Generated using "atomic" code by A. Dal Corso v.6.3 Author: ADC Generation date: 6Sep2018 Pseudopotential type: PAW Element: Cd Functional: SLA PW PBX PBC Suggested minimum cutoff for wavefunctions: 37. Ry Suggested minimum cutoff for charge density: 638. Ry The Pseudo was generated with a Fully-Relativistic Calculation Local Potential by smoothing AE potential with Bessel fncs, cutoff radius: 2.4000 Pseudopotential contains additional information for spin-orbit calculations. Pseudopotential contains additional information for GIPAW reconstruction. Valence configuration: nl pn l occ Rcut Rcut US E pseu 5S 1 0 2.00 1.600 2.300 -0.502732 5P 2 1 0.50 1.600 2.300 -0.148296 5P 2 1 0.00 1.600 2.300 -0.131827 4D 3 2 4.00 0.750 1.800 -1.094744 4D 3 2 5.50 0.750 1.800 -1.041784 Generation configuration: 5S 1 0 2.00 1.600 2.300 -0.502731 5S 1 0 0.00 1.600 2.300 6.000000 5P 2 1 0.50 1.600 2.300 -0.148297 5P 2 1 0.00 1.600 2.300 -0.131826 5P 2 1 0.00 1.600 2.300 8.000000 5P 2 1 0.00 1.600 2.300 8.000000 4D 3 2 4.00 0.750 1.800 -1.094743 4D 3 2 5.50 0.750 1.800 -1.041783 4D 3 2 0.00 0.750 1.800 4.300000 4D 3 2 0.00 0.750 1.800 4.300000 Pseudization used: troullier-martins &input title='Cd', zed=48., rel=2, config='[Kr] 5s2 5p0.5 4d9.5', iswitch=3, dft='PBE' / &inputp lpaw = .true., use_xsd=.FALSE., pseudotype=3, file_pseudopw='Cd.rel-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=1.8, tm=.true. / 6 5S 1 0 2.00 0.00 1.60 2.30 0.0 5S 1 0 0.00 6.00 1.60 2.30 0.0 5P 2 1 0.50 0.00 1.60 2.30 0.0 5P 2 1 0.00 8.00 1.60 2.30 0.0 4D 3 2 9.50 0.00 0.75 1.80 0.0 4D 3 2 0.00 4.30 0.75 1.80 0.0 1.899754094905242e-5 1.923650059727130e-5 1.947846598784546e-5 1.972347492835946e-5 1.997156570195875e-5 2.022277707333144e-5 2.047714829476539e-5 2.073471911228149e-5 2.099552977184397e-5 2.125962102564905e-5 2.152703413849244e-5 2.179781089421705e-5 2.207199360224188e-5 2.234962510417285e-5 2.263074878049704e-5 2.291540855736080e-5 2.320364891343340e-5 2.349551488685692e-5 2.379105208228349e-5 2.409030667800120e-5 2.439332543314947e-5 2.470015569502527e-5 2.501084540648127e-5 2.532544311341697e-5 2.564399797236419e-5 2.596655975816770e-5 2.629317887176280e-5 2.662390634805051e-5 2.695879386387183e-5 2.729789374608250e-5 2.764125897972900e-5 2.798894321632765e-5 2.834100078224779e-5 2.869748668720036e-5 2.905845663283331e-5 2.942396702143503e-5 2.979407496474739e-5 3.016883829288949e-5 3.054831556339381e-5 3.093256607035597e-5 3.132164985369942e-5 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