Generated using "atomic" code by A. Dal Corso v.6.2.2 Author: ADC Generation date: 7May2018 Pseudopotential type: USPP Element: Fr Functional: LDA Suggested minimum cutoff for wavefunctions: 67. Ry Suggested minimum cutoff for charge density: 509. Ry The Pseudo was generated with a Fully-Relativistic Calculation Local Potential by smoothing AE potential with Bessel fncs, cutoff radius: 2.2000 Pseudopotential contains additional information for spin-orbit calculations. Valence configuration: nl pn l occ Rcut Rcut US E pseu 6S 1 0 2.00 1.000 2.100 -2.093952 7S 2 0 1.00 1.000 2.100 -0.171858 6P 2 1 2.00 1.200 2.100 -1.157445 6P 2 1 4.00 1.200 2.100 -0.817919 5D 3 2 4.00 0.850 1.500 -4.432044 5D 3 2 6.00 0.850 1.500 -4.065152 Generation configuration: 6S 1 0 2.00 1.000 2.100 -2.093951 7S 2 0 1.00 1.000 2.100 -0.171859 6P 2 1 2.00 1.200 2.100 -1.157444 6P 2 1 4.00 1.200 2.100 -0.817914 7P 3 1 0.00 1.200 2.100 6.500000 7P 3 1 0.00 1.200 2.100 6.500000 5D 3 2 4.00 0.850 1.500 -4.432045 5D 3 2 6.00 0.850 1.500 -4.065153 5D 3 2 -2.00 0.850 1.500 -3.200000 5D 3 2 0.00 0.850 1.500 -3.200000 Pseudization used: troullier-martins &input title='Fr', zed=87., rel=2, config='[Xe] 4f14.0 5d10.0 6s2.0 6p6.0 6d-2.0 7s1. 7p-1.', iswitch=3, dft='LDA' / &inputp lpaw=.false., use_xsd=.FALSE., pseudotype=3, file_pseudopw='Fr.rel-pz-spdn-rrkjus_psl.1.0.0.UPF', author='ADC', lloc=-1, rcloc=2.2, which_augfun='PSQ', rmatch_augfun_nc=.true., nlcc=.true., new_core_ps=.true., rcore=1.2, tm=.true. / 6 6S 1 0 2.00 0.00 1.00 2.10 0.0 7S 2 0 1.00 0.00 1.00 2.10 0.0 6P 2 1 6.00 0.00 1.20 2.10 0.0 7P 3 1 0.00 6.50 1.20 2.10 0.0 5D 3 2 10.00 0.00 0.85 1.50 0.0 5D 3 2 -2.00 -3.20 0.85 1.50 0.0 1.048140190292547e-5 1.061324170883934e-5 1.074673985536302e-5 1.088191720185349e-5 1.101879487004620e-5 1.115739424735527e-5 1.129773699021539e-5 1.143984502746564e-5 1.158374056377598e-5 1.172944608311672e-5 1.187698435227169e-5 1.202637842439562e-5 1.217765164261621e-5 1.233082764368157e-5 1.248593036165354e-5 1.264298403164734e-5 1.280201319361842e-5 1.296304269619692e-5 1.312609770057020e-5 1.329120368441446e-5 1.345838644587557e-5 1.362767210760015e-5 1.379908712081725e-5 1.397265826947143e-5 1.414841267440783e-5 1.432637779760977e-5 1.450658144648982e-5 1.468905177823476e-5 1.487381730420515e-5 1.506090689439034e-5 1.525034978191944e-5 1.544217556762905e-5 1.563641422468844e-5 1.583309610328295e-5 1.603225193535631e-5 1.623391283941243e-5 1.643811032537787e-5 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