Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9415 Author: ADC Generation date: 11Sep2012 Pseudopotential type: USPP Element: Hg Functional: PBE Suggested minimum cutoff for wavefunctions: 30. Ry Suggested minimum cutoff for charge density: 121. Ry The Pseudo was generated with a Fully-Relativistic Calculation Local Potential by smoothing AE potential with Bessel fncs, cutoff radius: 1.9000 Pseudopotential contains additional information for spin-orbit calculations. Valence configuration: nl pn l occ Rcut Rcut US E pseu 6S 1 0 2.00 2.000 2.100 -0.501905 6P 2 1 0.00 2.100 2.300 -0.114188 6P 2 1 0.00 2.100 2.300 -0.066095 5D 3 2 4.00 1.800 2.200 -0.808094 5D 3 2 6.00 1.800 2.200 -0.673247 Generation configuration: 6S 1 0 2.00 2.000 2.100 -0.501903 6S 1 0 0.00 1.700 2.100 2.300000 6P 2 1 0.00 2.100 2.300 -0.114190 6P 2 1 0.00 2.100 2.300 -0.066095 6P 2 1 0.00 1.800 2.300 8.000000 6P 2 1 0.00 1.800 2.300 8.000000 5D 3 2 4.00 1.800 2.200 -0.808094 5D 3 2 6.00 1.800 2.200 -0.673246 5D 3 2 0.00 1.800 2.200 4.300000 5D 3 2 0.00 1.800 2.200 4.300000 Pseudization used: troullier-martins title='Hg', zed=80.0, rel=2, config='[Xe] 4f14. 5d10 6s2 6p0.0', iswitch=3, dft='PBE' / &inputp pseudotype=3, file_pseudopw='Hg.rel-pbe-dn-rrkjus_psl.0.2.2.UPF', author='ADC', lloc=-1, rcloc=1.9, which_augfun='PSQ', rmatch_augfun=1.9, 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 5D 3 2 10.00 0.00 1.80 2.20 0.0 5D 3 2 0.00 4.30 1.80 2.20 0.0 1.139852456943145E-005 1.154190035836278E-005 1.168707959270728E-005 1.183408495701567E-005 1.198293942117525E-005 1.213366624399886E-005 1.228628897685923E-005 1.244083146736889E-005 1.259731786310638E-005 1.275577261538943E-005 1.291622048309546E-005 1.307868653653023E-005 1.324319616134513E-005 1.340977506250371E-005 1.357844926829822E-005 1.374924513441648E-005 1.392218934806004E-005 1.409730893211415E-005 1.427463124937009E-005 1.445418400680072E-005 1.463599525988968E-005 1.482009341701516E-005 1.500650724388876E-005 1.519526586805018E-005 1.538639878341851E-005 1.557993585490062E-005 1.577590732305768E-005 1.597434380883031E-005 1.617527631832310E-005 1.637873624764950E-005 1.658475538783739E-005 1.679336592979659E-005 1.700460046934867E-005 1.721849201232021E-005 1.743507397969999E-005 1.765438021286102E-005 1.787644497884843E-005 1.810130297573370E-005 1.832898933803629E-005 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