Generated using "atomic" code by A. Dal Corso v.6.2.2 Author: ADC Generation date: 4May2018 Pseudopotential type: PAW Element: Pr Functional: SLA PZ NOGX NOGC Suggested minimum cutoff for wavefunctions: 41. Ry Suggested minimum cutoff for charge density: 309. Ry The Pseudo was generated with a Scalar-Relativistic Calculation Local Potential by smoothing AE potential with Bessel fncs, cutoff radius: 2.0000 Pseudopotential contains additional information for GIPAW reconstruction. Valence configuration: nl pn l occ Rcut Rcut US E pseu 5S 1 0 2.00 1.300 1.600 -3.152536 6S 2 0 1.50 1.300 1.600 -0.316064 5P 2 1 6.00 1.400 1.800 -1.810723 6P 3 1 0.50 1.400 1.800 -0.124737 5D 3 2 1.00 1.100 1.700 -0.265655 Generation configuration: 5S 1 0 2.00 1.300 1.600 -3.152572 6S 2 0 1.50 1.300 1.600 -0.316071 5P 2 1 6.00 1.400 1.800 -1.810747 6P 3 1 0.50 1.400 1.800 -0.124740 5D 3 2 1.00 1.100 1.700 -0.265670 5D 3 2 0.00 1.100 1.700 2.000000 Pseudization used: troullier-martins &input title='Pr', zed=59.0, rel=1, config='[Xe] 4f2.0 5d1.0 6s1.5 6p0.5', iswitch=3, dft='LDA' / &inputp lpaw=.true., use_xsd=.FALSE., pseudotype=3, file_pseudopw='Pr.pz-spdn-kjpaw_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=1.4, tm=.true. / 6 5S 1 0 2.00 0.00 1.30 1.60 0.0 6S 2 0 1.50 0.00 1.30 1.60 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 1.10 1.70 0.0 5D 3 2 0.00 2.00 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