Generated using "atomic" code by A. Dal Corso v.6.4.1 Author: ADC Generation date: 13Aug2019 Pseudopotential type: PAW Element: Cs Functional: SLA PZ NOGX NOGC Suggested minimum cutoff for wavefunctions: 34. Ry Suggested minimum cutoff for charge density: 242. Ry The Pseudo was generated with a Fully-Relativistic Calculation Local Potential by smoothing AE potential with Bessel fncs, cutoff radius: 2.0000 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 2.100 -1.974257 6S 2 0 1.00 1.600 2.100 -0.163687 5P 2 1 2.00 1.600 2.300 -1.084869 5P 2 1 4.00 1.600 2.300 -0.962137 Generation configuration: 5S 1 0 2.00 1.600 2.100 -1.974254 6S 2 0 1.00 1.600 2.100 -0.163688 6S 2 0 0.00 1.600 2.100 1.000000 5P 2 1 2.00 1.600 2.300 -1.084866 5P 2 1 4.00 1.600 2.300 -0.962132 6P 3 1 0.00 1.600 2.300 6.000000 6P 3 1 0.00 1.600 2.300 6.000000 5D 3 2 0.00 1.500 2.100 0.300000 5D 3 2 0.00 1.500 2.100 0.300000 5D 3 2 0.00 1.500 2.100 4.050000 5D 3 2 0.00 1.500 2.100 4.050000 4F 4 3 0.00 1.500 2.100 0.050000 4F 4 3 0.00 1.500 2.100 0.050000 4F 4 3 0.00 1.500 2.100 4.050000 4F 4 3 0.00 1.500 2.100 4.050000 Pseudization used: troullier-martins &input title='Cs', zed=55., rel=2, config='[Xe] 6s1 6p0 5d-1 4f-1', iswitch=3, dft='LDA' / &inputp lpaw = .true., use_xsd=.FALSE., pseudotype=3, file_pseudopw='Cs.rel-pz-spn-kjpaw_psl.1.0.0.UPF', author='ADC', lloc=-1, rcloc=2.0, which_augfun='PSQ', rmatch_augfun_nc=.true., nlcc=.true., new_core_ps=.true., rcore=1.6, tm=.true. / 9 5S 1 0 2.00 0.00 1.60 2.10 0.0 6S 2 0 1.00 0.00 1.60 2.10 0.0 6S 2 0 0.00 1.00 1.60 2.10 0.0 5P 2 1 6.00 0.00 1.60 2.30 0.0 6P 3 1 0.00 6.00 1.60 2.30 0.0 5D 3 2 0.00 0.30 1.50 2.10 0.0 5D 3 2 0.00 4.05 1.50 2.10 0.0 4F 4 3 0.00 0.05 1.50 2.10 0.0 4F 4 3 0.00 4.05 1.50 2.10 0.0 1.657967210099120e-5 1.678821870307313e-5 1.699938849848331e-5 1.721321448293189e-5 1.742973006716400e-5 1.764896908218016e-5 1.787096578452252e-5 1.809575486162748e-5 1.832337143724565e-5 1.855385107693008e-5 1.878722979359340e-5 1.902354405313488e-5 1.926283078013837e-5 1.950512736364176e-5 1.975047166297923e-5 1.999890201369670e-5 2.025045723354188e-5 2.050517662852968e-5 2.076309999908378e-5 2.102426764625560e-5 2.128872037802136e-5 2.155649951565842e-5 2.182764690020183e-5 2.210220489898209e-5 2.238021641224511e-5 2.266172487985544e-5 2.294677428808390e-5 2.323540917648045e-5 2.352767464483360e-5 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