Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9415 Author: ADC Generation date: 11Sep2012 Pseudopotential type: PAW Element: Cd Functional: SLA PZ NOGX NOGC Suggested minimum cutoff for wavefunctions: 31. Ry Suggested minimum cutoff for charge density: 156. 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 5S 1 0 2.00 2.000 2.100 -0.523016 5P 2 1 0.50 2.100 2.300 -0.161806 5P 2 1 0.00 2.100 2.300 -0.143924 4D 3 2 4.00 1.800 2.200 -1.103292 4D 3 2 5.50 1.800 2.200 -1.049899 Generation configuration: 5S 1 0 2.00 2.000 2.100 -0.523014 5S 1 0 0.00 1.700 2.100 2.300000 5P 2 1 0.50 2.100 2.300 -0.161808 5P 2 1 0.00 2.100 2.300 -0.143923 5P 2 1 0.00 1.800 2.300 8.000000 5P 2 1 0.00 1.800 2.300 8.000000 4D 3 2 4.00 1.800 2.200 -1.103290 4D 3 2 5.50 1.800 2.200 -1.049897 4D 3 2 0.00 1.800 2.200 4.300000 4D 3 2 0.00 1.800 2.200 4.300000 Pseudization used: troullier-martins title='Cd', zed=48., rel=2, config='[Kr] 4d9.5 5s2.0 5p0.5', iswitch=3, dft='LDA' / &inputp lpaw=.true., pseudotype=3, file_pseudopw='Cd.rel-pz-dn-kjpaw_psl.0.2.UPF', author='ADC', lloc=-1, rcloc=1.9, which_augfun='PSQ', rmatch_augfun=1.6, nlcc=.true., new_core_ps=.true., rcore=1.3, tm=.true. / 6 5S 1 0 2.00 0.00 2.00 2.10 0.0 5S 1 0 0.00 2.30 1.70 2.10 0.0 5P 2 1 0.50 0.00 2.10 2.30 0.0 5P 2 1 0.00 8.00 1.80 2.30 0.0 4D 3 2 9.50 0.00 1.80 2.20 0.0 4D 3 2 0.00 4.30 1.80 2.20 0.0 1.899754094905242E-005 1.923650059727130E-005 1.947846598784546E-005 1.972347492835946E-005 1.997156570195875E-005 2.022277707333144E-005 2.047714829476539E-005 2.073471911228149E-005 2.099552977184397E-005 2.125962102564906E-005 2.152703413849244E-005 2.179781089421705E-005 2.207199360224188E-005 2.234962510417285E-005 2.263074878049704E-005 2.291540855736080E-005 2.320364891343340E-005 2.349551488685692E-005 2.379105208228349E-005 2.409030667800120E-005 2.439332543314947E-005 2.470015569502527E-005 2.501084540648127E-005 2.532544311341697E-005 2.564399797236419E-005 2.596655975816770E-005 2.629317887176280E-005 2.662390634805051E-005 2.695879386387183E-005 2.729789374608250E-005 2.764125897972899E-005 2.798894321632764E-005 2.834100078224779E-005 2.869748668720036E-005 2.905845663283331E-005 2.942396702143503E-005 2.979407496474738E-005 3.016883829288949E-005 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