Generated using "atomic" code by A. Dal Corso v.6.3 Author: ADC Generation date: 6Sep2018 Pseudopotential type: PAW Element: S Functional: SLA PW PSX PSC Suggested minimum cutoff for wavefunctions: 39. Ry Suggested minimum cutoff for charge density: 181. Ry The Pseudo was generated with a Scalar-Relativistic Calculation Local Potential by smoothing AE potential with Bessel fncs, cutoff radius: 1.8000 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 -1.263749 3P 2 1 4.00 1.500 1.700 -0.512896 Generation configuration: 3S 1 0 2.00 1.500 1.700 -1.263744 3S 1 0 0.00 1.500 1.700 6.000000 3P 2 1 4.00 1.500 1.700 -0.512892 3P 2 1 0.00 1.500 1.700 3.000000 3D 3 2 0.00 1.500 1.700 0.100000 3D 3 2 0.00 1.500 1.700 0.300000 Pseudization used: troullier-martins &input title='S', zed=16., rel=1, config='[Ne] 3s2 3p4 3d-1', iswitch=3, dft='PBESOL' / &inputp lpaw = .true., use_xsd=.FALSE., pseudotype=3, file_pseudopw='S.pbesol-n-kjpaw_psl.1.0.0.UPF', author='ADC', lloc=-1, rcloc=1.8, which_augfun='PSQ', rmatch_augfun_nc=.true., nlcc=.true., new_core_ps=.true., rcore=1.5, tm=.true. / 6 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 0.10 1.50 1.70 0.0 3D 3 2 0.00 0.30 1.50 1.70 0.0 5.699262284715726e-5 5.770950179181389e-5 5.843539796353639e-5 5.917042478507836e-5 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