Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9415 Author: ADC Generation date: 11Sep2012 Pseudopotential type: USPP Element: S Functional: PBESOL Suggested minimum cutoff for wavefunctions: 18. Ry Suggested minimum cutoff for charge density: 77. 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. Valence configuration: nl pn l occ Rcut Rcut US E pseu 3S 1 0 2.00 2.000 2.100 -1.262786 3P 2 1 2.00 2.000 2.100 -0.516259 3P 2 1 2.00 2.000 2.100 -0.510086 Generation configuration: 3S 1 0 2.00 2.000 2.100 -1.262786 3S 1 0 0.00 2.000 2.100 6.000000 3P 2 1 2.00 2.000 2.100 -0.516259 3P 2 1 2.00 2.000 2.100 -0.510084 3P 2 1 0.00 2.000 2.100 6.000000 3P 2 1 0.00 2.000 2.100 6.000000 3D 3 2 -2.00 1.900 1.900 -0.300000 3D 3 2 0.00 1.900 1.900 -0.300000 Pseudization used: troullier-martins title='S', zed=16, rel=2, config='[Ne] 3s2 3p4 3d-2', iswitch=3, dft='PBESOL' / &inputp pseudotype=3, file_pseudopw='S.rel-pbesol-n-rrkjus_psl.0.1.UPF', author='ADC', lloc=2, which_augfun ='PSQ', rmatch_augfun= 1.9, nlcc=.true., new_core_ps=.true., rcore=1.2, tm=.true. / 5 3S 1 0 2.00 0.00 2.00 2.10 0.0 3S 1 0 0.00 6.00 2.00 2.10 0.0 3P 2 1 4.00 0.00 2.00 2.10 0.0 3P 2 1 0.00 6.00 2.00 2.10 0.0 3D 3 2 -2.00 -0.30 1.90 1.90 0.0 5.699262284715727E-005 5.770950179181389E-005 5.843539796353638E-005 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