Generated using "atomic" code by A. Dal Corso v.6.3 Author: ADC Generation date: 6Sep2018 Pseudopotential type: PAW Element: Se Functional: SLA PW PBX PBC Suggested minimum cutoff for wavefunctions: 22. Ry Suggested minimum cutoff for charge density: 117. Ry The Pseudo was generated with a Fully-Relativistic Calculation L component and cutoff radius for Local Potential: 2 1.9000 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 4S 1 0 2.00 1.500 1.900 -1.266050 4P 2 1 2.00 1.500 1.900 -0.493924 4P 2 1 2.00 1.500 1.900 -0.466446 Generation configuration: 4S 1 0 2.00 1.500 1.900 -1.266047 4S 1 0 0.00 1.500 1.900 0.300000 4P 2 1 2.00 1.500 1.900 -0.493925 4P 2 1 2.00 1.500 1.900 -0.466442 4P 2 1 0.00 1.500 1.900 0.300000 4P 2 1 0.00 1.500 1.900 0.300000 4D 3 2 -2.00 1.900 1.900 0.500000 4D 3 2 0.00 1.900 1.900 0.500000 Pseudization used: troullier-martins &input title='Se', zed=34., rel=2, config='[Ar] 4s2 4p4 3d10 4d-1', iswitch=3, dft='PBE' / &inputp lpaw = .true., use_xsd=.FALSE., pseudotype=3, file_pseudopw='Se.rel-pbe-n-kjpaw_psl.1.0.0.UPF', author='ADC', lloc=2, which_augfun='PSQ', rmatch_augfun_nc=.true., nlcc=.true., new_core_ps=.true., rcore=1.8, tm=.true. / 5 4S 1 0 2.00 0.00 1.50 1.90 0.0 4S 1 0 0.00 0.30 1.50 1.90 0.0 4P 2 1 4.00 0.00 1.50 1.90 0.0 4P 2 1 0.00 0.30 1.50 1.90 0.0 4D 3 2 -2.00 0.50 1.90 1.90 0.0 2.682005781042695e-5 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