Generated using "atomic" code by A. Dal Corso v.6.2.2 Author: ADC Generation date: 4May2018 Pseudopotential type: USPP Element: Rn Functional: PBE Suggested minimum cutoff for wavefunctions: 50. Ry Suggested minimum cutoff for charge density: 220. 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 1.400 1.700 -1.595732 6P 2 1 2.00 1.400 2.000 -0.760026 6P 2 1 4.00 1.400 2.000 -0.498917 5D 3 2 4.00 1.400 1.550 -3.569940 5D 3 2 6.00 1.400 1.550 -3.245383 Generation configuration: 6S 1 0 2.00 1.400 1.700 -1.595724 6S 1 0 0.00 1.400 1.700 4.000000 6P 2 1 2.00 1.400 2.000 -0.760027 6P 2 1 4.00 1.400 2.000 -0.498913 6P 2 1 0.00 1.400 2.000 7.000000 6P 2 1 0.00 1.400 2.000 7.000000 5D 3 2 4.00 1.400 1.550 -3.569941 5D 3 2 6.00 1.400 1.550 -3.245382 5D 3 2 0.00 1.400 1.550 5.500000 5D 3 2 0.00 1.400 1.550 5.500000 Pseudization used: troullier-martins &input title='Rn', zed=86., rel=2, config='[Xe] 4f14 6s2 6p6 5d10', iswitch=3, dft='PBE' / &inputp lpaw=.false., use_xsd=.FALSE., pseudotype=3, file_pseudopw='Rn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF', author='ADC', lloc=-1, rcloc=1.9, which_augfun='PSQ', rmatch_augfun_nc=.true., nlcc=.true., new_core_ps=.true., rcore=1.5, tm=.true. / 6 6S 1 0 2.00 0.00 1.40 1.70 0.0 6S 1 0 0.00 4.00 1.40 1.70 0.0 6P 2 1 6.00 0.00 1.40 2.00 0.0 6P 2 1 0.00 7.00 1.40 2.00 0.0 5D 3 2 10.00 0.00 1.40 1.55 0.0 5D 3 2 0.00 5.50 1.40 1.55 0.0 1.060327866923856e-5 1.073665149615142e-5 1.087170194670445e-5 1.100845112280528e-5 1.114692039179093e-5 1.128713138976638e-5 1.142910602498533e-5 1.157286648127339e-5 1.171843522149431e-5 1.186583499105994e-5 1.201508882148415e-5 1.216622003398161e-5 1.231925224311175e-5 1.247420936046857e-5 1.263111559841695e-5 1.278999547387579e-5 1.295087381214888e-5 1.311377575080386e-5 1.327872674360009e-5 1.344575256446579e-5 1.361487931152528e-5 1.378613341117689e-5 1.395954162222210e-5 1.413513104004668e-5 1.431292910085443e-5 1.449296358595406e-5 1.467526262610017e-5 1.485985470588866e-5 1.504676866820754e-5 1.523603371874372e-5 1.542767943054641e-5 1.562173574864798e-5 1.581823299474295e-5 1.601720187192578e-5 1.621867346948836e-5 1.642267926777769e-5 1.662925114311482e-5 1.683842137277553e-5 1.705022264003376e-5 1.726468803926846e-5 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