Generated using "atomic" code by A. Dal Corso v.6.2.2 Author: ADC Generation date: 4May2018 Pseudopotential type: PAW Element: Tl Functional: SLA PW PBX PBC Suggested minimum cutoff for wavefunctions: 45. Ry Suggested minimum cutoff for charge density: 210. Ry The Pseudo was generated with a Scalar-Relativistic Calculation Local Potential by smoothing AE potential with Bessel fncs, cutoff radius: 2.1000 Pseudopotential contains additional information for GIPAW reconstruction. Valence configuration: nl pn l occ Rcut Rcut US E pseu 6S 1 0 2.00 1.700 2.000 -0.701607 6P 2 1 1.00 2.200 2.400 -0.174212 5D 3 2 10.00 1.400 1.600 -1.138180 Generation configuration: 6S 1 0 2.00 1.700 2.000 -0.701603 6S 1 0 0.00 1.700 2.000 4.000000 6P 2 1 1.00 2.200 2.400 -0.174212 6P 2 1 0.00 2.200 2.400 6.000000 5D 3 2 10.00 1.400 1.600 -1.138176 5D 3 2 0.00 1.400 1.600 7.600000 Pseudization used: troullier-martins &input title='Tl', zed=81., rel=1, config='[Xe] 4f14 6s2 6p1 5d10', iswitch=3, dft='PBE' / &inputp lpaw=.true., use_xsd=.FALSE., pseudotype=3, file_pseudopw='Tl.pbe-dn-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=1.6, tm=.true. / 6 6S 1 0 2.00 0.00 1.70 2.00 0.0 6S 1 0 0.00 4.00 1.70 2.00 0.0 6P 2 1 1.00 0.00 2.20 2.40 0.0 6P 2 1 0.00 6.00 2.20 2.40 0.0 5D 3 2 10.00 0.00 1.40 1.60 0.0 5D 3 2 0.00 7.60 1.40 1.60 0.0 1.125780204388292e-5 1.139940776134596e-5 1.154279465946398e-5 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