Generated using "atomic" code by A. Dal Corso v.6.2.2 Author: ADC Generation date: 2May2018 Pseudopotential type: PAW Element: Sc Functional: SLA PW PBX PBC Suggested minimum cutoff for wavefunctions: 50. Ry Suggested minimum cutoff for charge density: 402. Ry The Pseudo was generated with a Scalar-Relativistic Calculation Local Potential by smoothing AE potential with Bessel fncs, cutoff radius: 1.2000 Pseudopotential contains additional information for GIPAW reconstruction. Valence configuration: nl pn l occ Rcut Rcut US E pseu 3S 1 0 2.00 0.900 1.300 -4.045270 4S 2 0 2.00 0.900 1.300 -0.307433 3P 2 1 6.00 0.900 1.450 -2.471342 3D 3 2 1.00 1.000 1.500 -0.237633 Generation configuration: 3S 1 0 2.00 0.900 1.300 -4.045287 4S 2 0 2.00 0.900 1.300 -0.307439 3P 2 1 6.00 0.900 1.450 -2.471358 4P 3 1 0.00 0.900 1.450 7.000000 3D 3 2 1.00 1.000 1.500 -0.237647 3D 3 2 0.00 1.000 1.500 6.000000 Pseudization used: troullier-martins &input title='Sc', zed=21., rel=1, config='[Ar] 4s2 4p0 3d1', iswitch=3, dft='PBE' / &inputp lpaw=.true., use_xsd=.FALSE., pseudotype=3, file_pseudopw='Sc.pbe-spn-kjpaw_psl.1.0.0.UPF', author='ADC', lloc=-1, rcloc=1.2, which_augfun='PSQ', rmatch_augfun_nc=.true., nlcc=.true., new_core_ps=.true., rcore=0.8, tm=.true. / 6 3S 1 0 2.00 0.00 0.90 1.30 0.0 4S 2 0 2.00 0.00 0.90 1.30 0.0 3P 2 1 6.00 0.00 0.90 1.45 0.0 4P 3 1 0.00 7.00 0.90 1.45 0.0 3D 3 2 1.00 0.00 1.00 1.50 0.0 3D 3 2 0.00 6.00 1.00 1.50 0.0 4.342295074069125e-5 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