Generated using "atomic" code by A. Dal Corso v.6.3 Author: ADC Generation date: 6Sep2018 Pseudopotential type: PAW Element: S Functional: SLA PW PBX PBC Suggested minimum cutoff for wavefunctions: 39. Ry Suggested minimum cutoff for charge density: 157. Ry The Pseudo was generated with a Fully-Relativistic Calculation L component and cutoff radius for Local Potential: 2 1.6000 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 3S 1 0 2.00 1.500 1.700 -1.267373 3P 2 1 2.00 1.500 1.700 -0.518488 3P 2 1 2.00 1.500 1.700 -0.512346 Generation configuration: 3S 1 0 2.00 1.500 1.700 -1.267368 3S 1 0 0.00 1.500 1.700 6.000000 3P 2 1 2.00 1.500 1.700 -0.518489 3P 2 1 2.00 1.500 1.700 -0.512340 3P 2 1 0.00 1.500 1.700 3.000000 3P 2 1 0.00 1.500 1.700 3.000000 3D 3 2 0.00 1.600 1.600 1.500000 3D 3 2 0.00 1.600 1.600 1.500000 Pseudization used: troullier-martins &input title='S', zed=16., rel=2, config='[Ne] 3s2 3p4 3d-1', iswitch=3, dft='PBE' / &inputp lpaw = .true., use_xsd=.FALSE., pseudotype=3, file_pseudopw='S.rel-pbe-nl-kjpaw_psl.1.0.0.UPF', author='ADC', lloc=2, which_augfun='PSQ', rmatch_augfun_nc=.true., nlcc=.true., new_core_ps=.true., rcore=1.5, tm=.true. / 5 3S 1 0 2.00 0.00 1.50 1.70 0.0 3S 1 0 0.00 6.00 1.50 1.70 0.0 3P 2 1 4.00 0.00 1.50 1.70 0.0 3P 2 1 0.00 3.00 1.50 1.70 0.0 3D 3 2 0.00 1.50 1.60 1.60 0.0 5.699262284715726e-5 5.770950179181389e-5 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