Generated using "atomic" code by A. Dal Corso v.6.2.2 Author: ADC Generation date: 4May2018 Pseudopotential type: USPP Element: Yb Functional: PBE Suggested minimum cutoff for wavefunctions: 41. Ry Suggested minimum cutoff for charge density: 283. Ry The Pseudo was generated with a Fully-Relativistic Calculation Local Potential by smoothing AE potential with Bessel fncs, cutoff radius: 1.9000 Pseudopotential contains additional information for spin-orbit calculations. Valence configuration: nl pn l occ Rcut Rcut US E pseu 5S 1 0 2.00 1.150 1.600 -4.082613 6S 2 0 1.50 1.150 1.600 -0.317938 5P 2 1 2.00 1.150 1.600 -2.389634 5P 2 1 4.00 1.150 1.600 -1.942218 6P 3 1 0.50 1.150 1.600 -0.118181 6P 3 1 0.00 1.150 1.600 -0.098725 5D 3 2 0.00 1.150 1.800 -0.093245 5D 3 2 0.00 1.150 1.800 -0.078431 Generation configuration: 5S 1 0 2.00 1.150 1.600 -4.082614 6S 2 0 1.50 1.150 1.600 -0.317940 5P 2 1 2.00 1.150 1.600 -2.389634 5P 2 1 4.00 1.150 1.600 -1.942214 6P 3 1 0.50 1.150 1.600 -0.118184 6P 3 1 0.00 1.150 1.600 -0.098725 5D 3 2 0.00 1.150 1.800 -0.093254 5D 3 2 0.00 1.150 1.800 -0.078430 5D 3 2 0.00 1.150 1.800 2.000000 5D 3 2 0.00 1.150 1.800 2.000000 Pseudization used: troullier-martins &input title='Yb', zed=70.0, rel=2, config='[Xe] 4f14.0 5d0.0 6s1.5 6p0.5', iswitch=3, dft='PBE' / &inputp lpaw=.false., use_xsd=.FALSE., pseudotype=3, file_pseudopw='Yb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF', author='ADC', lloc=-1, rcloc=1.9, which_augfun='PSQ', rmatch_augfun_nc=.true., nlcc=.true., new_core_ps=.true., rcore=1.1, tm=.true. / 6 5S 1 0 2.00 0.00 1.15 1.60 0.0 6S 2 0 1.50 0.00 1.15 1.60 0.0 5P 2 1 6.00 0.00 1.15 1.60 0.0 6P 3 1 0.50 0.00 1.15 1.60 0.0 5D 3 2 0.00 0.00 1.15 1.80 0.0 5D 3 2 0.00 2.00 1.15 1.80 0.0 1.302688522220738e-5 1.319074326670032e-5 1.335666239166546e-5 1.352466852230363e-5 1.369478790991457e-5 1.386704713599870e-5 1.404147311641055e-5 1.421809310556444e-5 1.439693470069300e-5 1.457802584615935e-5 1.476139483782338e-5 1.494707032746312e-5 1.513508132725157e-5 1.532545721428995e-5 1.551822773519797e-5 1.571342301076169e-5 1.591107354064004e-5 1.611121020813046e-5 1.631386428499439e-5 1.651906743634368e-5 1.672685172558821e-5 1.693724961944590e-5 1.715029399301573e-5 1.736601813491449e-5 1.758445575247830e-5 1.780564097702928e-5 1.802960836920878e-5 1.825639292437750e-5 1.848603007808354e-5 1.871855571159943e-5 1.895400615752845e-5 1.919241820548181e-5 1.943382910782706e-5 1.967827658550882e-5 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