Generated using "atomic" code by A. Dal Corso v.6.2.2 Author: ADC Generation date: 7May2018 Pseudopotential type: PAW Element: Fr Functional: SLA PW PBX PBC Suggested minimum cutoff for wavefunctions: 63. Ry Suggested minimum cutoff for charge density: 506. Ry The Pseudo was generated with a Scalar-Relativistic Calculation Local Potential by smoothing AE potential with Bessel fncs, cutoff radius: 2.2000 Pseudopotential contains additional information for GIPAW reconstruction. Valence configuration: nl pn l occ Rcut Rcut US E pseu 6S 1 0 2.00 1.000 2.100 -2.091417 7S 2 0 1.00 1.000 2.100 -0.159439 6P 2 1 6.00 1.200 2.100 -0.897228 5D 3 2 10.00 0.850 1.500 -4.234958 Generation configuration: 6S 1 0 2.00 1.000 2.100 -2.091426 7S 2 0 1.00 1.000 2.100 -0.159442 6P 2 1 6.00 1.200 2.100 -0.897232 7P 3 1 0.00 1.200 2.100 6.500000 5D 3 2 10.00 0.850 1.500 -4.234977 5D 3 2 -2.00 0.850 1.500 -3.200000 Pseudization used: troullier-martins &input title='Fr', zed=87., rel=1, config='[Xe] 4f14.0 5d10.0 6s2.0 6p6.0 6d-2.0 7s1. 7p-1.', iswitch=3, dft='PBE' / &inputp lpaw=.true., use_xsd=.FALSE., pseudotype=3, file_pseudopw='Fr.pbe-spdn-kjpaw_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 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