Generated using "atomic" code by A. Dal Corso v.6.3 Author: ADC Generation date: 4Sep2018 Pseudopotential type: USPP Element: Au Functional: PBESOL Suggested minimum cutoff for wavefunctions: 41. Ry Suggested minimum cutoff for charge density: 529. Ry The Pseudo was generated with a Scalar-Relativistic Calculation Local Potential by smoothing AE potential with Bessel fncs, cutoff radius: 2.4000 Pseudopotential contains additional information for GIPAW reconstruction. Valence configuration: nl pn l occ Rcut Rcut US E pseu 6S 1 0 1.00 2.000 2.200 -0.426284 6P 2 1 0.00 2.300 2.500 -0.051599 5D 3 2 10.00 1.000 2.200 -0.507238 Generation configuration: 6S 1 0 1.00 2.000 2.200 -0.426282 6S 1 0 0.00 2.000 2.200 4.400000 6P 2 1 0.00 2.300 2.500 -0.051600 6P 2 1 0.00 2.300 2.500 6.400000 5D 3 2 10.00 1.000 2.200 -0.507238 5D 3 2 0.00 1.000 2.200 0.800000 Pseudization used: troullier-martins &input title='Au', zed=79., rel=1, config='[Xe] 4f14 6s1 6p0 5d10', iswitch=3, dft='PBESOL' / &inputp lpaw=.false., use_xsd=.FALSE., pseudotype=3, file_pseudopw='Au.pbesol-n-rrkjus_psl.1.0.0.UPF', author='ADC', lloc=-1, rcloc=2.4, which_augfun='PSQ', rmatch_augfun_nc=.true., nlcc=.true., new_core_ps=.true., rcore=1.6, tm=.true. / 6 6S 1 0 1.00 0.00 2.00 2.20 0.0 6S 1 0 0.00 4.40 2.00 2.20 0.0 6P 2 1 0.00 0.00 2.30 2.50 0.0 6P 2 1 0.00 6.40 2.30 2.50 0.0 5D 3 2 10.00 0.00 1.00 2.20 0.0 5D 3 2 0.00 0.80 1.00 2.20 0.0 1.154280969056350e-5 1.168800036289901e-5 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