Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9415 Author: ADC Generation date: 11Sep2012 Pseudopotential type: PAW Element: Hg Functional: SLA PZ NOGX NOGC Suggested minimum cutoff for wavefunctions: 29. Ry Suggested minimum cutoff for charge density: 116. Ry The Pseudo was generated with a Scalar-Relativistic Calculation Local Potential by smoothing AE potential with Bessel fncs, cutoff radius: 1.9000 Valence configuration: nl pn l occ Rcut Rcut US E pseu 6S 1 0 2.00 2.000 2.100 -0.524392 6P 2 1 0.00 2.100 2.300 -0.087358 5D 3 2 10.00 1.800 2.200 -0.740007 Generation configuration: 6S 1 0 2.00 2.000 2.100 -0.524389 6S 1 0 0.00 1.700 2.100 2.300000 6P 2 1 0.00 2.100 2.300 -0.087358 6P 2 1 0.00 1.800 2.300 8.000000 5D 3 2 10.00 1.800 2.200 -0.740004 5D 3 2 0.00 1.800 2.200 4.300000 Pseudization used: troullier-martins title='Hg', zed=80.0, rel=1, config='[Xe] 4f14. 5d10 6s2 6p0.0', iswitch=3, dft='LDA' / &inputp lpaw=.true., pseudotype=3, file_pseudopw='Hg.pz-dn-kjpaw_psl.0.2.2.UPF', author='ADC', lloc=-1, rcloc=1.9, which_augfun='BESSEL', rmatch_augfun=2.0, nlcc=.true., new_core_ps=.true., rcore=1.5, tm=.true. / 6 6S 1 0 2.00 0.00 2.00 2.10 0.0 6S 1 0 0.00 2.30 1.70 2.10 0.0 6P 2 1 0.00 0.00 2.10 2.30 0.0 6P 2 1 0.00 8.00 1.80 2.30 0.0 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