Generated using "atomic" code by A. Dal Corso v.6.2.2 Author: ADC Generation date: 4May2018 Pseudopotential type: USPP Element: Sm Functional: LDA Suggested minimum cutoff for wavefunctions: 34. Ry Suggested minimum cutoff for charge density: 195. Ry The Pseudo was generated with a Fully-Relativistic Calculation Local Potential by smoothing AE potential with Bessel fncs, cutoff radius: 2.0000 Pseudopotential contains additional information for spin-orbit calculations. Valence configuration: nl pn l occ Rcut Rcut US E pseu 5S 1 0 2.00 1.400 1.700 -3.469209 6S 2 0 1.50 1.400 1.700 -0.326841 5P 2 1 2.00 1.400 1.800 -2.146808 5P 2 1 4.00 1.400 1.800 -1.865935 6P 3 1 0.50 1.400 1.800 -0.134323 6P 3 1 0.00 1.400 1.800 -0.116500 5D 3 2 1.00 1.400 2.000 -0.253232 5D 3 2 0.00 1.400 2.000 -0.234421 Generation configuration: 5S 1 0 2.00 1.400 1.700 -3.469211 6S 2 0 1.50 1.400 1.700 -0.326844 5P 2 1 2.00 1.400 1.800 -2.146808 5P 2 1 4.00 1.400 1.800 -1.865931 6P 3 1 0.50 1.400 1.800 -0.134327 6P 3 1 0.00 1.400 1.800 -0.116501 5D 3 2 1.00 1.400 2.000 -0.253239 5D 3 2 0.00 1.400 2.000 -0.234419 5D 3 2 0.00 1.400 2.000 2.000000 5D 3 2 0.00 1.400 2.000 2.000000 Pseudization used: troullier-martins &input title='Sm', zed=62.0, rel=2, config='[Xe] 4f5.0 5d1.0 6s1.5 6p0.5', iswitch=3, dft='LDA' / &inputp lpaw=.false., use_xsd=.FALSE., pseudotype=3, file_pseudopw='Sm.rel-pz-spdn-rrkjus_psl.1.0.0.UPF', author='ADC', lloc=-1, rcloc=2.0, 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 1.40 1.70 0.0 6S 2 0 1.50 0.00 1.40 1.70 0.0 5P 2 1 6.00 0.00 1.40 1.80 0.0 6P 3 1 0.50 0.00 1.40 1.80 0.0 5D 3 2 1.00 0.00 1.40 2.00 0.0 5D 3 2 0.00 2.00 1.40 2.00 0.0 1.470777363797607e-5 1.489277465595198e-5 1.508010270026745e-5 1.526978704131055e-5 1.546185731764548e-5 1.565634354064369e-5 1.585327609917320e-5 1.605268576434695e-5 1.625460369433082e-5 1.645906143921217e-5 1.666609094592963e-5 1.687572456326482e-5 1.708799504689694e-5 1.730293556452092e-5 1.752057970102996e-5 1.774096146376320e-5 1.796411528781941e-5 1.819007604143762e-5 1.841887903144528e-5 1.865056000877512e-5 1.888515517405120e-5 1.912270118324537e-5 1.936323515340485e-5 1.960679466845185e-5 1.985341778505614e-5 2.010314303858145e-5 2.035600944910669e-5 2.061205652752297e-5 2.087132428170722e-5 2.113385322277355e-5 2.139968437140309e-5 2.166885926425366e-5 2.194141996044990e-5 2.221740904815511e-5 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