000 0.044) 0.103 26.830 ( 0.093 0.000 0.044) 0.103 26.878 ( -0.076 0.000 -0.133) 0.153 26.878 ( 0.076 0.000 -0.133) 0.153 29.231 ( -2.740 0.000 3.422) 4.384 29.231 ( 2.740 0.000 3.422) 4.384 29.474 ( -3.604 0.000 -1.555) 3.925 29.474 ( 3.604 0.000 -1.555) 3.925 29.631 ( -0.391 0.000 0.029) 0.392 29.631 ( 0.391 0.000 0.029) 0.392 29.655 ( -0.331 0.000 -0.036) 0.333 29.655 ( 0.331 0.000 -0.036) 0.333 30.490 ( -6.645 0.000 1.671) 6.852 30.490 ( 6.645 0.000 1.671) 6.852 30.779 ( -5.099 0.000 -1.626) 5.352 30.779 ( 5.099 0.000 -1.626) 5.352======================= Grid point 133 (45/60) =======================q-point: ( 0.00 0.11 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.121 ( 0.000 13.385 19.386) 23.558 1.135 ( 0.000 10.914 18.178) 21.203 1.443 ( 0.000 7.417 -8.804) 11.512 1.491 ( 0.000 13.718 -15.981) 21.061 1.955 ( 0.000 2.369 10.991) 11.244 2.059 ( 0.000 -0.460 -2.067) 2.117 2.232 ( 0.000 14.117 15.084) 20.660 2.515 ( 0.000 5.250 -9.135) 10.536 2.517 ( 0.000 0.077 10.406) 10.406 2.766 ( 0.000 -0.379 6.827) 6.837 2.771 ( 0.000 -0.709 -7.243) 7.278 2.897 ( 0.000 1.602 -6.333) 6.533 2.991 ( 0.000 -1.173 -4.680) 4.825 2.997 ( 0.000 -0.264 -8.209) 8.214 3.124 ( 0.000 7.059 5.725) 9.088 3.255 ( 0.000 10.932 -5.800) 12.375 3.341 ( 0.000 -2.346 1.280) 2.673 3.376 ( 0.000 -2.653 -3.010) 4.012 3.463 ( 0.000 5.299 9.578) 10.946 3.556 ( 0.000 11.042 0.844) 11.074 3.599 ( 0.000 8.481 -2.763) 8.920 3.679 ( 0.000 1.870 -10.085) 10.257 3.723 ( 0.000 -1.890 3.903) 4.337 3.795 ( 0.000 0.729 -3.531) 3.605 4.079 ( 0.000 6.144 8.876) 10.795 4.248 ( 0.000 2.603 1.209) 2.870 4.275 ( 0.000 7.779 -3.676) 8.603 4.385 ( 0.000 -1.706 0.545) 1.791 4.394 ( 0.000 1.570 -6.282) 6.476 4.398 ( 0.000 -1.957 -0.562) 2.036 4.571 ( 0.000 -0.792 3.896) 3.975 4.656 ( 0.000 -2.793 -3.541) 4.510 4.809 ( 0.000 -1.980 2.159) 2.930 4.858 ( 0.000 -3.768 -3.561) 5.184 4.968 ( 0.000 -10.127 6.683) 12.133 5.082 ( 0.000 -5.303 -3.843) 6.549 5.137 ( 0.000 3.732 2.552) 4.521 5.180 ( 0.000 -1.363 1.092) 1.746 5.223 ( 0.000 1.949 4.576) 4.974 5.244 ( 0.000 2.433 -3.033) 3.888 5.317 ( 0.000 2.113 -3.254) 3.880 5.333 ( 0.000 3.871 -3.178) 5.008 5.378 ( 0.000 1.252 9.702) 9.783 5.460 ( 0.000 1.971 1.417) 2.427 5.499 ( 0.000 1.220 -2.313) 2.615 5.599 ( 0.000 -1.697 -11.471) 11.596 6.802 ( 0.000 -10.028 17.629) 20.281 7.111 ( 0.000 -11.526 -12.626) 17.096 11.491 ( 0.000 2.881 0.232) 2.890 11.496 ( 0.000 1.114 -0.154) 1.124 11.694 ( 0.000 1.334 1.768) 2.215 11.723 ( 0.000 -1.061 -0.630) 1.234 11.802 ( 0.000 1.554 -0.606) 1.668 11.810 ( 0.000 -0.085 -0.970) 0.973 12.151 ( 0.000 -0.253 5.686) 5.692 12.258 ( 0.000 -0.009 -4.693) 4.693 15.802 ( 0.000 -5.369 0.960) 5.454 15.832 ( 0.000 -5.039 -1.899) 5.385 16.019 ( 0.000 -0.552 1.770) 1.854 16.047 ( 0.000 -1.007 -0.910) 1.358 16.142 ( 0.000 -1.973 -0.027) 1.973 16.147 ( 0.000 -1.314 0.287) 1.345 16.203 ( 0.000 3.040 -0.293) 3.054 16.211 ( 0.000 7.018 -0.367) 7.027 16.258 ( 0.000 5.391 -0.619) 5.427 16.262 ( 0.000 9.556 -1.281) 9.641 16.544 ( 0.000 -3.404 3.892) 5.170 16.600 ( 0.000 -3.187 -1.754) 3.638 26.836 ( 0.000 -0.528 -0.009) 0.528 26.837 ( 0.000 -0.415 -0.086) 0.424 26.850 ( 0.000 -0.256 0.696) 0.742 26.863 ( 0.000 -0.398 -0.515) 0.651 29.059 ( 0.000 -1.852 4.174) 4.566 29.136 ( 0.000 -0.865 -2.965) 3.089 29.309 ( 0.000 -2.374 2.198) 3.235 29.379 ( 0.000 -1.844 -4.265) 4.647 29.542 ( 0.000 -4.626 3.692) 5.918 29.589 ( 0.000 -1.950 -1.231) 2.306 29.752 ( 0.000 6.178 0.433) 6.193 29.758 ( 0.000 5.951 -0.133) 5.953 30.072 ( 0.000 -1.975 9.281) 9.489 30.267 ( 0.000 -4.450 -9.594) 10.576 31.458 ( 0.000 2.033 4.393) 4.841 31.561 ( 0.000 4.736 -6.249) 7.841======================= Grid point 134 (46/60) =======================q-point: ( 0.17 0.11 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 135Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.172 ( 4.799 10.480 17.392) 20.865 1.246 ( 10.238 10.335 15.347) 21.146 1.530 ( 7.306 8.480 -12.440) 16.734 1.586 ( 8.030 12.386 -13.223) 19.817 1.992 ( -1.159 -0.189 2.696) 2.940 2.028 ( -1.141 -0.577 -0.296) 1.313 2.300 ( 5.033 12.444 11.880) 17.926 2.453 ( -3.676 4.029 2.376) 5.949 2.482 ( -3.753 1.003 5.669) 6.872 2.709 ( 0.257 0.524 1.184) 1.320 2.839 ( 1.776 -0.162 -0.504) 1.853 2.895 ( -1.250 1.482 -2.342) 3.041 2.980 ( -0.128 0.174 -5.769) 5.773 3.046 ( 2.078 3.550 -9.663) 10.502 3.105 ( 1.627 6.536 7.005) 9.718 3.213 ( 0.073 5.800 -3.169) 6.610 3.387 ( 1.757 -0.964 0.823) 2.167 3.423 ( 2.739 -0.067 -1.852) 3.307 3.521 ( 4.406 4.687 8.957) 11.027 3.563 ( 0.705 7.065 0.580) 7.124 3.599 ( 0.364 7.697 -2.849) 8.216 3.718 ( 2.927 1.690 -8.083) 8.762 3.746 ( 1.668 -0.573 2.039) 2.696 3.816 ( 1.799 1.975 -4.427) 5.170 4.066 ( -0.974 4.909 8.499) 9.863 4.246 ( -1.160 5.630 -7.292) 9.285 4.285 ( 1.323 3.495 3.564) 5.164 4.349 ( -3.498 0.566 1.814) 3.981 4.397 ( 0.126 1.624 -2.607) 3.074 4.450 ( 2.106 -1.276 -4.182) 4.853 4.533 ( -4.373 -3.624 1.875) 5.982 4.546 ( -6.076 -1.564 0.315) 6.282 4.772 ( -1.303 -0.596 1.298) 1.933 4.831 ( -1.508 -3.054 -4.219) 5.422 4.926 ( -2.667 -9.318 5.465) 11.127 5.046 ( -3.299 -5.206 -5.298) 8.127 5.135 ( -1.917 1.314 1.702) 2.881 5.169 ( 0.503 2.037 2.316) 3.125 5.197 ( -2.764 1.859 -2.178) 3.980 5.246 ( 0.494 1.458 -1.057) 1.868 5.294 ( -0.342 5.641 1.614) 5.877 5.356 ( -1.053 5.215 -2.746) 5.987 5.445 ( 0.810 0.993 3.100) 3.354 5.498 ( 9.125 -0.996 12.348) 15.386 5.517 ( 1.415 0.565 -3.781) 4.076 5.763 ( 12.547 -3.932 -12.969) 18.468 6.681 ( -10.328 -9.231 17.969) 22.688 6.997 ( -9.632 -10.054 -13.322) 19.270 11.516 ( 2.193 3.205 0.470) 3.912 11.526 ( 2.579 1.996 -0.404) 3.286 11.711 ( 1.480 0.537 2.327) 2.810 11.741 ( 0.827 -0.759 -0.177) 1.136 11.802 ( -0.746 1.263 -0.508) 1.553 11.816 ( 1.009 1.975 -2.171) 3.103 12.153 ( 0.260 -1.604 6.167) 6.378 12.265 ( 0.364 -1.666 -4.738) 5.036 15.807 ( 0.553 -3.823 0.901) 3.966 15.838 ( 0.595 -4.198 -2.030) 4.701 15.995 ( -1.385 -1.498 2.085) 2.917 16.027 ( -1.207 -0.803 -1.114) 1.828 16.113 ( -2.390 -1.592 0.805) 2.982 16.129 ( -1.787 -1.979 -0.388) 2.694 16.193 ( -0.566 2.905 0.469) 2.996 16.206 ( -0.920 3.678 -0.512) 3.825 16.285 ( 2.999 8.258 0.610) 8.806 16.321 ( 3.213 7.614 -3.197) 8.861 16.522 ( -1.486 -3.131 3.127) 4.668 16.578 ( -1.833 -3.103 -2.202) 4.224 26.831 ( -0.288 -0.302 0.188) 0.458 26.834 ( -0.167 -0.413 -0.116) 0.461 26.859 ( 0.526 -0.360 0.330) 0.718 26.866 ( 0.231 -0.434 -0.281) 0.566 29.073 ( 1.715 -1.273 4.335) 4.833 29.161 ( 2.001 -1.080 -4.118) 4.704 29.335 ( 1.771 -3.172 4.435) 5.733 29.433 ( 2.648 -3.813 -5.210) 6.978 29.543 ( 0.602 -4.866 3.235) 5.874 29.584 ( -0.067 -2.646 -1.167) 2.893 29.762 ( 0.850 6.947 0.454) 7.014 29.770 ( 1.021 7.057 -0.196) 7.133 30.133 ( 5.629 -0.677 8.400) 10.134 30.312 ( 4.250 -3.546 -8.965) 10.536 31.300 ( -13.709 2.959 3.977) 14.577 31.374 ( -14.603 4.891 -3.267) 15.743======================= Grid point 135 (47/60) =======================q-point: ( 0.33 0.11 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 136Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.361 ( 12.005 6.336 10.868) 17.389 1.498 ( 11.991 4.906 5.272) 13.987 1.718 ( 7.915 7.943 -8.962) 14.355 1.787 ( 9.134 9.025 -7.328) 14.785 1.902 ( -4.337 1.291 3.537) 5.743 1.996 ( -2.727 1.011 -4.380) 5.258 2.178 ( -11.178 6.071 2.416) 12.947 2.275 ( -11.090 3.720 -6.990) 13.627 2.654 ( 10.868 1.091 10.841) 15.389 2.747 ( 1.119 -0.041 1.568) 1.927 2.859 ( 1.062 3.876 1.221) 4.200 2.899 ( 3.798 6.648 2.077) 7.933 2.997 ( 0.332 -1.120 -2.614) 2.863 3.033 ( -0.262 9.162 -1.431) 9.277 3.199 ( 5.598 6.688 6.702) 10.999 3.311 ( 6.413 0.610 -1.487) 6.611 3.395 ( -0.070 -0.988 2.385) 2.583 3.456 ( 0.518 1.236 -2.577) 2.904 3.556 ( -2.336 1.922 1.575) 3.411 3.606 ( -0.076 3.646 -1.041) 3.792 3.641 ( 5.047 3.592 7.054) 9.387 3.760 ( 1.750 1.707 1.322) 2.779 3.792 ( 1.218 3.684 -1.989) 4.360 3.873 ( 3.142 5.347 -7.935) 10.071 4.047 ( -0.731 1.719 4.184) 4.582 4.156 ( -9.031 3.517 2.298) 9.960 4.207 ( -3.125 5.417 -5.120) 8.082 4.281 ( -4.862 -0.594 -4.798) 6.857 4.371 ( 0.305 2.942 1.602) 3.364 4.433 ( -1.792 0.951 -2.593) 3.292 4.500 ( 2.969 -0.094 1.593) 3.371 4.545 ( 1.448 -3.133 -0.705) 3.522 4.761 ( -0.380 -1.572 1.264) 2.053 4.802 ( -1.734 -2.153 -2.693) 3.859 4.890 ( -0.278 -8.098 0.936) 8.157 4.962 ( -3.917 -6.750 -4.861) 9.194 5.081 ( -2.205 1.220 1.247) 2.812 5.112 ( -3.520 0.845 -1.686) 3.994 5.205 ( 1.601 5.016 2.704) 5.919 5.254 ( 0.069 3.178 -1.207) 3.401 5.276 ( -0.998 7.345 1.702) 7.605 5.310 ( -2.234 5.304 -1.204) 5.880 5.485 ( 2.420 0.507 1.990) 3.174 5.543 ( 0.552 0.152 -2.940) 2.995 5.745 ( 12.987 -3.964 16.114) 21.073 6.060 ( 13.474 -5.882 -13.378) 19.878 6.410 ( -13.088 -7.848 16.260) 22.300 6.737 ( -13.678 -8.463 -15.216) 22.142 11.579 ( 3.425 3.839 0.843) 5.213 11.596 ( 3.683 3.393 -0.802) 5.072 11.730 ( -1.890 1.993 0.900) 2.890 11.740 ( -0.100 0.841 0.424) 0.947 11.783 ( 0.064 2.127 1.762) 2.763 11.833 ( 0.155 0.436 -2.400) 2.444 12.170 ( 1.567 -3.677 4.790) 6.239 12.258 ( -1.165 -3.958 -3.603) 5.478 15.832 ( 1.775 -2.131 0.784) 2.882 15.859 ( 1.224 -2.834 -1.751) 3.549 15.978 ( -0.167 -3.183 2.238) 3.895 16.013 ( -0.116 -2.368 -1.084) 2.607 16.049 ( -3.230 -1.292 1.419) 3.757 16.077 ( -2.695 -1.479 -0.907) 3.205 16.177 ( -0.779 2.572 0.415) 2.719 16.182 ( -1.034 2.586 0.000) 2.785 16.349 ( 2.473 7.474 0.014) 7.872 16.375 ( 1.472 7.112 -2.535) 7.693 16.501 ( -0.260 -2.835 0.930) 2.995 16.537 ( -1.692 -2.844 -2.270) 4.013 26.827 ( -0.058 -0.214 0.194) 0.295 26.830 ( -0.153 -0.267 -0.090) 0.321 26.868 ( 0.333 -0.430 0.079) 0.550 26.871 ( 0.200 -0.481 -0.155) 0.544 29.136 ( 3.864 -1.236 4.598) 6.132 29.218 ( 2.733 -1.174 -2.900) 4.154 29.345 ( -0.706 -5.348 4.691) 7.149 29.431 ( -2.317 -6.194 -3.169) 7.333 29.577 ( 1.741 -3.867 0.719) 4.302 29.595 ( 0.779 -3.001 -1.126) 3.298 29.783 ( 0.983 8.530 0.354) 8.594 29.793 ( 0.868 8.994 -0.545) 9.052 30.310 ( 10.462 1.390 6.405) 12.345 30.451 ( 8.395 -0.649 -7.229) 11.097 30.949 ( -16.643 2.773 4.675) 17.508 31.031 ( -15.913 2.272 -3.385) 16.427======================= Grid point 136 (48/60) =======================q-point: (-0.50 0.11 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.618 ( -8.445 0.122 1.564) 8.589 1.618 ( 8.445 0.122 1.564) 8.589 1.799 ( -8.608 3.936 4.283) 10.389 1.799 ( 8.608 3.936 4.283) 10.389 1.948 ( -3.690 6.171 -2.755) 7.699 1.948 ( 3.690 6.171 -2.755) 7.699 2.062 ( -5.739 7.901 -7.910) 12.567 2.062 ( 5.739 7.901 -7.910) 12.567 2.743 ( -0.782 1.029 1.369) 1.883 2.743 ( 0.782 1.029 1.369) 1.883 2.932 ( -3.603 -0.734 1.529) 3.982 2.932 ( 3.603 -0.734 1.529) 3.982 3.026 ( -2.362 11.014 -0.708) 11.286 3.026 ( 2.362 11.014 -0.708) 11.286 3.355 ( -4.840 0.166 7.399) 8.843 3.355 ( 4.840 0.166 7.399) 8.843 3.424 ( -4.754 -0.971 2.382) 5.405 3.424 ( 4.754 -0.971 2.382) 5.405 3.531 ( -4.777 4.568 -1.245) 6.726 3.531 ( 4.777 4.568 -1.245) 6.726 3.753 ( -4.196 3.868 6.205) 8.430 3.753 ( 4.196 3.868 6.205) 8.430 3.834 ( -4.915 4.266 1.717) 6.731 3.834 ( 4.915 4.266 1.717) 6.731 4.095 ( -3.808 0.045 -7.956) 8.821 4.095 ( 3.808 0.045 -7.956) 8.821 4.154 ( -0.892 5.258 -5.750) 7.843 4.154 ( 0.892 5.258 -5.750) 7.843 4.403 ( -1.562 2.329 0.682) 2.886 4.403 ( 1.562 2.329 0.682) 2.886 4.555 ( -1.127 -2.284 1.832) 3.138 4.555 ( 1.127 -2.284 1.832) 3.138 4.762 ( -1.170 -0.845 -1.700) 2.230 4.762 ( 1.170 -0.845 -1.700) 2.230 4.903 ( -1.413 -7.641 -2.044) 8.035 4.903 ( 1.413 -7.641 -2.044) 8.035 5.063 ( -0.746 0.738 -0.135) 1.057 5.063 ( 0.746 0.738 -0.135) 1.057 5.238 ( -1.286 5.198 1.634) 5.599 5.238 ( 1.286 5.198 1.634) 5.599 5.276 ( -0.912 5.884 -0.386) 5.967 5.276 ( 0.912 5.884 -0.386) 5.967 5.531 ( -1.560 0.312 -0.582) 1.694 5.531 ( 1.560 0.312 -0.582) 1.694 6.043 ( -13.749 -6.056 16.793) 22.533 6.043 ( 13.749 -6.056 16.793) 22.533 6.430 ( -13.875 -7.500 -15.147) 21.868 6.430 ( 13.875 -7.500 -15.147) 21.868 11.648 ( -1.661 4.491 0.539) 4.819 11.648 ( 1.661 4.491 0.539) 4.819 11.697 ( -1.691 2.800 -0.524) 3.313 11.697 ( 1.691 2.800 -0.524) 3.313 11.815 ( -1.677 -0.049 1.149) 2.033 11.815 ( 1.677 -0.049 1.149) 2.033 12.217 ( -2.394 -4.608 -0.040) 5.193 12.217 ( 2.394 -4.608 -0.040) 5.193 15.869 ( -0.915 -2.413 -0.249) 2.593 15.869 ( 0.915 -2.413 -0.249) 2.593 15.988 ( -1.402 -2.297 2.300) 3.540 15.988 ( 1.402 -2.297 2.300) 3.540 16.030 ( -1.336 -1.930 -1.523) 2.798 16.030 ( 1.336 -1.930 -1.523) 2.798 16.168 ( -0.116 2.359 0.183) 2.369 16.168 ( 0.116 2.359 0.183) 2.369 16.383 ( -0.635 6.971 -1.025) 7.074 16.383 ( 0.635 6.971 -1.025) 7.074 16.509 ( -0.882 -2.652 -1.164) 3.028 16.509 ( 0.882 -2.652 -1.164) 3.028 26.828 ( -0.081 -0.200 0.058) 0.224 26.828 ( 0.081 -0.200 0.058) 0.224 26.873 ( -0.064 -0.476 -0.088) 0.489 26.873 ( 0.064 -0.476 -0.088) 0.489 29.219 ( -3.019 -1.184 3.658) 4.888 29.219 ( 3.019 -1.184 3.658) 4.888 29.365 ( -3.018 -6.808 -1.412) 7.580 29.365 ( 3.018 -6.808 -1.412) 7.580 29.601 ( -0.417 -2.972 -0.365) 3.023 29.601 ( 0.417 -2.972 -0.365) 3.023 29.799 ( -0.339 9.638 -0.308) 9.649 29.799 ( 0.339 9.638 -0.308) 9.649 30.555 ( -8.947 5.756 2.573) 10.945 30.555 ( 8.947 5.756 2.573) 10.945 30.739 ( -7.625 -3.004 -2.656) 8.615 30.739 ( 7.625 -3.004 -2.656) 8.615======================= Grid point 140 (49/60) =======================q-point: ( 0.00 0.22 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.385 ( 0.000 13.021 17.160) 21.541 1.411 ( 0.000 15.768 11.337) 19.420 1.615 ( 0.000 9.203 -7.749) 12.031 1.744 ( 0.000 10.751 -17.054) 20.160 2.002 ( 0.000 2.167 2.321) 3.176 2.051 ( 0.000 -0.214 -2.813) 2.821 2.526 ( 0.000 2.652 5.131) 5.776 2.574 ( 0.000 14.674 15.919) 21.651 2.594 ( 0.000 2.503 -1.674) 3.011 2.782 ( 0.000 0.870 -3.655) 3.757 2.798 ( 0.000 4.715 7.846) 9.154 2.941 ( 0.000 -2.000 -4.737) 5.142 2.948 ( 0.000 -1.274 -3.598) 3.817 3.021 ( 0.000 8.048 -11.231) 13.817 3.252 ( 0.000 0.351 8.080) 8.088 3.280 ( 0.000 -3.823 0.214) 3.829 3.325 ( 0.000 1.836 -0.356) 1.870 3.439 ( 0.000 5.444 -5.495) 7.735 3.565 ( 0.000 2.591 4.732) 5.395 3.660 ( 0.000 1.410 6.108) 6.269 3.680 ( 0.000 -1.031 -7.281) 7.353 3.753 ( 0.000 6.357 0.795) 6.407 3.794 ( 0.000 6.605 -0.734) 6.646 3.864 ( 0.000 4.718 -10.408) 11.428 4.181 ( 0.000 3.443 8.945) 9.584 4.310 ( 0.000 3.138 1.965) 3.703 4.354 ( 0.000 1.970 -1.137) 2.274 4.412 ( 0.000 4.688 2.548) 5.336 4.459 ( 0.000 4.780 -6.374) 7.967 4.492 ( 0.000 10.484 -5.875) 12.018 4.560 ( 0.000 -1.891 2.457) 3.101 4.602 ( 0.000 -2.068 -1.821) 2.756 4.676 ( 0.000 -9.704 2.908) 10.130 4.722 ( 0.000 -10.296 -1.697) 10.435 4.848 ( 0.000 -0.520 4.955) 4.982 4.985 ( 0.000 -3.285 -7.235) 7.946 5.186 ( 0.000 1.901 4.667) 5.039 5.227 ( 0.000 5.272 1.097) 5.385 5.274 ( 0.000 3.072 3.520) 4.672 5.294 ( 0.000 2.910 -2.328) 3.726 5.329 ( 0.000 -0.096 2.961) 2.963 5.419 ( 0.000 4.102 -3.990) 5.722 5.435 ( 0.000 4.055 2.322) 4.672 5.512 ( 0.000 3.318 0.579) 3.368 5.524 ( 0.000 1.509 -0.608) 1.627 5.568 ( 0.000 -0.886 -8.650) 8.696 6.563 ( 0.000 -13.395 16.153) 20.985 6.846 ( 0.000 -14.750 -11.731) 18.847 11.509 ( 0.000 0.361 1.347) 1.394 11.541 ( 0.000 1.620 -1.781) 2.407 11.708 ( 0.000 -1.248 1.552) 1.991 11.738 ( 0.000 0.783 -1.347) 1.558 11.808 ( 0.000 2.023 1.217) 2.361 11.842 ( 0.000 3.570 -2.016) 4.100 12.154 ( 0.000 0.578 5.835) 5.864 12.260 ( 0.000 0.114 -4.399) 4.401 15.749 ( 0.000 -0.369 0.068) 0.375 15.771 ( 0.000 -1.185 -1.860) 2.205 16.016 ( 0.000 0.376 1.466) 1.514 16.042 ( 0.000 0.510 -1.120) 1.231 16.097 ( 0.000 -2.886 0.404) 2.915 16.099 ( 0.000 -2.224 -0.312) 2.246 16.247 ( 0.000 1.478 0.272) 1.503 16.271 ( 0.000 1.342 -1.771) 2.222 16.426 ( 0.000 8.335 1.428) 8.457 16.435 ( 0.000 3.815 1.225) 4.007 16.473 ( 0.000 -0.295 2.030) 2.051 16.520 ( 0.000 -4.559 -1.745) 4.882 26.823 ( 0.000 -0.775 0.119) 0.784 26.826 ( 0.000 -0.657 -0.211) 0.690 26.845 ( 0.000 -0.275 0.611) 0.670 26.854 ( 0.000 -0.487 -0.236) 0.541 29.019 ( 0.000 -2.027 4.032) 4.513 29.108 ( 0.000 -2.071 -4.361) 4.828 29.270 ( 0.000 -1.117 3.201) 3.390 29.350 ( 0.000 -0.837 -4.283) 4.364 29.441 ( 0.000 -5.221 5.710) 7.737 29.519 ( 0.000 -4.963 -2.008) 5.354 29.861 ( 0.000 1.840 3.946) 4.354 29.895 ( 0.000 7.303 -0.105) 7.304 30.029 ( 0.000 -0.128 3.643) 3.645 30.144 ( 0.000 -7.419 -6.891) 10.126 31.531 ( 0.000 5.315 5.203) 7.438 31.668 ( 0.000 5.494 -8.511) 10.130======================= Grid point 141 (50/60) =======================q-point: ( 0.17 0.22 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 135Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.446 ( 3.523 15.576 12.537) 20.302 1.476 ( 7.272 12.997 13.254) 19.937 1.707 ( 7.247 8.487 -9.452) 14.625 1.808 ( 5.462 8.762 -14.621) 17.900 2.005 ( -1.163 1.524 0.915) 2.124 2.027 ( -0.683 0.852 -1.220) 1.637 2.480 ( -4.992 4.146 4.255) 7.759 2.527 ( -5.757 3.103 -0.329) 6.548 2.595 ( 1.748 8.625 8.495) 12.232 2.726 ( -0.498 0.744 -0.952) 1.306 2.863 ( 3.402 1.811 0.616) 3.903 2.922 ( -0.226 -1.779 -6.061) 6.320 2.997 ( 4.107 7.254 3.507) 9.043 3.113 ( 3.435 4.760 -5.999) 8.393 3.247 ( 2.592 2.692 5.483) 6.635 3.273 ( -1.004 2.601 2.732) 3.903 3.358 ( 4.190 -3.111 0.118) 5.220 3.450 ( 0.482 2.353 -4.750) 5.323 3.606 ( 3.326 2.859 5.807) 7.278 3.673 ( 1.317 -1.502 0.272) 2.016 3.695 ( -1.805 4.242 0.513) 4.639 3.764 ( 0.730 4.548 -4.631) 6.532 3.795 ( 3.072 6.092 1.259) 6.938 3.915 ( 3.630 6.170 -9.809) 12.143 4.156 ( -2.782 3.864 8.525) 9.765 4.288 ( -1.489 -1.011 1.210) 2.169 4.363 ( -3.912 2.200 -2.748) 5.262 4.387 ( 0.416 -1.346 -0.126) 1.414 4.427 ( -1.289 5.598 -0.978) 5.827 4.449 ( -4.856 0.079 -1.794) 5.178 4.518 ( -0.101 5.828 2.286) 6.261 4.585 ( 1.457 4.732 -3.588) 6.114 4.726 ( 0.653 -6.340 0.557) 6.398 4.754 ( 1.836 -3.440 -2.103) 4.431 4.807 ( -2.985 -0.619 4.843) 5.723 4.946 ( -3.429 -3.331 -8.023) 9.339 5.171 ( -1.994 1.930 2.812) 3.951 5.224 ( -0.914 3.243 -0.295) 3.382 5.231 ( -2.859 0.806 0.491) 3.011 5.279 ( 1.321 2.356 -0.729) 2.797 5.376 ( 2.357 1.960 4.800) 5.696 5.439 ( 0.376 3.402 0.615) 3.477 5.461 ( 1.443 2.540 3.790) 4.785 5.527 ( 2.913 3.715 0.528) 4.750 5.543 ( 1.529 1.933 -1.127) 2.711 5.675 ( 9.289 -4.106 -10.082) 14.311 6.462 ( -8.708 -12.118 16.714) 22.406 6.758 ( -7.789 -13.492 -12.562) 20.013 11.552 ( 3.583 0.604 1.049) 3.782 11.575 ( 2.868 1.831 -1.187) 3.604 11.731 ( 1.945 -0.636 0.936) 2.250 11.746 ( 0.787 1.487 -0.460) 1.744 11.821 ( 1.015 1.967 1.237) 2.536 11.858 ( 1.039 3.037 -2.339) 3.972 12.134 ( -1.717 -0.106 5.549) 5.809 12.236 ( -2.156 -1.013 -4.299) 4.915 15.760 ( 1.005 -0.682 0.422) 1.286 15.786 ( 1.184 -1.035 -1.967) 2.518 15.987 ( -2.055 0.548 2.145) 3.021 16.023 ( -1.473 0.497 -1.403) 2.094 16.071 ( -2.020 -2.441 0.768) 3.260 16.084 ( -1.350 -2.138 -0.501) 2.578 16.242 ( -0.476 1.810 0.991) 2.118 16.270 ( -0.473 2.618 -1.638) 3.124 16.430 ( -0.586 -1.193 3.439) 3.686 16.448 ( 1.349 6.802 0.802) 6.980 16.467 ( -0.260 0.419 -0.476) 0.686 16.509 ( -0.363 -1.437 -2.868) 3.228 26.823 ( -0.019 -0.578 0.094) 0.586 26.824 ( -0.056 -0.488 -0.035) 0.492 26.850 ( 0.392 -0.470 0.340) 0.700 26.856 ( 0.151 -0.528 -0.129) 0.564 29.041 ( 2.070 -1.760 4.016) 4.849 29.130 ( 1.849 -2.134 -4.424) 5.248 29.279 ( 0.255 -2.200 4.072) 4.635 29.364 ( 0.010 -2.999 -4.344) 5.279 29.445 ( 1.148 -4.527 4.894) 6.765 29.512 ( -0.119 -4.215 -2.005) 4.669 29.871 ( 0.941 1.858 3.274) 3.880 29.917 ( 1.441 6.203 -1.296) 6.498 30.108 ( 7.138 -0.420 4.380) 8.385 30.219 ( 6.976 -4.409 -6.161) 10.299 31.386 ( -12.664 5.872 4.585) 14.693 31.499 ( -14.213 6.825 -6.561) 17.078======================= Grid point 142 (51/60) =======================q-point: ( 0.33 0.22 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 136Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.553 ( 6.053 12.080 9.488) 16.510 1.659 ( 8.413 11.012 3.532) 14.301 1.827 ( 0.567 2.883 -3.329) 4.441 1.901 ( 1.919 2.557 -6.431) 7.182 1.996 ( 3.411 7.224 0.817) 8.031 2.070 ( 4.191 6.506 -5.261) 9.358 2.313 ( -9.379 7.264 2.086) 12.045 2.369 ( -7.745 5.562 -4.151) 10.400 2.665 ( 4.391 -0.323 4.425) 6.242 2.754 ( 2.530 0.043 -1.620) 3.005 2.899 ( -2.520 -2.718 -1.765) 4.105 2.923 ( 0.550 1.524 -1.930) 2.520 3.109 ( 6.711 8.279 4.075) 11.409 3.174 ( 4.128 3.343 -1.999) 5.675 3.315 ( 2.889 -0.577 4.000) 4.968 3.350 ( 4.936 6.944 4.642) 9.702 3.414 ( 0.499 -3.192 -0.349) 3.250 3.457 ( 0.059 4.955 -0.510) 4.982 3.632 ( -1.273 4.991 1.744) 5.438 3.668 ( -0.760 2.836 -1.010) 3.105 3.730 ( 5.170 4.962 5.173) 8.838 3.797 ( 3.063 2.485 2.711) 4.786 3.875 ( 2.207 4.259 -1.146) 4.932 4.002 ( 3.918 5.832 -10.793) 12.878 4.079 ( -3.176 1.442 3.946) 5.266 4.181 ( -7.867 -1.513 -3.112) 8.595 4.306 ( -4.031 3.463 1.379) 5.490 4.316 ( -1.682 3.304 3.584) 5.156 4.390 ( -1.330 0.667 -1.645) 2.218 4.424 ( 0.310 1.626 -1.635) 2.327 4.555 ( 2.618 6.336 2.372) 7.254 4.625 ( 1.155 7.672 -3.959) 8.710 4.720 ( -0.744 -2.371 1.474) 2.889 4.761 ( 0.039 -2.451 -0.444) 2.491 4.782 ( 0.491 -2.465 -1.351) 2.854 4.860 ( -4.029 -1.966 -7.708) 8.916 5.111 ( -2.715 1.637 0.724) 3.252 5.132 ( -3.618 1.193 -1.277) 4.018 5.249 ( 0.045 -1.512 2.122) 2.606 5.288 ( -1.038 -0.013 -1.325) 1.683 5.398 ( 0.736 6.507 2.912) 7.167 5.437 ( 0.080 7.029 -1.008) 7.102 5.518 ( 2.992 2.210 3.215) 4.917 5.565 ( 0.684 1.896 -1.497) 2.511 5.663 ( 9.009 -3.091 12.026) 15.341 5.916 ( 11.592 -7.834 -11.385) 18.038 6.228 ( -11.454 -9.630 15.510) 21.552 6.533 ( -12.411 -11.437 -13.819) 21.813 11.643 ( 4.319 1.206 0.706) 4.540 11.654 ( 4.165 1.637 -0.293) 4.484 11.760 ( 0.149 2.190 1.007) 2.415 11.776 ( 1.225 1.742 -0.606) 2.214 11.841 ( 0.755 3.492 0.915) 3.688 11.866 ( -0.307 2.985 -1.281) 3.263 12.098 ( -0.969 -2.660 3.728) 4.681 12.174 ( -3.290 -3.684 -3.362) 5.975 15.790 ( 1.670 -1.267 0.585) 2.176 15.813 ( 1.048 -1.249 -1.551) 2.251 15.954 ( -0.641 0.218 2.521) 2.610 15.995 ( -0.779 0.308 -1.455) 1.679 16.020 ( -2.457 -1.649 1.425) 3.284 16.046 ( -1.988 -1.383 -0.948) 2.601 16.228 ( -0.665 2.325 1.076) 2.647 16.246 ( -1.466 3.247 -0.551) 3.606 16.415 ( -0.366 -3.442 2.376) 4.199 16.439 ( -1.297 -2.641 0.319) 2.960 16.492 ( 1.806 4.408 -1.293) 4.936 16.519 ( 0.701 3.346 -3.431) 4.843 26.822 ( 0.033 -0.255 0.140) 0.293 26.824 ( 0.000 -0.322 0.006) 0.322 26.858 ( 0.254 -0.627 0.092) 0.683 26.859 ( 0.146 -0.651 -0.040) 0.669 29.105 ( 3.603 -1.820 4.090) 5.746 29.183 ( 2.930 -2.486 -3.347) 5.096 29.257 ( -2.281 -3.298 4.530) 6.050 29.326 ( -2.963 -4.447 -1.923) 5.679 29.494 ( 2.573 -3.839 1.104) 4.752 29.526 ( 1.016 -3.476 -1.944) 4.110 29.898 ( 1.424 1.401 1.638) 2.583 29.937 ( 0.198 3.172 -2.054) 3.784 30.326 ( 12.754 1.558 5.158) 13.846 30.435 ( 12.652 0.564 -5.431) 13.780 31.038 ( -18.132 6.339 4.308) 19.685 31.132 ( -18.195 7.122 -4.820) 20.125======================= Grid point 143 (52/60) =======================q-point: (-0.50 0.22 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.685 ( -5.349 6.208 1.902) 8.413 1.685 ( 5.349 6.208 1.902) 8.413 1.887 ( -4.932 4.717 0.244) 6.829 1.887 ( 4.932 4.717 0.244) 6.829 2.082 ( -4.757 7.011 1.535) 8.611 2.082 ( 4.757 7.011 1.535) 8.611 2.231 ( -4.374 9.083 -7.191) 12.383 2.231 ( 4.374 9.083 -7.191) 12.383 2.766 ( -3.943 0.571 3.754) 5.474 2.766 ( 3.943 0.571 3.754) 5.474 2.878 ( -3.063 -2.675 -4.351) 5.956 2.878 ( 3.063 -2.675 -4.351) 5.956 3.236 ( -2.070 2.644 2.933) 4.459 3.236 ( 2.070 2.644 2.933) 4.459 3.356 ( -3.451 -1.322 -0.777) 3.777 3.356 ( 3.451 -1.322 -0.777) 3.777 3.441 ( -1.579 7.730 3.197) 8.513 3.441 ( 1.579 7.730 3.197) 8.513 3.641 ( -1.817 5.992 -0.696) 6.300 3.641 ( 1.817 5.992 -0.696) 6.300 3.834 ( -3.660 3.279 6.714) 8.320 3.834 ( 3.660 3.279 6.714) 8.320 3.929 ( -7.591 5.239 1.546) 9.352 3.929 ( 7.591 5.239 1.546) 9.352 4.093 ( -1.733 -0.551 -7.134) 7.362 4.093 ( 1.733 -0.551 -7.134) 7.362 4.265 ( -0.893 5.056 -0.332) 5.145 4.265 ( 0.894 5.056 -0.332) 5.145 4.407 ( -1.553 0.192 1.326) 2.051 4.407 ( 1.553 0.192 1.326) 2.051 4.608 ( -2.115 6.256 0.471) 6.620 4.608 ( 2.115 6.256 0.471) 6.620 4.746 ( -2.184 -1.728 -3.042) 4.124 4.746 ( 2.184 -1.728 -3.042) 4.124 4.796 ( -1.233 -1.216 -3.616) 4.009 4.796 ( 1.233 -1.216 -3.616) 4.009 5.084 ( -0.555 1.550 0.066) 1.647 5.084 ( 0.555 1.550 0.066) 1.647 5.254 ( -1.145 -2.465 -0.486) 2.761 5.254 ( 1.145 -2.465 -0.486) 2.761 5.426 ( -1.232 7.970 1.240) 8.160 5.426 ( 1.232 7.970 1.240) 8.160 5.562 ( -1.005 2.440 0.689) 2.727 5.562 ( 1.005 2.440 0.689) 2.727 5.901 ( -11.845 -7.379 14.800) 20.342 5.901 ( 11.845 -7.379 14.800) 20.342 6.251 ( -12.736 -9.697 -12.952) 20.591 6.251 ( 12.736 -9.697 -12.952) 20.591 11.717 ( -1.322 -0.082 0.977) 1.645 11.717 ( 1.322 -0.082 0.977) 1.645 11.755 ( -1.919 4.148 -0.528) 4.601 11.755 ( 1.919 4.148 -0.528) 4.601 11.858 ( -0.582 4.735 0.408) 4.788 11.858 ( 0.582 4.735 0.408) 4.788 12.110 ( -2.115 -5.248 -0.367) 5.670 12.110 ( 2.115 -5.248 -0.367) 5.670 15.819 ( -0.638 -1.732 -0.263) 1.865 15.819 ( 0.638 -1.732 -0.263) 1.865 15.966 ( -1.630 -0.104 2.072) 2.639 15.966 ( 1.630 -0.104 2.072) 2.639 16.008 ( -1.264 -0.723 -1.303) 1.954 16.008 ( 1.264 -0.723 -1.303) 1.954 16.223 ( -0.426 2.760 0.404) 2.822 16.223 ( 0.426 2.760 0.404) 2.822 16.418 ( -0.571 -3.438 0.940) 3.610 16.418 ( 0.571 -3.438 0.940) 3.610 16.521 ( -0.647 3.901 -2.430) 4.641 16.521 ( 0.647 3.901 -2.430) 4.641 26.824 ( -0.048 -0.187 0.089) 0.213 26.824 ( 0.048 -0.187 0.089) 0.213 26.861 ( -0.032 -0.699 -0.017) 0.700 26.861 ( 0.032 -0.699 -0.017) 0.700 29.187 ( -3.669 -2.136 4.132) 5.924 29.187 ( 3.669 -2.136 4.132) 5.924 29.255 ( -3.337 -4.207 -1.869) 5.685 29.255 ( 3.337 -4.207 -1.869) 5.685 29.533 ( -0.724 -3.376 -0.768) 3.537 29.533 ( 0.724 -3.376 -0.768) 3.537 29.926 ( -1.056 1.446 -0.708) 1.926 29.926 ( 1.056 1.446 -0.708) 1.926 30.646 ( -15.586 3.129 4.355) 16.483 30.646 ( 15.586 3.129 4.355) 16.483 30.757 ( -15.063 6.011 -4.401) 16.804 30.757 ( 15.063 6.011 -4.401) 16.804======================= Grid point 147 (53/60) =======================q-point: ( 0.00 0.33 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.580 ( 0.000 5.422 9.228) 10.703 1.664 ( 0.000 6.843 2.154) 7.174 1.813 ( 0.000 11.476 -2.338) 11.712 1.924 ( 0.000 9.326 -13.624) 16.510 2.076 ( 0.000 3.349 -0.194) 3.355 2.077 ( 0.000 6.023 0.216) 6.027 2.551 ( 0.000 0.758 5.601) 5.652 2.624 ( 0.000 0.541 -1.263) 1.374 2.738 ( 0.000 4.346 2.233) 4.886 2.791 ( 0.000 -0.157 -2.250) 2.256 2.826 ( 0.000 -2.180 1.943) 2.920 2.893 ( 0.000 -1.876 -5.702) 6.003 3.082 ( 0.000 6.331 3.814) 7.391 3.106 ( 0.000 -4.023 1.375) 4.251 3.209 ( 0.000 0.106 1.331) 1.335 3.231 ( 0.000 3.498 0.402) 3.521 3.411 ( 0.000 3.616 3.809) 5.252 3.474 ( 0.000 -0.873 -2.260) 2.423 3.557 ( 0.000 -0.180 1.909) 1.917 3.655 ( 0.000 -1.106 -7.893) 7.970 3.734 ( 0.000 3.688 2.721) 4.583 3.788 ( 0.000 -2.114 -1.604) 2.653 3.903 ( 0.000 5.161 -0.542) 5.189 3.939 ( 0.000 3.851 -5.138) 6.421 4.260 ( 0.000 4.248 5.063) 6.609 4.321 ( 0.000 0.151 -1.733) 1.739 4.332 ( 0.000 -12.363 7.246) 14.331 4.436 ( 0.000 -9.461 -2.164) 9.705 4.483 ( 0.000 -0.510 2.685) 2.733 4.529 ( 0.000 4.211 1.160) 4.368 4.574 ( 0.000 1.210 -3.553) 3.754 4.585 ( 0.000 6.982 -2.932) 7.573 4.677 ( 0.000 4.599 0.051) 4.599 4.690 ( 0.000 5.959 -2.618) 6.509 4.865 ( 0.000 1.026 1.451) 1.777 4.947 ( 0.000 -1.776 -5.658) 5.930 5.242 ( 0.000 3.759 4.711) 6.027 5.317 ( 0.000 2.919 4.514) 5.376 5.337 ( 0.000 2.186 -1.752) 2.801 5.356 ( 0.000 4.411 4.674) 6.427 5.382 ( 0.000 5.702 -2.246) 6.128 5.468 ( 0.000 0.676 -3.664) 3.726 5.518 ( 0.000 3.926 -0.970) 4.044 5.571 ( 0.000 1.411 -5.487) 5.665 5.590 ( 0.000 5.932 1.267) 6.066 5.605 ( 0.000 6.946 0.270) 6.952 6.298 ( 0.000 -13.412 13.554) 19.068 6.536 ( 0.000 -16.916 -9.905) 19.602 11.519 ( 0.000 0.762 1.545) 1.723 11.559 ( 0.000 0.603 -2.350) 2.426 11.660 ( 0.000 -3.308 1.524) 3.642 11.694 ( 0.000 -3.522 -1.777) 3.944 11.909 ( 0.000 6.297 1.896) 6.576 11.950 ( 0.000 6.567 -1.967) 6.855 12.163 ( 0.000 0.040 4.989) 4.989 12.253 ( 0.000 -1.057 -3.685) 3.834 15.771 ( 0.000 2.207 -0.695) 2.314 15.777 ( 0.000 1.475 -1.069) 1.821 16.016 ( 0.000 -1.446 0.155) 1.455 16.018 ( 0.000 -3.030 -0.066) 3.030 16.079 ( 0.000 1.347 0.672) 1.505 16.096 ( 0.000 3.074 -0.708) 3.154 16.258 ( 0.000 -0.469 0.567) 0.735 16.283 ( 0.000 0.006 -1.949) 1.949 16.368 ( 0.000 -4.277 2.205) 4.812 16.410 ( 0.000 -5.429 -1.508) 5.634 16.572 ( 0.000 5.356 1.559) 5.578 16.578 ( 0.000 4.856 1.088) 4.977 26.808 ( 0.000 -0.598 0.157) 0.618 26.813 ( 0.000 -0.633 -0.267) 0.687 26.840 ( 0.000 -0.159 0.452) 0.479 26.845 ( 0.000 -0.361 -0.013) 0.362 28.987 ( 0.000 -1.121 2.530) 2.768 29.058 ( 0.000 -2.836 -4.187) 5.057 29.273 ( 0.000 1.365 3.235) 3.512 29.348 ( 0.000 0.004 -1.238) 1.238 29.351 ( 0.000 -3.193 2.255) 3.909 29.413 ( 0.000 -5.255 -1.101) 5.369 29.800 ( 0.000 -5.242 6.183) 8.106 29.922 ( 0.000 -6.801 -5.642) 8.837 30.088 ( 0.000 4.130 0.727) 4.194 30.100 ( 0.000 4.934 -0.375) 4.948 31.649 ( 0.000 6.122 4.021) 7.324 31.758 ( 0.000 3.395 -6.675) 7.488======================= Grid point 148 (54/60) =======================q-point: ( 0.17 0.33 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 135Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.656 ( 5.902 5.650 9.369) 12.431 1.747 ( 6.015 8.257 3.538) 10.811 1.863 ( 3.414 9.261 -3.990) 10.646 1.928 ( 0.389 6.591 -10.501) 12.404 2.070 ( 0.758 5.271 0.052) 5.325 2.108 ( 3.496 7.304 -1.992) 8.339 2.533 ( -2.294 1.515 5.169) 5.855 2.582 ( -4.579 2.236 0.243) 5.102 2.672 ( -4.927 -0.053 0.105) 4.928 2.727 ( -1.551 -0.697 -3.539) 3.926 2.879 ( 3.271 -0.351 -0.144) 3.293 2.901 ( 1.787 1.430 -3.157) 3.899 3.123 ( 1.871 -1.821 1.388) 2.957 3.144 ( 1.791 -2.672 -0.474) 3.251 3.266 ( 3.518 3.770 4.702) 6.979 3.324 ( 4.279 0.767 -0.688) 4.401 3.375 ( 1.469 5.512 4.174) 7.069 3.462 ( -0.692 0.120 -4.137) 4.196 3.615 ( 3.183 -1.284 1.900) 3.923 3.627 ( 0.985 -2.041 0.287) 2.284 3.741 ( 0.245 0.558 0.378) 0.717 3.822 ( 2.636 1.897 -7.019) 7.734 3.928 ( 2.721 5.994 3.293) 7.361 4.008 ( 3.994 3.334 -5.511) 7.579 4.186 ( -5.885 -2.655 5.363) 8.393 4.260 ( -1.726 0.290 0.744) 1.902 4.344 ( -2.836 -0.875 2.695) 4.009 4.410 ( 2.788 -1.695 -1.134) 3.454 4.469 ( -1.531 2.473 1.801) 3.421 4.513 ( -2.726 2.363 -2.341) 4.300 4.623 ( 3.103 0.849 -0.046) 3.217 4.632 ( 2.239 0.617 0.344) 2.348 4.683 ( 0.968 4.016 0.855) 4.218 4.729 ( 1.915 3.596 -3.379) 5.293 4.852 ( -1.251 2.851 -0.371) 3.136 4.917 ( -2.323 -0.835 -5.470) 6.001 5.201 ( -2.617 1.553 3.711) 4.799 5.248 ( -5.573 1.531 1.251) 5.913 5.288 ( -3.668 3.212 -1.211) 5.024 5.331 ( -1.683 2.526 -2.753) 4.098 5.402 ( 3.357 2.002 6.941) 7.966 5.520 ( 3.170 1.889 -1.303) 3.914 5.553 ( -0.028 6.578 1.040) 6.660 5.577 ( 1.468 1.672 -4.063) 4.633 5.611 ( 2.158 5.077 0.948) 5.597 5.651 ( 4.326 3.508 -2.905) 6.282 6.227 ( -6.155 -11.575 14.015) 19.191 6.476 ( -5.499 -15.243 -10.483) 19.299 11.559 ( 3.354 0.431 1.283) 3.617 11.590 ( 2.694 0.282 -1.763) 3.231 11.691 ( 2.693 -3.087 1.286) 4.293 11.719 ( 2.241 -3.163 -1.491) 4.153 11.914 ( 0.463 6.066 1.960) 6.391 11.956 ( 0.353 6.250 -2.104) 6.604 12.138 ( -2.152 0.122 4.369) 4.872 12.220 ( -2.958 -0.968 -3.459) 4.653 15.775 ( 0.549 1.887 0.026) 1.965 15.792 ( 1.081 1.434 -1.524) 2.356 15.997 ( -1.587 -0.713 0.851) 1.937 16.004 ( -1.145 -2.688 0.155) 2.926 16.058 ( -1.661 1.263 0.384) 2.122 16.074 ( -1.628 2.527 -0.750) 3.099 16.255 ( -0.299 -0.801 1.951) 2.130 16.300 ( 0.240 -0.031 -2.605) 2.616 16.359 ( -0.130 -3.057 1.731) 3.515 16.395 ( -0.942 -4.355 -1.445) 4.684 16.565 ( -0.427 4.440 1.181) 4.614 16.575 ( -0.326 3.556 0.289) 3.582 26.811 ( 0.246 -0.486 0.152) 0.565 26.815 ( 0.189 -0.460 -0.194) 0.534 26.842 ( 0.148 -0.308 0.385) 0.515 26.847 ( 0.085 -0.384 -0.028) 0.395 29.010 ( 2.092 -1.220 2.661) 3.598 29.078 ( 1.763 -2.903 -3.791) 5.090 29.251 ( -1.564 -0.914 3.474) 3.918 29.309 ( -2.539 -2.863 -1.862) 4.256 29.386 ( 2.702 -1.075 3.432) 4.498 29.446 ( 1.902 -1.858 -2.548) 3.683 29.813 ( 0.882 -5.779 4.873) 7.611 29.905 ( -1.163 -6.688 -4.143) 7.953 30.169 ( 7.982 5.597 2.436) 10.048 30.220 ( 9.698 3.440 -2.546) 10.601 31.515 ( -11.892 6.563 3.795) 14.103 31.613 ( -12.677 4.353 -5.796) 14.603======================= Grid point 149 (55/60) =======================q-point: ( 0.33 0.33 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 136Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.770 ( 3.639 8.045 7.081) 11.319 1.854 ( 1.809 0.875 0.434) 2.056 1.908 ( 2.316 12.726 -0.259) 12.937 1.943 ( 1.457 2.877 -3.955) 5.103 2.127 ( 3.615 6.637 1.770) 7.762 2.237 ( 6.211 9.665 -6.755) 13.328 2.447 ( -7.018 5.358 0.667) 8.855 2.466 ( -2.789 3.629 -1.070) 4.700 2.642 ( 2.804 -1.762 1.647) 3.699 2.727 ( 2.197 -2.534 -4.753) 5.818 2.894 ( -2.931 2.599 1.466) 4.182 2.945 ( 0.037 1.609 -2.680) 3.126 3.147 ( 0.894 -4.079 1.471) 4.427 3.172 ( 1.489 -2.227 -0.592) 2.743 3.287 ( -0.441 -2.442 1.127) 2.725 3.306 ( -2.305 -5.333 -1.140) 5.920 3.516 ( 6.782 4.682 0.348) 8.249 3.527 ( 5.378 3.067 -1.509) 6.372 3.669 ( 3.090 -0.676 3.180) 4.485 3.698 ( 2.286 -1.644 0.343) 2.837 3.786 ( 4.923 2.709 4.112) 6.963 3.892 ( 3.390 3.964 -4.550) 6.921 3.981 ( 1.939 6.320 2.664) 7.128 4.061 ( 0.440 2.322 -3.013) 3.830 4.113 ( -1.153 1.780 1.340) 2.509 4.179 ( -4.351 2.552 -2.737) 5.739 4.342 ( -0.158 3.022 5.410) 6.199 4.413 ( -3.074 4.072 2.228) 5.567 4.427 ( -2.921 2.146 -1.344) 3.866 4.450 ( -0.553 0.229 1.159) 1.304 4.665 ( 1.240 -3.530 -0.462) 3.770 4.673 ( 1.284 -4.110 -0.383) 4.323 4.705 ( 1.398 7.045 0.987) 7.250 4.776 ( 2.598 4.083 -6.112) 7.796 4.803 ( -2.609 4.695 0.450) 5.390 4.875 ( -1.530 1.507 -5.854) 6.235 5.139 ( -2.883 1.289 0.791) 3.255 5.154 ( -1.367 1.183 -0.709) 1.942 5.223 ( -3.374 0.911 2.752) 4.449 5.279 ( -3.408 0.045 -2.462) 4.204 5.488 ( 3.948 0.438 5.452) 6.746 5.558 ( 1.563 2.837 0.832) 3.344 5.561 ( 1.134 3.843 0.222) 4.013 5.591 ( -0.302 1.333 0.376) 1.418 5.678 ( 3.561 4.767 3.914) 7.122 5.795 ( 8.117 -3.018 -6.394) 10.765 6.061 ( -7.918 -7.065 12.470) 16.374 6.308 ( -9.744 -11.433 -10.899) 18.559 11.642 ( 3.854 -0.358 0.942) 3.984 11.660 ( 3.227 -0.369 -0.733) 3.330 11.757 ( 2.702 -2.542 0.885) 3.814 11.775 ( 2.217 -2.280 -0.973) 3.326 11.930 ( 1.172 5.432 1.458) 5.745 11.959 ( 0.110 5.859 -1.328) 6.008 12.082 ( -2.633 0.426 2.264) 3.498 12.135 ( -4.566 -0.618 -2.530) 5.257 15.795 ( 1.188 1.580 0.507) 2.040 15.815 ( 0.795 1.314 -1.393) 2.073 15.963 ( -1.099 -0.204 1.723) 2.054 15.978 ( -1.037 -2.114 0.580) 2.425 16.021 ( -1.509 1.681 0.096) 2.261 16.038 ( -1.657 1.353 -0.916) 2.327 16.240 ( -0.893 -2.120 2.077) 3.099 16.269 ( -2.229 -2.283 -0.655) 3.257 16.375 ( 0.896 0.785 0.068) 1.194 16.386 ( 0.096 -0.435 -0.994) 1.089 16.560 ( 0.059 1.933 -0.109) 1.937 16.568 ( -0.219 1.151 -0.821) 1.431 26.818 ( 0.291 -0.196 0.150) 0.381 26.820 ( 0.211 -0.126 -0.042) 0.249 26.845 ( 0.103 -0.582 0.202) 0.624 26.848 ( -0.007 -0.524 -0.032) 0.525 29.071 ( 3.301 -1.459 2.860) 4.605 29.126 ( 2.468 -2.970 -2.282) 4.485 29.211 ( -2.235 -1.773 3.175) 4.268 29.252 ( -2.757 -3.187 -0.647) 4.264 29.450 ( 2.873 -0.301 0.940) 3.038 29.484 ( 1.452 -0.374 -2.422) 2.849 29.829 ( 0.671 -6.919 2.048) 7.247 29.878 ( -1.381 -7.427 -2.698) 8.022 30.416 ( 14.333 6.431 3.709) 16.141 30.491 ( 14.913 4.051 -3.596) 15.867 31.179 ( -17.982 7.169 3.732) 19.714 31.263 ( -18.362 5.402 -4.466) 19.655======================= Grid point 150 (56/60) =======================q-point: (-0.50 0.33 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.826 ( -2.236 7.206 2.948) 8.101 1.826 ( 2.236 7.206 2.948) 8.101 1.964 ( -0.661 2.751 -2.158) 3.558 1.964 ( 0.661 2.751 -2.158) 3.558 2.228 ( -5.928 7.949 3.647) 10.565 2.228 ( 5.928 7.949 3.647) 10.565 2.403 ( -3.042 7.313 -7.109) 10.643 2.403 ( 3.042 7.313 -7.109) 10.643 2.764 ( -6.972 0.210 1.935) 7.238 2.764 ( 6.972 0.210 1.935) 7.238 2.851 ( -7.029 -0.087 -3.122) 7.692 2.851 ( 7.029 -0.087 -3.122) 7.692 3.185 ( -1.504 -4.393 1.952) 5.037 3.185 ( 1.504 -4.393 1.952) 5.037 3.277 ( -1.406 -5.744 -1.747) 6.166 3.277 ( 1.406 -5.744 -1.747) 6.166 3.600 ( -0.469 3.059 -1.070) 3.274 3.600 ( 0.469 3.059 -1.070) 3.274 3.713 ( -0.641 0.398 1.800) 1.952 3.713 ( 0.641 0.398 1.800) 1.952 3.909 ( -3.991 4.635 3.928) 7.269 3.909 ( 3.991 4.635 3.928) 7.269 4.040 ( -4.492 4.855 -4.643) 8.081 4.040 ( 4.492 4.855 -4.643) 8.081 4.094 ( -1.034 3.912 0.923) 4.151 4.094 ( 1.034 3.912 0.923) 4.151 4.339 ( -1.706 2.460 0.332) 3.012 4.339 ( 1.706 2.460 0.332) 3.012 4.428 ( -1.247 1.450 4.266) 4.675 4.428 ( 1.247 1.450 4.266) 4.675 4.684 ( -0.252 -4.116 -1.474) 4.380 4.684 ( 0.252 -4.116 -1.474) 4.380 4.747 ( -2.258 6.347 0.640) 6.767 4.747 ( 2.258 6.347 0.640) 6.767 4.837 ( -2.242 3.123 -6.151) 7.253 4.837 ( 2.242 3.123 -6.151) 7.253 5.129 ( -1.463 3.166 0.676) 3.553 5.129 ( 1.463 3.166 0.676) 3.553 5.200 ( -2.664 -1.428 -1.030) 3.194 5.200 ( 2.664 -1.428 -1.030) 3.194 5.549 ( -1.935 2.857 2.354) 4.177 5.549 ( 1.935 2.857 2.354) 4.177 5.590 ( -0.205 -0.056 0.251) 0.329 5.590 ( 0.205 -0.056 0.251) 0.329 5.801 ( -7.287 -1.239 9.788) 12.265 5.801 ( 7.288 -1.239 9.788) 12.265 6.083 ( -9.895 -7.037 -8.612) 14.886 6.083 ( 9.895 -7.037 -8.612) 14.886 11.699 ( -0.492 -0.921 0.544) 1.177 11.699 ( 0.492 -0.921 0.544) 1.177 11.789 ( -0.610 -1.460 -0.121) 1.587 11.789 ( 0.610 -1.460 -0.121) 1.587 11.964 ( -0.814 5.240 0.098) 5.304 11.964 ( 0.814 5.240 0.098) 5.304 12.054 ( -1.439 -0.073 -0.536) 1.538 12.054 ( 1.439 -0.073 -0.536) 1.538 15.817 ( -0.635 1.457 -0.234) 1.607 15.817 ( 0.635 1.457 -0.234) 1.607 15.960 ( -0.663 -1.145 1.619) 2.091 15.960 ( 0.663 -1.145 1.619) 2.091 16.010 ( -0.644 1.405 -0.766) 1.725 16.010 ( 0.644 1.405 -0.766) 1.725 16.234 ( -0.677 -2.770 0.768) 2.953 16.234 ( 0.677 -2.770 0.768) 2.953 16.387 ( -0.233 1.819 -0.276) 1.855 16.387 ( 0.233 1.819 -0.276) 1.855 16.564 ( -0.196 0.266 -1.059) 1.109 16.564 ( 0.196 0.266 -1.059) 1.109 26.822 ( -0.055 0.034 0.106) 0.124 26.822 ( 0.055 0.034 0.106) 0.124 26.847 ( -0.060 -0.699 0.022) 0.702 26.847 ( 0.060 -0.699 0.022) 0.702 29.142 ( -2.872 -1.939 2.809) 4.461 29.142 ( 2.872 -1.939 2.809) 4.461 29.192 ( -2.476 -2.673 -0.750) 3.720 29.192 ( 2.476 -2.673 -0.750) 3.720 29.494 ( -0.847 -0.002 -1.005) 1.315 29.494 ( 0.847 -0.002 -1.005) 1.315 29.848 ( -1.181 -7.882 -0.874) 8.018 29.848 ( 1.181 -7.882 -0.874) 8.018 30.752 ( -11.734 7.192 2.185) 13.936 30.752 ( 11.734 7.192 2.185) 13.936 30.880 ( -11.811 5.057 -2.124) 13.023 30.880 ( 11.811 5.057 -2.124) 13.023======================= Grid point 154 (57/60) =======================q-point: ( 0.00 0.44 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.634 ( 0.000 1.864 0.390) 1.905 1.680 ( 0.000 -2.388 -3.748) 4.445 2.023 ( 0.000 8.108 -1.366) 8.222 2.081 ( 0.000 2.954 -7.288) 7.863 2.170 ( 0.000 5.508 3.113) 6.327 2.195 ( 0.000 3.800 0.699) 3.864 2.567 ( 0.000 1.334 2.318) 2.674 2.607 ( 0.000 -2.132 -1.369) 2.534 2.765 ( 0.000 -0.736 1.480) 1.653 2.771 ( 0.000 -1.273 1.035) 1.640 2.845 ( 0.000 3.742 0.130) 3.745 2.885 ( 0.000 0.277 -3.571) 3.582 3.004 ( 0.000 -3.775 0.399) 3.796 3.025 ( 0.000 -4.932 -1.353) 5.114 3.276 ( 0.000 1.201 5.457) 5.588 3.277 ( 0.000 0.680 4.704) 4.753 3.453 ( 0.000 0.832 -2.622) 2.751 3.458 ( 0.000 -0.185 -4.357) 4.361 3.582 ( 0.000 2.068 -0.653) 2.169 3.626 ( 0.000 -2.152 -5.027) 5.468 3.762 ( 0.000 0.990 0.935) 1.362 3.786 ( 0.000 0.732 -1.004) 1.243 3.993 ( 0.000 2.957 -0.661) 3.030 4.005 ( 0.000 1.805 -1.833) 2.573 4.137 ( 0.000 -3.393 6.035) 6.924 4.207 ( 0.000 -8.654 -0.404) 8.664 4.332 ( 0.000 -0.261 -1.191) 1.219 4.332 ( 0.000 0.844 -0.607) 1.040 4.491 ( 0.000 2.377 3.292) 4.060 4.540 ( 0.000 -1.424 -0.616) 1.552 4.685 ( 0.000 4.375 2.678) 5.130 4.695 ( 0.000 3.226 2.355) 3.994 4.753 ( 0.000 2.553 -1.024) 2.750 4.761 ( 0.000 1.684 -2.559) 3.064 4.868 ( 0.000 -0.238 -0.801) 0.836 4.893 ( 0.000 -2.972 -2.145) 3.665 5.319 ( 0.000 3.148 3.092) 4.412 5.347 ( 0.000 0.184 4.324) 4.328 5.396 ( 0.000 3.520 -0.622) 3.574 5.430 ( 0.000 2.613 1.199) 2.875 5.448 ( 0.000 -0.283 -5.418) 5.425 5.458 ( 0.000 -0.925 2.066) 2.264 5.574 ( 0.000 1.782 -3.081) 3.559 5.589 ( 0.000 0.262 -4.484) 4.492 5.790 ( 0.000 11.143 2.651) 11.453 5.815 ( 0.000 15.649 0.174) 15.650 6.042 ( 0.000 -12.025 7.980) 14.432 6.185 ( 0.000 -18.524 -5.865) 19.431 11.543 ( 0.000 1.811 1.378) 2.276 11.575 ( 0.000 0.646 -1.095) 1.272 11.598 ( 0.000 -2.071 0.349) 2.101 11.627 ( 0.000 -2.976 -1.848) 3.503 12.021 ( 0.000 4.590 2.430) 5.193 12.055 ( 0.000 2.500 -0.213) 2.509 12.162 ( 0.000 0.876 1.693) 1.906 12.213 ( 0.000 -2.967 -2.656) 3.982 15.814 ( 0.000 1.712 -0.315) 1.740 15.816 ( 0.000 1.700 -0.612) 1.807 15.966 ( 0.000 -1.643 -0.275) 1.666 15.973 ( 0.000 -2.034 -0.963) 2.250 16.138 ( 0.000 3.981 2.108) 4.505 16.177 ( 0.000 4.534 -1.264) 4.707 16.221 ( 0.000 -3.179 1.882) 3.695 16.268 ( 0.000 -2.533 -2.737) 3.729 16.308 ( 0.000 -1.484 -0.359) 1.527 16.313 ( 0.000 -3.051 -0.460) 3.085 16.642 ( 0.000 1.758 1.646) 2.408 16.642 ( 0.000 1.682 1.661) 2.364 26.801 ( 0.000 -0.145 0.042) 0.151 26.803 ( 0.000 -0.331 -0.151) 0.364 26.839 ( 0.000 -0.007 0.278) 0.279 26.840 ( 0.000 -0.170 0.137) 0.218 28.980 ( 0.000 0.515 0.126) 0.530 29.007 ( 0.000 -2.127 -2.402) 3.209 29.304 ( 0.000 -0.901 2.929) 3.065 29.306 ( 0.000 0.565 1.912) 1.994 29.341 ( 0.000 -0.861 0.831) 1.197 29.356 ( 0.000 -0.351 -1.350) 1.395 29.728 ( 0.000 -0.942 2.054) 2.260 29.781 ( 0.000 -5.853 -2.952) 6.555 30.165 ( 0.000 2.452 0.708) 2.552 30.171 ( 0.000 1.834 0.112) 1.838 31.751 ( 0.000 3.862 0.897) 3.965 31.792 ( 0.000 -0.157 -3.033) 3.037======================= Grid point 155 (58/60) =======================q-point: ( 0.17 0.44 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 135Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.709 ( 5.760 1.721 1.383) 6.168 1.755 ( 5.379 -2.717 -2.800) 6.645 2.047 ( 1.353 7.103 -3.111) 7.872 2.089 ( 0.656 4.148 -6.591) 7.815 2.190 ( 2.919 6.816 4.687) 8.772 2.239 ( 5.069 3.446 0.737) 6.173 2.556 ( -2.559 1.771 3.599) 4.758 2.604 ( -0.952 -0.758 0.655) 1.382 2.645 ( -7.790 -0.984 -1.199) 7.943 2.681 ( -4.065 -3.235 -2.992) 5.995 2.905 ( 4.446 2.622 0.709) 5.210 2.936 ( 4.068 0.761 -2.294) 4.732 3.042 ( 2.145 -2.733 0.251) 3.483 3.066 ( 2.197 -4.018 -1.695) 4.883 3.295 ( -0.693 0.371 3.666) 3.749 3.317 ( 0.708 -1.505 1.963) 2.572 3.447 ( 0.864 2.391 -1.008) 2.735 3.486 ( 2.434 -0.408 -4.240) 4.906 3.596 ( 0.615 0.100 -1.534) 1.656 3.605 ( -0.018 -0.472 -2.118) 2.170 3.759 ( 2.623 2.919 3.509) 5.264 3.836 ( 3.430 -2.258 -3.587) 5.453 3.993 ( 0.585 1.161 0.824) 1.539 4.033 ( 2.231 -1.287 -2.595) 3.656 4.165 ( 2.481 3.341 4.751) 6.316 4.235 ( 1.821 -1.898 -1.753) 3.161 4.352 ( 2.085 -2.595 0.508) 3.367 4.362 ( 2.077 -1.342 0.151) 2.478 4.478 ( -1.075 2.741 4.178) 5.111 4.529 ( -1.385 -0.719 0.516) 1.644 4.663 ( -2.024 1.987 2.498) 3.780 4.668 ( -2.240 1.422 2.002) 3.324 4.778 ( 2.053 3.950 -0.601) 4.492 4.798 ( 2.150 2.498 -2.582) 4.187 4.866 ( -0.477 -0.976 -2.451) 2.681 4.883 ( -0.399 -2.174 -2.586) 3.402 5.251 ( -4.581 2.600 2.440) 5.805 5.273 ( -5.267 0.394 1.607) 5.521 5.344 ( -4.543 2.244 -2.932) 5.855 5.364 ( -3.872 0.435 -3.520) 5.251 5.453 ( 2.106 2.909 5.072) 6.215 5.506 ( 2.967 -2.185 1.894) 4.143 5.602 ( 0.302 1.193 -3.756) 3.953 5.614 ( 0.776 0.331 -2.982) 3.099 5.788 ( 0.163 9.948 3.138) 10.433 5.824 ( 0.588 12.656 -0.381) 12.675 6.016 ( -2.286 -9.021 8.117) 12.349 6.163 ( -2.169 -16.294 -6.168) 17.557 11.576 ( 2.719 1.399 1.033) 3.228 11.598 ( 2.046 0.206 -0.799) 2.206 11.635 ( 3.073 -1.717 0.292) 3.532 11.656 ( 2.542 -2.787 -1.450) 4.042 12.024 ( 0.191 4.566 2.317) 5.124 12.060 ( 0.316 2.556 -0.596) 2.644 12.136 ( -2.198 0.701 1.614) 2.815 12.185 ( -2.412 -2.670 -2.539) 4.404 15.818 ( 0.516 1.963 -0.074) 2.031 15.826 ( 0.801 1.319 -0.771) 1.725 15.956 ( -0.849 -1.553 -0.067) 1.771 15.963 ( -0.893 -1.868 -0.604) 2.157 16.116 ( -1.807 4.007 1.913) 4.794 16.149 ( -2.230 4.492 -1.107) 5.136 16.202 ( -1.582 -3.982 2.458) 4.940 16.246 ( -2.308 -4.651 -1.694) 5.462 16.337 ( 2.966 -0.028 -0.917) 3.105 16.344 ( 2.442 -0.893 -1.338) 2.924 16.621 ( -1.786 1.372 1.328) 2.614 16.622 ( -1.812 1.224 1.280) 2.534 26.805 ( 0.388 -0.102 0.055) 0.405 26.807 ( 0.383 -0.278 -0.136) 0.493 26.839 ( 0.007 -0.024 0.281) 0.283 26.841 ( 0.023 -0.205 0.098) 0.229 29.001 ( 1.851 0.369 0.405) 1.930 29.026 ( 1.713 -2.157 -2.007) 3.408 29.239 ( -2.634 -0.028 2.254) 3.467 29.258 ( -2.905 -1.973 0.532) 3.551 29.401 ( 3.832 2.023 1.700) 4.655 29.432 ( 3.738 -0.590 -1.382) 4.028 29.721 ( -0.692 -1.940 2.008) 2.876 29.765 ( -1.342 -5.849 -2.274) 6.417 30.260 ( 8.703 2.985 0.941) 9.249 30.276 ( 9.284 1.376 -0.562) 9.402 31.622 ( -11.476 3.941 0.962) 12.171 31.659 ( -11.700 0.237 -2.672) 12.004======================= Grid point 156 (59/60) =======================q-point: ( 0.33 0.44 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 136Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.838 ( 5.853 1.083 1.649) 6.177 1.858 ( 4.202 -0.754 0.274) 4.278 2.042 ( -2.169 5.566 -0.900) 6.041 2.080 ( -2.477 3.019 -3.727) 5.399 2.288 ( 4.489 9.337 5.540) 11.748 2.397 ( 5.658 3.505 -1.757) 6.884 2.458 ( -3.168 -0.668 -0.964) 3.378 2.520 ( -3.468 -1.288 -4.723) 5.999 2.621 ( 4.827 1.347 2.099) 5.433 2.675 ( 3.507 -2.713 -2.449) 5.065 2.976 ( -0.555 4.578 0.140) 4.614 3.007 ( -0.586 4.535 -2.554) 5.237 3.059 ( 1.202 -4.314 0.961) 4.580 3.096 ( 0.770 -4.332 -2.347) 4.987 3.217 ( -4.827 -2.538 0.366) 5.466 3.229 ( -5.556 -2.976 -0.854) 6.361 3.533 ( 5.161 0.800 0.224) 5.228 3.564 ( 4.180 -0.878 -2.120) 4.768 3.623 ( 2.203 -2.069 -1.238) 3.266 3.645 ( 2.102 -2.956 -2.374) 4.335 3.867 ( 6.279 4.821 4.794) 9.255 3.932 ( 4.828 -0.463 -1.679) 5.133 4.031 ( 2.107 1.571 2.091) 3.359 4.080 ( 0.890 -2.008 -1.805) 2.843 4.224 ( 3.354 8.162 2.520) 9.177 4.263 ( 1.018 4.620 -1.469) 4.953 4.401 ( 1.461 -3.361 1.322) 3.896 4.406 ( 2.055 -2.914 1.160) 3.749 4.442 ( -2.471 3.033 3.120) 5.004 4.480 ( -2.676 1.903 1.481) 3.602 4.586 ( -4.842 -2.006 1.336) 5.409 4.607 ( -2.846 -2.668 0.911) 4.006 4.820 ( 1.726 3.821 0.118) 4.195 4.848 ( 2.200 2.455 -3.637) 4.909 4.850 ( -0.407 0.335 -1.686) 1.767 4.879 ( -0.542 -0.927 -4.301) 4.433 5.178 ( -1.354 2.165 0.814) 2.680 5.188 ( -1.423 1.414 0.033) 2.006 5.264 ( -3.169 2.143 0.459) 3.853 5.287 ( -3.497 -0.006 -1.625) 3.856 5.493 ( 1.711 1.557 4.618) 5.165 5.550 ( 0.821 -3.176 2.757) 4.285 5.582 ( -1.555 0.476 -3.003) 3.415 5.601 ( -2.001 -0.931 -1.111) 2.470 5.813 ( 2.090 6.221 1.976) 6.854 5.844 ( 1.987 6.244 -1.170) 6.656 5.956 ( -2.829 -2.625 6.538) 7.592 6.086 ( -4.902 -10.992 -5.683) 13.310 11.644 ( 3.280 0.716 0.510) 3.396 11.656 ( 3.005 -0.031 -0.640) 3.073 11.704 ( 2.638 -1.748 0.626) 3.226 11.718 ( 2.399 -2.614 -0.723) 3.621 12.028 ( 0.339 4.030 1.565) 4.337 12.060 ( -0.452 3.430 -1.398) 3.731 12.084 ( -2.009 -0.264 1.480) 2.509 12.121 ( -3.203 -1.432 -1.826) 3.955 15.838 ( 1.342 2.312 0.286) 2.689 15.850 ( 1.298 1.521 -0.711) 2.123 15.934 ( -1.121 -1.630 0.387) 2.015 15.940 ( -1.085 -1.820 0.043) 2.119 16.076 ( -1.591 3.832 1.161) 4.309 16.095 ( -2.391 3.985 -0.588) 4.684 16.163 ( -1.635 -4.643 1.709) 5.211 16.187 ( -2.715 -4.932 -0.588) 5.661 16.407 ( 3.267 1.634 -0.632) 3.707 16.413 ( 3.369 1.261 -1.333) 3.837 16.572 ( -2.520 -0.189 0.510) 2.579 16.574 ( -2.381 -0.158 0.320) 2.408 26.816 ( 0.549 0.033 0.093) 0.558 26.818 ( 0.534 -0.103 -0.081) 0.550 26.837 ( -0.169 -0.151 0.230) 0.323 26.839 ( -0.189 -0.300 0.042) 0.357 29.056 ( 3.078 0.082 1.004) 3.239 29.076 ( 2.763 -1.928 -0.911) 3.491 29.188 ( -2.409 -0.338 1.954) 3.120 29.202 ( -2.530 -1.764 0.612) 3.145 29.482 ( 3.684 3.035 0.414) 4.791 29.506 ( 3.143 1.570 -1.999) 4.042 29.696 ( -1.613 -4.670 1.114) 5.065 29.724 ( -2.408 -6.597 -1.747) 7.237 30.523 ( 15.093 3.731 1.400) 15.610 30.549 ( 15.424 1.125 -1.086) 15.503 31.293 ( -17.869 4.035 1.232) 18.360 31.326 ( -18.027 0.789 -1.955) 18.150======================= Grid point 157 (60/60) =======================q-point: (-0.50 0.44 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.942 ( -1.784 4.258 2.289) 5.153 1.942 ( 1.784 4.258 2.289) 5.153 1.988 ( -3.051 -0.449 -0.671) 3.156 1.988 ( 3.051 -0.449 -0.671) 3.156 2.377 ( -4.111 6.534 1.017) 7.786 2.377 ( 4.111 6.534 1.017) 7.786 2.463 ( -2.313 -1.492 -4.452) 5.234 2.463 ( 2.313 -1.492 -4.452) 5.234 2.815 ( -8.171 4.305 -0.413) 9.246 2.815 ( 8.171 4.305 -0.413) 9.246 2.860 ( -8.182 0.241 -1.577) 8.336 2.860 ( 8.182 0.241 -1.577) 8.336 3.118 ( -1.424 -1.569 -0.376) 2.152 3.118 ( 1.424 -1.569 -0.376) 2.152 3.158 ( -1.187 -5.336 -0.921) 5.543 3.158 ( 1.187 -5.336 -0.921) 5.543 3.608 ( -1.076 0.635 -1.792) 2.185 3.608 ( 1.076 0.635 -1.792) 2.185 3.663 ( -0.944 -4.272 -0.524) 4.406 3.663 ( 0.944 -4.272 -0.524) 4.406 3.986 ( -2.869 3.767 1.620) 5.005 3.986 ( 2.869 3.767 1.620) 5.005 4.047 ( -2.113 -1.946 1.278) 3.144 4.047 ( 2.113 -1.946 1.278) 3.144 4.307 ( -0.685 12.310 1.780) 12.457 4.307 ( 0.685 12.310 1.780) 12.457 4.385 ( -3.080 2.864 -1.731) 4.548 4.385 ( 3.080 2.864 -1.731) 4.548 4.432 ( -0.926 -1.282 2.538) 2.990 4.432 ( 0.926 -1.282 2.538) 2.990 4.551 ( -2.153 -9.233 0.770) 9.512 4.551 ( 2.153 -9.233 0.770) 9.512 4.844 ( -0.616 3.159 -1.025) 3.378 4.844 ( 0.616 3.159 -1.025) 3.378 4.872 ( -0.064 0.284 -3.199) 3.212 4.872 ( 0.064 0.284 -3.199) 3.212 5.197 ( -2.544 2.979 0.678) 3.975 5.197 ( 2.544 2.979 0.678) 3.975 5.213 ( -2.957 1.360 -0.607) 3.311 5.213 ( 2.957 1.360 -0.607) 3.311 5.541 ( -2.758 -1.104 2.338) 3.781 5.541 ( 2.758 -1.104 2.338) 3.781 5.558 ( -0.399 -2.511 0.536) 2.598 5.558 ( 0.399 -2.511 0.536) 2.598 5.862 ( -2.203 5.470 2.432) 6.378 5.862 ( 2.203 5.470 2.432) 6.378 5.968 ( -5.108 -5.241 -2.801) 7.836 5.968 ( 5.108 -5.241 -2.801) 7.836 11.696 ( -0.523 0.853 0.183) 1.017 11.696 ( 0.523 0.853 0.183) 1.017 11.734 ( -0.590 -2.912 -0.089) 2.972 11.734 ( 0.590 -2.912 -0.089) 2.972 12.045 ( -0.913 2.776 -0.038) 2.923 12.045 ( 0.913 2.776 -0.038) 2.923 12.068 ( -0.884 0.317 -0.316) 0.991 12.068 ( 0.884 0.317 -0.316) 0.991 15.864 ( -0.505 2.974 -0.045) 3.017 15.864 ( 0.505 2.974 -0.045) 3.017 15.921 ( -0.343 -2.608 0.475) 2.673 15.921 ( 0.343 -2.608 0.475) 2.673 16.061 ( -0.486 3.692 0.185) 3.729 16.061 ( 0.486 3.692 0.185) 3.729 16.148 ( -0.555 -4.918 0.479) 4.972 16.148 ( 0.555 -4.918 0.479) 4.972 16.458 ( -0.337 4.369 -0.295) 4.391 16.458 ( 0.337 4.369 -0.295) 4.391 16.535 ( -0.187 -3.012 -0.489) 3.057 16.535 ( 0.187 -3.012 -0.489) 3.057 26.825 ( -0.102 0.324 0.087) 0.351 26.825 ( 0.102 0.324 0.087) 0.351 26.834 ( -0.105 -0.563 0.051) 0.575 26.834 ( 0.105 -0.563 0.051) 0.575 29.123 ( -2.207 0.077 1.379) 2.604 29.123 ( 2.207 0.077 1.379) 2.604 29.144 ( -2.043 -1.988 0.366) 2.875 29.144 ( 2.043 -1.988 0.366) 2.875 29.543 ( -0.880 4.915 -0.946) 5.082 29.543 ( 0.880 4.915 -0.946) 5.082 29.678 ( -0.973 -8.430 -0.879) 8.531 29.678 ( 0.973 -8.430 -0.879) 8.531 30.881 ( -10.976 5.060 0.768) 12.110 30.881 ( 10.976 5.060 0.768) 12.110 30.932 ( -11.105 0.060 -0.645) 11.124 30.932 ( 11.105 0.060 -0.645) 11.124=================== 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 3/22680 10.0 392.659 396.885 249.369 0.000 0.000 0.000 3/22680 20.0 43.447 42.129 32.625 0.000 0.000 -0.000 3/22680 30.0 15.791 15.461 11.851 0.000 0.000 -0.000 3/22680 40.0 8.758 8.633 6.557 0.000 0.000 -0.000 3/22680 50.0 5.933 5.923 4.471 0.000 0.000 -0.000 3/22680 60.0 4.494 4.555 3.424 0.000 0.000 -0.000 3/22680 70.0 3.640 3.746 2.808 0.000 0.000 -0.000 3/22680 80.0 3.078 3.211 2.402 0.000 0.000 -0.000 3/22680 90.0 2.678 2.827 2.111 0.000 0.000 -0.000 3/22680 100.0 2.378 2.535 1.890 0.000 0.000 -0.000 3/22680 110.0 2.143 2.303 1.715 0.000 0.000 -0.000 3/22680 120.0 1.954 2.114 1.572 0.000 0.000 -0.000 3/22680 130.0 1.797 1.956 1.453 0.000 0.000 -0.000 3/22680 140.0 1.666 1.822 1.351 0.000 0.000 -0.000 3/22680 150.0 1.554 1.706 1.263 0.000 0.000 -0.000 3/22680 160.0 1.458 1.605 1.187 0.000 0.000 -0.000 3/22680 170.0 1.375 1.516 1.119 0.000 0.000 -0.000 3/22680 180.0 1.302 1.438 1.060 0.000 0.000 -0.000 3/22680 190.0 1.238 1.368 1.006 0.000 0.000 -0.000 3/22680 200.0 1.182 1.305 0.959 0.000 0.000 -0.000 3/22680 210.0 1.132 1.248 0.915 0.000 0.000 -0.000 3/22680 220.0 1.087 1.197 0.876 0.000 0.000 -0.000 3/22680 230.0 1.048 1.151 0.841 0.000 0.000 -0.000 3/22680 240.0 1.012 1.108 0.808 0.000 0.000 -0.000 3/22680 250.0 0.980 1.069 0.778 0.000 0.000 -0.000 3/22680 260.0 0.951 1.033 0.751 0.000 0.000 -0.000 3/22680 270.0 0.924 1.000 0.725 0.000 0.000 -0.000 3/22680 280.0 0.900 0.969 0.702 0.000 0.000 -0.000 3/22680 290.0 0.878 0.940 0.680 0.000 0.000 -0.000 3/22680 300.0 0.857 0.914 0.659 0.000 0.000 -0.000 3/22680 310.0 0.838 0.889 0.640 0.000 0.000 -0.000 3/22680 320.0 0.821 0.865 0.622 0.000 0.000 -0.000 3/22680 330.0 0.804 0.843 0.605 0.000 0.000 -0.000 3/22680 340.0 0.789 0.823 0.590 0.000 0.000 -0.000 3/22680 350.0 0.774 0.803 0.575 0.000 0.000 -0.000 3/22680 360.0 0.760 0.784 0.560 0.000 0.000 -0.000 3/22680 370.0 0.747 0.767 0.547 0.000 0.000 -0.000 3/22680 380.0 0.735 0.750 0.534 0.000 0.000 -0.000 3/22680 390.0 0.723 0.734 0.522 0.000 0.000 -0.000 3/22680 400.0 0.711 0.718 0.511 0.000 0.000 -0.000 3/22680 410.0 0.700 0.704 0.499 0.000 0.000 -0.000 3/22680 420.0 0.690 0.690 0.489 0.000 0.000 -0.000 3/22680 430.0 0.679 0.677 0.479 0.000 0.000 -0.000 3/22680 440.0 0.670 0.664 0.469 0.000 0.000 -0.000 3/22680 450.0 0.660 0.651 0.460 0.000 0.000 -0.000 3/22680 460.0 0.651 0.639 0.451 0.000 0.000 -0.000 3/22680 470.0 0.642 0.628 0.443 0.000 0.000 -0.000 3/22680 480.0 0.633 0.617 0.434 0.000 0.000 -0.000 3/22680 490.0 0.625 0.606 0.427 0.000 0.000 -0.000 3/22680 500.0 0.616 0.596 0.419 0.000 0.000 -0.000 3/22680 510.0 0.608 0.586 0.412 0.000 0.000 -0.000 3/22680 520.0 0.601 0.577 0.404 0.000 0.000 -0.000 3/22680 530.0 0.593 0.567 0.398 0.000 0.000 -0.000 3/22680 540.0 0.585 0.558 0.391 0.000 0.000 -0.000 3/22680 550.0 0.578 0.550 0.385 0.000 0.000 -0.000 3/22680 560.0 0.571 0.541 0.379 0.000 0.000 -0.000 3/22680 570.0 0.564 0.533 0.373 0.000 0.000 -0.000 3/22680 580.0 0.557 0.525 0.367 0.000 0.000 -0.000 3/22680 590.0 0.551 0.517 0.361 0.000 0.000 -0.000 3/22680 600.0 0.544 0.510 0.356 0.000 0.000 -0.000 3/22680 610.0 0.538 0.503 0.350 0.000 0.000 -0.000 3/22680 620.0 0.531 0.496 0.345 0.000 0.000 -0.000 3/22680 630.0 0.525 0.489 0.340 0.000 0.000 -0.000 3/22680 640.0 0.519 0.482 0.335 0.000 0.000 -0.000 3/22680 650.0 0.513 0.476 0.331 0.000 0.000 -0.000 3/22680 660.0 0.508 0.469 0.326 0.000 0.000 -0.000 3/22680 670.0 0.502 0.463 0.322 0.000 0.000 -0.000 3/22680 680.0 0.496 0.457 0.317 0.000 0.000 -0.000 3/22680 690.0 0.491 0.451 0.313 0.000 0.000 -0.000 3/22680 700.0 0.486 0.445 0.309 0.000 0.000 -0.000 3/22680 710.0 0.480 0.440 0.305 0.000 0.000 -0.000 3/22680 720.0 0.475 0.434 0.301 0.000 0.000 -0.000 3/22680 730.0 0.470 0.429 0.297 0.000 0.000 -0.000 3/22680 740.0 0.465 0.424 0.294 0.000 0.000 -0.000 3/22680 750.0 0.460 0.419 0.290 0.000 0.000 -0.000 3/22680 760.0 0.456 0.414 0.286 0.000 0.000 -0.000 3/22680 770.0 0.451 0.409 0.283 0.000 0.000 -0.000 3/22680 780.0 0.446 0.404 0.280 0.000 0.000 -0.000 3/22680 790.0 0.442 0.400 0.276 0.000 0.000 -0.000 3/22680 800.0 0.437 0.395 0.273 0.000 0.000 -0.000 3/22680 810.0 0.433 0.391 0.270 0.000 0.000 -0.000 3/22680 820.0 0.429 0.386 0.267 0.000 0.000 -0.000 3/22680 830.0 0.425 0.382 0.264 0.000 0.000 -0.000 3/22680 840.0 0.421 0.378 0.261 0.000 0.000 -0.000 3/22680 850.0 0.416 0.374 0.258 0.000 0.000 -0.000 3/22680 860.0 0.413 0.370 0.255 0.000 0.000 -0.000 3/22680 870.0 0.409 0.366 0.252 0.000 0.000 -0.000 3/22680 880.0 0.405 0.362 0.250 0.000 0.000 -0.000 3/22680 890.0 0.401 0.359 0.247 0.000 0.000 -0.000 3/22680 900.0 0.397 0.355 0.245 0.000 0.000 -0.000 3/22680 910.0 0.394 0.351 0.242 0.000 0.000 -0.000 3/22680 920.0 0.390 0.348 0.240 0.000 0.000 -0.000 3/22680 930.0 0.386 0.344 0.237 0.000 0.000 -0.000 3/22680 940.0 0.383 0.341 0.235 0.000 0.000 -0.000 3/22680 950.0 0.380 0.338 0.232 0.000 0.000 -0.000 3/22680 960.0 0.376 0.334 0.230 0.000 0.000 -0.000 3/22680 970.0 0.373 0.331 0.228 0.000 0.000 -0.000 3/22680 980.0 0.370 0.328 0.226 0.000 0.000 -0.000 3/22680 990.0 0.366 0.325 0.223 0.000 0.000 -0.000 3/22680 1000.0 0.363 0.322 0.221 0.000 0.000 -0.000 3/22680Thermal conductivity related properties were written into "kappa-m695.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 22:10:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|