Generated using "atomic" code by A. Dal Corso v.6.2.2 Author: ADC Generation date: 4May2018 Pseudopotential type: USPP Element: Lu Functional: PBE Suggested minimum cutoff for wavefunctions: 46. Ry Suggested minimum cutoff for charge density: 346. Ry The Pseudo was generated with a Fully-Relativistic Calculation Local Potential by smoothing AE potential with Bessel fncs, cutoff radius: 1.8000 Pseudopotential contains additional information for spin-orbit calculations. Valence configuration: nl pn l occ Rcut Rcut US E pseu 5S 1 0 2.00 1.100 1.400 -4.513162 6S 2 0 1.50 1.100 1.400 -0.365869 5P 2 1 2.00 1.100 1.500 -2.724856 5P 2 1 4.00 1.100 1.500 -2.219658 6P 3 1 0.50 1.100 1.500 -0.135435 6P 3 1 0.00 1.100 1.500 -0.110532 5D 3 2 1.00 1.100 2.000 -0.172425 5D 3 2 0.00 1.100 2.000 -0.148282 Generation configuration: 5S 1 0 2.00 1.100 1.400 -4.513164 6S 2 0 1.50 1.100 1.400 -0.365872 5P 2 1 2.00 1.100 1.500 -2.724856 5P 2 1 4.00 1.100 1.500 -2.219652 6P 3 1 0.50 1.100 1.500 -0.135440 6P 3 1 0.00 1.100 1.500 -0.110532 5D 3 2 1.00 1.100 2.000 -0.172430 5D 3 2 0.00 1.100 2.000 -0.148280 5D 3 2 0.00 1.100 2.000 2.000000 5D 3 2 0.00 1.100 2.000 2.000000 Pseudization used: troullier-martins &input title='Lu', zed=71.0, rel=2, config='[Xe] 4f14.0 5d1.0 6s1.5 6p0.5', iswitch=3, dft='PBE' / &inputp lpaw=.false., use_xsd=.FALSE., pseudotype=3, file_pseudopw='Lu.rel-pbe-spdn-rrkjus_psl.1.0.0.UPF', author='ADC', lloc=-1, rcloc=1.8, 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 1.10 1.40 0.0 6S 2 0 1.50 0.00 1.10 1.40 0.0 5P 2 1 6.00 0.00 1.10 1.50 0.0 6P 3 1 0.50 0.00 1.10 1.50 0.0 5D 3 2 1.00 0.00 1.10 2.00 0.0 5D 3 2 0.00 2.00 1.10 2.00 0.0 1.284340796555657e-5 1.300495815026792e-5 1.316854038614905e-5 1.333418023325710e-5 1.350190357315521e-5 1.367173661295646e-5 1.384370588941886e-5 1.401783827309171e-5 1.419416097251423e-5 1.437270153846697e-5 1.455348786827658e-5 1.473654821017491e-5 1.492191116771282e-5 1.510960570422953e-5 1.529966114737828e-5 1.549210719370871e-5 1.568697391330709e-5 1.588429175449482e-5 1.608409154858602e-5 1.628640451470504e-5 1.649126226466443e-5 1.669869680790441e-5 1.690874055649438e-5 1.712142633019739e-5 1.733678736159833e-5 1.755485730129647e-5 1.777567022316359e-5 1.799926062966795e-5 1.822566345726546e-5 1.845491408185859e-5 1.868704832432382e-5 1.892210245610883e-5 1.916011320489991e-5 1.940111776036080e-5 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