Generated using "atomic" code by A. Dal Corso v.6.3 Author: ADC Generation date: 6Sep2018 Pseudopotential type: PAW Element: Hg Functional: SLA PW PBX PBC Suggested minimum cutoff for wavefunctions: 42. Ry Suggested minimum cutoff for charge density: 382. Ry The Pseudo was generated with a Scalar-Relativistic Calculation Local Potential by smoothing AE potential with Bessel fncs, cutoff radius: 2.4000 Pseudopotential contains additional information for GIPAW reconstruction. Valence configuration: nl pn l occ Rcut Rcut US E pseu 6S 1 0 2.00 1.900 2.100 -0.501002 6P 2 1 0.00 2.300 2.500 -0.076873 5D 3 2 10.00 1.000 2.200 -0.724705 Generation configuration: 6S 1 0 2.00 1.900 2.100 -0.501000 6S 1 0 0.00 1.900 2.100 4.400000 6P 2 1 0.00 2.300 2.500 -0.076873 6P 2 1 0.00 2.300 2.500 6.400000 5D 3 2 10.00 1.000 2.200 -0.724703 5D 3 2 0.00 1.000 2.200 0.800000 Pseudization used: troullier-martins &input title='Hg', zed=80., rel=1, config='[Xe] 4f14 6s2 6p0 5d10', iswitch=3, dft='PBE' / &inputp lpaw = .true., use_xsd=.FALSE., pseudotype=3, file_pseudopw='Hg.pbe-n-kjpaw_psl.1.0.0.UPF', author='ADC', lloc=-1, rcloc=2.4, which_augfun='PSQ', rmatch_augfun_nc=.true., nlcc=.true., new_core_ps=.true., rcore=1.6, tm=.true. / 6 6S 1 0 2.00 0.00 1.90 2.10 0.0 6S 1 0 0.00 4.40 1.90 2.10 0.0 6P 2 1 0.00 0.00 2.30 2.50 0.0 6P 2 1 0.00 6.40 2.30 2.50 0.0 5D 3 2 10.00 0.00 1.00 2.20 0.0 5D 3 2 0.00 0.80 1.00 2.20 0.0 1.139852456943145e-5 1.154190035836278e-5 1.168707959270728e-5 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