Generated using "atomic" code by A. Dal Corso v.6.3MaX Author: ADC Generation date: 4Sep2018 Pseudopotential type: USPP Element: Be Functional: PBE Suggested minimum cutoff for wavefunctions: 81. Ry Suggested minimum cutoff for charge density: 871. Ry The Pseudo was generated with a Fully-Relativistic Calculation Local Potential by smoothing AE potential with Bessel fncs, cutoff radius: 0.7000 Pseudopotential contains additional information for spin-orbit calculations. Valence configuration: nl pn l occ Rcut Rcut US E pseu 1S 1 0 2.00 0.450 1.200 -7.806459 2S 2 0 2.00 0.450 1.200 -0.412305 2P 2 1 0.00 0.900 1.000 -0.148384 2P 2 1 0.00 0.900 1.000 -0.148333 Generation configuration: 1S 1 0 2.00 0.450 1.200 -7.806456 2S 2 0 2.00 0.450 1.200 -0.412306 2P 2 1 0.00 0.900 1.000 -0.148395 2P 2 1 0.00 0.900 1.000 -0.148334 2P 2 1 0.00 0.900 1.000 1.500000 2P 2 1 0.00 0.900 1.000 1.500000 Pseudization used: troullier-martins &input title='Be', zed=4., rel=2, config='[He] 2s2 2p0', iswitch=3, dft='PBE' / &inputp lpaw=.false., use_xsd=.FALSE., pseudotype=3, file_pseudopw='Be.rel-pbe-s-rrkjus_psl.1.0.0.UPF', author='ADC', lloc=-1, rcloc=0.7 which_augfun='PSQ', rmatch_augfun_nc=.true., tm=.true. / 4 1S 1 0 2.00 0.00 0.45 1.20 0.0 2S 2 0 2.00 0.00 0.45 1.20 0.0 2P 2 1 0.00 0.00 0.90 1.00 0.0 2P 2 1 0.00 1.50 0.90 1.00 0.0 2.279704913886290e-4 2.308380071672556e-4 2.337415918541455e-4 2.366816991403135e-4 2.396587884235050e-4 2.426733248799772e-4 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