Generated using "atomic" code by A. Dal Corso v.6.2.2 Author: ADC Generation date: 7May2018 Pseudopotential type: PAW Element: Ac Functional: SLA PW PBX PBC Suggested minimum cutoff for wavefunctions: 48. Ry Suggested minimum cutoff for charge density: 329. 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. 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 1.700 -2.955164 7S 2 0 2.00 1.400 1.700 -0.286440 6P 2 1 2.00 1.600 2.200 -1.833187 6P 2 1 4.00 1.600 2.200 -1.341437 7P 3 1 0.00 1.600 2.200 -0.112552 7P 3 1 0.00 1.600 2.200 -0.076859 6D 3 2 1.00 1.600 2.200 -0.176732 6D 3 2 0.00 1.600 2.200 -0.149413 Generation configuration: 6S 1 0 2.00 1.400 1.700 -2.955157 7S 2 0 2.00 1.400 1.700 -0.286440 6P 2 1 2.00 1.600 2.200 -1.833180 6P 2 1 4.00 1.600 2.200 -1.341427 7P 3 1 0.00 1.600 2.200 -0.112553 7P 3 1 0.00 1.600 2.200 -0.076859 6D 3 2 1.00 1.600 2.200 -0.176736 6D 3 2 0.00 1.600 2.200 -0.149409 6D 3 2 -2.00 1.600 2.200 4.800000 6D 3 2 0.00 1.600 2.200 4.800000 5F 4 3 0.00 1.300 1.800 0.100000 5F 4 3 0.00 1.300 1.800 0.100000 5F 4 3 -2.00 1.300 1.800 -0.700000 5F 4 3 0.00 1.300 1.800 -0.700000 Pseudization used: troullier-martins &input title='Ac', zed=89.0, rel=2, config='[Rn] 6d1.0 7s2.0 7p0. 5f0', iswitch=3, dft='PBE' / &inputp lpaw=.true., use_xsd=.FALSE., pseudotype=3, file_pseudopw='Ac.rel-pbe-spfn-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=1.5, tm=.true. / 8 6S 1 0 2.00 0.00 1.40 1.70 0.0 7S 2 0 2.00 0.00 1.40 1.70 0.0 6P 2 1 6.00 0.00 1.60 2.20 0.0 7P 3 1 0.00 0.00 1.60 2.20 0.0 6D 3 2 1.00 0.00 1.60 2.20 0.0 6D 3 2 -2.00 4.80 1.60 2.20 0.0 5F 4 3 0.00 0.10 1.30 1.80 0.0 5F 4 3 -2.00 -0.70 1.30 1.80 0.0 1.024586478151142e-5 1.037474189515755e-5 1.050524008333238e-5 1.063737973664330e-5 1.077118150218000e-5 1.090666628674055e-5 1.104385526009819e-5 1.118276985830911e-5 1.132343178706192e-5 1.146586302506915e-5 1.161008582750154e-5 1.175612272946538e-5 1.190399654952371e-5 1.205373039326176e-5 1.220534765689728e-5 1.235887203093616e-5 1.251432750387419e-5 1.267173836594531e-5 1.283112921291694e-5 1.299252494993324e-5 1.315595079540645e-5 1.332143228495745e-5 1.348899527540562e-5 1.365866594880915e-5 1.383047081655597e-5 1.400443672350618e-5 1.418059085218668e-5 1.435896072703847e-5 1.453957421871739e-5 1.472245954844899e-5 1.490764529243811e-5 1.509516038633401e-5 1.528503412975162e-5 1.547729619084963e-5 1.567197661096628e-5 1.586910580931328e-5 1.606871458772893e-5 1.627083413549096e-5 1.647549603418992e-5 1.668273226266390e-5 1.689257520199519e-5 1.710505764057002e-5 1.732021277920169e-5 1.753807423631834e-5 1.775867605321592e-5 1.798205269937713e-5 1.820823907785738e-5 1.843727053073849e-5 1.866918284465094e-5 1.890401225636563e-5 1.914179545845589e-5 1.938256960503081e-5 1.962637231754067e-5 1.987324169065529e-5 2.012321629821651e-5 2.037633519926534e-5 2.063263794414502e-5 2.089216458068091e-5 2.115495566043795e-5 2.142105224505704e-5 2.169049591267089e-5 2.196332876440075e-5 2.223959343093479e-5 2.251933307918920e-5 2.280259141905319e-5 2.308941271021864e-5 2.337984176909584e-5 2.367392397581611e-5 2.397170528132256e-5 2.427323221455005e-5 2.457855188969534e-5 2.488771201357884e-5 2.520076089309891e-5 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