Generated using "atomic" code by A. Dal Corso v.6.3MaX Author: Lorenzo Paulatto, modified by ADC Generation date: 4Sep2018 Pseudopotential type: USPP Element: O Functional: PBE Suggested minimum cutoff for wavefunctions: 47. Ry Suggested minimum cutoff for charge density: 323. Ry The Pseudo was generated with a Scalar-Relativistic Calculation L component and cutoff radius for Local Potential: 2 1.3000 Pseudopotential contains additional information for GIPAW reconstruction. Valence configuration: nl pn l occ Rcut Rcut US E pseu 2S 1 0 2.00 1.000 1.350 -1.761147 2P 2 1 4.00 1.000 1.350 -0.663752 Generation configuration: 2S 1 0 2.00 1.000 1.350 -1.761144 2S 1 0 0.00 1.000 1.350 0.050000 2P 2 1 4.00 1.000 1.350 -0.663748 2P 2 1 0.00 1.000 1.350 0.050000 3D 3 2 -2.00 1.300 1.300 0.150000 Pseudization used: troullier-martins &input title='O', zed=8, rel=1, config='[He] 2s2 2p4 3d-2', iswitch=3, dft='PBE' / &inputp use_xsd=.FALSE., pseudotype=3, file_pseudopw='O.pbe-n-rrkjus_psl.0.1.UPF', author='Lorenzo Paulatto, modified by ADC', lloc=2, which_augfun='PSQ', rmatch_augfun=0.90, nlcc=.true., new_core_ps=.true., rcore=0.5, tm=.true. / 5 2S 1 0 2.00 0.00 1.00 1.35 0.0 2S 1 0 0.00 0.05 1.00 1.35 0.0 2P 2 1 4.00 0.00 1.00 1.35 0.0 2P 2 1 0.00 0.05 1.00 1.35 0.0 3D 3 2 -2.00 0.15 1.30 1.30 0.0 1.139852456943145e-4 1.154190035836278e-4 1.168707959270728e-4 1.183408495701567e-4 1.198293942117525e-4 1.213366624399886e-4 1.228628897685923e-4 1.244083146736889e-4 1.259731786310638e-4 1.275577261538943e-4 1.291622048309546e-4 1.307868653653023e-4 1.324319616134513e-4 1.340977506250371e-4 1.357844926829822e-4 1.374924513441648e-4 1.392218934806004e-4 1.409730893211416e-4 1.427463124937009e-4 1.445418400680072e-4 1.463599525988968e-4 1.482009341701516e-4 1.500650724388876e-4 1.519526586805018e-4 1.538639878341851e-4 1.557993585490062e-4 1.577590732305768e-4 1.597434380883030e-4 1.617527631832310e-4 1.637873624764950e-4 1.658475538783739e-4 1.679336592979658e-4 1.700460046934867e-4 1.721849201232021e-4 1.743507397969999e-4 1.765438021286102e-4 1.787644497884843e-4 1.810130297573370e-4 1.832898933803629e-4 1.855953964221359e-4 1.879298991221965e-4 1.902937662513415e-4 1.926873671686188e-4 1.951110758790415e-4 1.975652710920271e-4 2.000503362805706e-4 2.025666597411633e-4 2.051146346544658e-4 2.076946591467417e-4 2.103071363520677e-4 2.129524744753217e-4 2.156310868559678e-4 2.183433920326400e-4 2.210898138085401e-4 2.238707813176587e-4 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