Generated using "atomic" code by A. Dal Corso v.6.4.1 Author: ADC Generation date: 4May2019 Pseudopotential type: PAW Element: Ca Functional: SLA PW PSX PSC Suggested minimum cutoff for wavefunctions: 45. Ry Suggested minimum cutoff for charge density: 274. Ry The Pseudo was generated with a Scalar-Relativistic Calculation Local Potential by smoothing AE potential with Bessel fncs, cutoff radius: 1.5000 Pseudopotential contains additional information for GIPAW reconstruction. Valence configuration: nl pn l occ Rcut Rcut US E pseu 3S 1 0 2.00 1.200 1.300 -3.451328 4S 2 0 2.00 1.200 1.300 -0.276688 3P 2 1 6.00 1.400 1.600 -2.054231 4P 3 1 0.00 1.400 1.600 -0.101887 Generation configuration: 3S 1 0 2.00 1.200 1.300 -3.451350 4S 2 0 2.00 1.200 1.300 -0.276694 3P 2 1 6.00 1.400 1.600 -2.054252 4P 3 1 0.00 1.400 1.600 -0.101889 3D 3 2 0.00 1.200 1.700 0.050000 3D 3 2 0.00 1.200 1.700 1.000000 Pseudization used: troullier-martins &input title='Ca', zed=20., rel=1, config='[Ar] 4s2 4p0 3d-1', iswitch=3, dft='PBESOL' / &inputp lpaw = .true., use_xsd=.FALSE., pseudotype=3, file_pseudopw='Ca.pbesol-spn-kjpaw_psl.1.0.0.UPF', author='ADC', lloc=-1, rcloc=1.5, which_augfun='PSQ', rmatch_augfun_nc=.true., nlcc=.true., new_core_ps=.true., rcore=1.0, tm=.true. / 6 3S 1 0 2.00 0.00 1.20 1.30 0.0 4S 2 0 2.00 0.00 1.20 1.30 0.0 3P 2 1 6.00 0.00 1.40 1.60 0.0 4P 3 1 0.00 0.00 1.40 1.60 0.0 3D 3 2 0.00 0.05 1.20 1.70 0.0 3D 3 2 0.00 1.00 1.20 1.70 0.0 4.559409827772581e-5 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