Generated using "atomic" code by A. Dal Corso v.6.2.2 Author: ADC Generation date: 7May2018 Pseudopotential type: PAW Element: U Functional: SLA PZ NOGX NOGC Suggested minimum cutoff for wavefunctions: 93. Ry Suggested minimum cutoff for charge density: 707. Ry The Pseudo was generated with a Fully-Relativistic Calculation Local Potential by smoothing AE potential with Bessel fncs, cutoff radius: 2.1000 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 6S 1 0 2.00 1.200 1.400 -3.590326 7S 2 0 2.00 1.200 1.400 -0.331613 6P 2 1 2.00 1.300 2.200 -2.277575 6P 2 1 4.00 1.300 2.200 -1.605974 6D 3 2 1.50 2.000 2.200 -0.224868 6D 3 2 0.00 2.000 2.200 -0.185406 5F 4 3 2.50 1.000 1.300 -0.364016 5F 4 3 0.00 1.000 1.300 -0.300338 Generation configuration: 6S 1 0 2.00 1.200 1.400 -3.590322 7S 2 0 2.00 1.200 1.400 -0.331614 6P 2 1 2.00 1.300 2.200 -2.277571 6P 2 1 4.00 1.300 2.200 -1.605967 7P 3 1 0.00 1.300 2.200 5.000000 7P 3 1 0.00 1.300 2.200 5.000000 6D 3 2 1.50 2.000 2.200 -0.224871 6D 3 2 0.00 2.000 2.200 -0.185402 6D 3 2 0.00 2.000 2.200 4.800000 6D 3 2 0.00 2.000 2.200 4.800000 5F 4 3 2.50 1.000 1.300 -0.364014 5F 4 3 0.00 1.000 1.300 -0.300331 5F 4 3 0.00 1.000 1.300 -0.500000 5F 4 3 0.00 1.000 1.300 -0.500000 Pseudization used: troullier-martins &input title='U', zed=92.0, rel=2, config='[Rn] 6d1.5 7s2.0 7p0. 5f2.5', iswitch=3, dft='LDA' / &inputp lpaw=.true., use_xsd=.FALSE., pseudotype=3, file_pseudopw='U.rel-pz-spfn-kjpaw_psl.1.0.0.UPF', author='ADC', lloc=-1, rcloc=2.1, which_augfun='PSQ', rmatch_augfun_nc=.true., nlcc=.true., new_core_ps=.true., rcore=1.5, tm=.true. / 8 6S 1 0 2.00 0.00 1.20 1.40 0.0 7S 2 0 2.00 0.00 1.20 1.40 0.0 6P 2 1 6.00 0.00 1.30 2.20 0.0 7P 3 1 0.00 5.00 1.30 2.20 0.0 6D 3 2 1.50 0.00 2.00 2.20 0.0 6D 3 2 0.00 4.80 2.00 2.20 0.0 5F 4 3 2.50 0.00 1.00 1.30 0.0 5F 4 3 0.00 -0.50 1.00 1.30 0.0 9.911760495157784e-6 1.003643509422850e-5 1.016267790670198e-5 1.029050865827450e-5 1.041994732276109e-5 1.055101412521640e-5 1.068372954509499e-5 1.081811431945121e-5 1.095418944617946e-5 1.109197618729516e-5 1.123149607225692e-5 1.137277090133064e-5 1.151582274899576e-5 1.166067396739453e-5 1.180734718982454e-5 1.195586533427520e-5 1.210625160700873e-5 1.225852950618622e-5 1.241272282553921e-5 1.256885565808759e-5 1.272695239990407e-5 1.288703775392623e-5 1.304913673381631e-5 1.321327466786973e-5 1.337947720297262e-5 1.354777030860923e-5 1.371818028091972e-5 1.389073374680896e-5 1.406545766810705e-5 1.424237934578217e-5 1.442152642420643e-5 1.460292689547529e-5 1.478660910378146e-5 1.497260174984367e-5 1.516093389539129e-5 1.535163496770524e-5 1.554473476421603e-5 1.574026345715974e-5 1.593825159829243e-5 1.613873012366398e-5 1.634173035845188e-5 1.654728402185578e-5 1.675542323205381e-5 1.696618051122100e-5 1.717958879061106e-5 1.739568141570179e-5 1.761449215140551e-5 1.783605518734485e-5 1.806040514319493e-5 1.828757707409284e-5 1.851760647611493e-5 1.875052929182329e-5 1.898638191588173e-5 1.922520120074261e-5 1.946702446240511e-5 1.971188948624581e-5 1.995983453292290e-5 2.021089834435436e-5 2.046512014977150e-5 2.072253967184866e-5 2.098319713290989e-5 2.124713326121377e-5 2.151438929731735e-5 2.178500700051998e-5 2.205902865538842e-5 2.233649707836368e-5 2.261745562445141e-5 2.290194819399602e-5 2.319001923954031e-5 2.348171377277124e-5 2.377707737155310e-5 2.407615618704910e-5 2.437899695093264e-5 2.468564698268921e-5 2.499615419701017e-5 2.531056711127949e-5 2.562893485315471e-5 2.595130716824319e-5 2.627773442787503e-5 2.660826763697373e-5 2.694295844202563e-5 2.728185913914998e-5 2.762502268227021e-5 2.797250269138805e-5 2.832435346096194e-5 2.868062996839045e-5 2.904138788260272e-5 2.940668357275682e-5 2.977657411704748e-5 3.015111731162488e-5 3.053037167962514e-5 3.091439648031486e-5 3.130325171835047e-5 3.169699815315399e-5 3.209569730840703e-5 3.249941148166370e-5 3.290820375408495e-5 3.332213800029503e-5 3.374127889836206e-5 3.416569193990414e-5 3.459544344032247e-5 3.503060054916332e-5 3.547123126061030e-5 3.591740442410851e-5 3.636918975512252e-5 3.682665784602948e-5 3.728988017714929e-5 3.775892912791362e-5 3.823387798817532e-5 3.871480096966011e-5 3.920177321756229e-5 3.969487082228635e-5 4.019417083133622e-5 4.069975126135413e-5 4.121169111031095e-5 4.173007036984960e-5 4.225497003778402e-5 4.278647213075526e-5 4.332465969704663e-5 4.386961682956041e-5 4.442142867895724e-5 4.498018146696126e-5 4.554596249983240e-5 4.611886018200805e-5 4.669896402991674e-5 4.728636468596487e-5 4.788115393270006e-5 4.848342470715219e-5 4.909327111535506e-5 4.971078844705080e-5 5.033607319057877e-5 5.096922304795228e-5 5.161033695012476e-5 5.225951507244766e-5 5.291685885032351e-5 5.358247099505490e-5 5.425645550989366e-5 5.493891770629146e-5 5.562996422035491e-5 5.632970302950788e-5 5.703824346936287e-5 5.775569625080516e-5 5.848217347729154e-5 5.921778866236657e-5 5.996265674739969e-5 6.071689411954456e-5 6.148061862992510e-5 6.225394961204985e-5 6.303700790045806e-5 6.382991584960056e-5 6.463279735295756e-5 6.544577786239737e-5 6.626898440777867e-5 6.710254561679894e-5 6.794659173509304e-5 6.880125464658421e-5 6.966666789409112e-5 7.054296670019444e-5 7.143028798836535e-5 7.232877040436058e-5 7.323855433788551e-5 7.415978194453072e-5 7.509259716798404e-5 7.603714576252186e-5 7.699357531578398e-5 7.796203527183367e-5 7.894267695450969e-5 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