Generated using "atomic" code by A. Dal Corso v.6.2.2 Author: ADC Generation date: 7May2018 Pseudopotential type: PAW Element: Np Functional: SLA PW PBX PBC Suggested minimum cutoff for wavefunctions: 111. Ry Suggested minimum cutoff for charge density: 551. Ry The Pseudo was generated with a Scalar-Relativistic Calculation Local Potential by smoothing AE potential with Bessel fncs, cutoff radius: 2.1000 Pseudopotential contains additional information for GIPAW reconstruction. Valence configuration: nl pn l occ Rcut Rcut US E pseu 6S 1 0 2.00 1.400 1.600 -3.777510 7S 2 0 2.00 1.400 1.600 -0.330855 6P 2 1 6.00 1.300 2.100 -1.842604 6D 3 2 1.50 1.500 2.200 -0.195975 5F 4 3 3.50 1.100 1.300 -0.429734 Generation configuration: 6S 1 0 2.00 1.400 1.600 -3.777555 7S 2 0 2.00 1.400 1.600 -0.330862 6P 2 1 6.00 1.300 2.100 -1.842640 7P 3 1 0.00 1.300 2.100 5.000000 6D 3 2 1.50 1.500 2.200 -0.195990 6D 3 2 0.00 1.500 2.200 4.800000 5F 4 3 3.50 1.100 1.300 -0.429789 5F 4 3 0.00 1.100 1.300 3.100000 Pseudization used: troullier-martins &input title='Np', zed=93.0, rel=1, config='[Rn] 6d1.5 7s2.0 7p0. 5f3.5', iswitch=3, dft='PBE' / &inputp lpaw=.true., use_xsd=.FALSE., pseudotype=3, file_pseudopw='Np.pbe-spfn-kjpaw_psl.1.0.0.UPF', author='ADC', lloc=-1, rcloc=2.1, which_augfun='PSQ', rmatch_augfun_nc=.true., nlcc=.true., new_core_ps=.true., rcore=1.1, tm=.true. / 8 6S 1 0 2.00 0.00 1.40 1.60 0.0 7S 2 0 2.00 0.00 1.40 1.60 0.0 6P 2 1 6.00 0.00 1.30 2.10 0.0 7P 3 1 0.00 5.00 1.30 2.10 0.0 6D 3 2 1.50 0.00 1.50 2.20 0.0 6D 3 2 0.00 4.80 1.50 2.20 0.0 5F 4 3 3.50 0.00 1.10 1.30 0.0 5F 4 3 0.00 3.10 1.10 1.30 0.0 9.805182425317376e-6 9.928516437301315e-6 1.005340180017830e-5 1.017985802754036e-5 1.030790487843032e-5 1.043756236042913e-5 1.056885073278214e-5 1.070179050956464e-5 1.083640246288721e-5 1.097270762614145e-5 1.111072729728642e-5 1.125048304217654e-5 1.139199669793129e-5 1.153529037634728e-5 1.168038646735331e-5 1.182730764250880e-5 1.197607685854627e-5 1.212671736095841e-5 1.227925268763018e-5 1.243370667251675e-5 1.259010344936747e-5 1.274846745549691e-5 1.290882343560324e-5 1.307119644563457e-5 1.323561185670410e-5 1.340209535905430e-5 1.357067296607112e-5 1.374137101834865e-5 1.391421618780482e-5 1.408923548184903e-5 1.426645624760206e-5 1.444590617616910e-5 1.462761330696660e-5 1.481160603210341e-5 1.499791310081719e-5 1.518656362396647e-5 1.537758707857930e-5 1.557101331245909e-5 1.576687254884842e-5 1.596519539115147e-5 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