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: 181. Ry The Pseudo was generated with a Fully-Relativistic Calculation Local Potential by smoothing AE potential with Bessel fncs, cutoff radius: 1.8000 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 1.500 1.700 0.100000 3D 3 2 0.00 1.500 1.700 0.100000 3D 3 2 0.00 1.500 1.700 0.300000 3D 3 2 0.00 1.500 1.700 0.300000 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-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 5.991469710587625e-5 6.066833121999431e-5 6.143144488429616e-5 6.220415733684446e-5 6.298658931553191e-5 6.377886307694716e-5 6.458110241547732e-5 6.539343268265116e-5 6.621598080672564e-5 6.704887531251855e-5 6.789224634149111e-5 6.874622567208240e-5 6.961094674030020e-5 7.048654466057078e-5 7.137315624685047e-5 7.227092003400361e-5 7.317997629944840e-5 7.410046708507581e-5 7.503253621944380e-5 7.597632934025091e-5 7.693199391709255e-5 7.789967927450309e-5 7.887953661528840e-5 7.987171904415151e-5 8.087638159161550e-5 8.189368123824750e-5 8.292377693918697e-5 8.396682964898293e-5 8.502300234674337e-5 8.609246006160106e-5 8.717536989849993e-5 8.827190106430510e-5 8.938222489424216e-5 9.050651487866848e-5 9.164494669018143e-5 9.279769821106793e-5 9.396494956109827e-5 9.514688312567074e-5 9.634368358430940e-5 9.755553793952076e-5 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