Generated using "atomic" code by A. Dal Corso v.6.3 Author: ADC Generation date: 6Sep2018 Pseudopotential type: PAW Element: Mg Functional: SLA PW PSX PSC Suggested minimum cutoff for wavefunctions: 58. Ry Suggested minimum cutoff for charge density: 385. Ry The Pseudo was generated with a Fully-Relativistic Calculation L component and cutoff radius for Local Potential: 2 1.2000 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 2S 1 0 2.00 0.700 1.400 -5.849624 3S 2 0 2.00 0.700 1.400 -0.343909 2P 2 1 2.00 0.900 1.300 -3.435141 2P 2 1 4.00 0.900 1.300 -3.413993 Generation configuration: 2S 1 0 2.00 0.700 1.400 -5.849624 3S 2 0 2.00 0.700 1.400 -0.343909 2P 2 1 2.00 0.900 1.300 -3.435140 2P 2 1 4.00 0.900 1.300 -3.413990 2P 2 1 0.00 0.900 1.300 -3.050000 2P 2 1 0.00 0.900 1.300 -3.050000 3D 3 2 0.00 1.200 1.200 1.000000 3D 3 2 0.00 1.200 1.200 1.000000 Pseudization used: troullier-martins &input title='Mg', zed=12., rel=2, config='[Ne] 3s2.0 3p0 3d-1', iswitch=3, dft='PBESOL' / &inputp lpaw = .true., use_xsd=.FALSE., pseudotype=3, file_pseudopw='Mg.rel-pbesol-spnl-kjpaw_psl.1.0.0.UPF', author='ADC', lloc=2, which_augfun='PSQ', rmatch_augfun_nc=.true., nlcc=.true., new_core_ps=.true., rcore=0.5, tm=.true. / 5 2S 1 0 2.00 0.00 0.70 1.40 0.0 3S 2 0 2.00 0.00 0.70 1.40 0.0 2P 2 1 6.00 0.00 0.90 1.30 0.0 2P 2 1 0.00 -3.05 0.90 1.30 0.0 3D 3 2 0.00 1.00 1.20 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