Generated using "atomic" code by A. Dal Corso v.6.3 Author: ADC Generation date: 6Sep2018 Pseudopotential type: PAW Element: Au Functional: SLA PW PBX PBC Suggested minimum cutoff for wavefunctions: 56. Ry Suggested minimum cutoff for charge density: 398. Ry The Pseudo was generated with a Scalar-Relativistic Calculation Local Potential by smoothing AE potential with Bessel fncs, cutoff radius: 1.4000 Pseudopotential contains additional information for GIPAW reconstruction. Valence configuration: nl pn l occ Rcut Rcut US E pseu 5S 1 0 2.00 0.900 1.500 -7.964873 6S 2 0 1.00 0.900 1.500 -0.423486 5P 2 1 6.00 0.900 1.300 -4.393855 5D 3 2 10.00 1.400 1.600 -0.505430 Generation configuration: 5S 1 0 2.00 0.900 1.500 -7.964921 6S 2 0 1.00 0.900 1.500 -0.423494 5P 2 1 6.00 0.900 1.300 -4.393877 6P 3 1 0.00 0.900 1.300 -2.500000 5D 3 2 10.00 1.400 1.600 -0.505443 5D 3 2 0.00 1.400 1.600 0.050000 Pseudization used: troullier-martins &input title='Au', zed=79., rel=1, config='[Xe] 4f14 6s1 6p0 5d10', iswitch=3, dft='PBE' / &inputp lpaw = .true., use_xsd=.FALSE., pseudotype=3, file_pseudopw='Au.pbe-spn-kjpaw_psl.1.0.0.UPF', author='ADC', lloc=-1, rcloc=1.4, which_augfun='PSQ', rmatch_augfun_nc=.true., nlcc=.true., new_core_ps=.true., rcore=1.2, tm=.true. / 6 5S 1 0 2.00 0.00 0.90 1.50 0.0 6S 2 0 1.00 0.00 0.90 1.50 0.0 5P 2 1 6.00 0.00 0.90 1.30 0.0 6P 3 1 0.00 -2.50 0.90 1.30 0.0 5D 3 2 10.00 0.00 1.40 1.60 0.0 5D 3 2 0.00 0.05 1.40 1.60 0.0 1.154280969056350e-5 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