Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9415 Author: ADC Generation date: 11Sep2012 Pseudopotential type: PAW Element: Au Functional: SLA PW PSX PSC Suggested minimum cutoff for wavefunctions: 26. Ry Suggested minimum cutoff for charge density: 650. Ry The Pseudo was generated with a Scalar-Relativistic Calculation Local Potential according to Troullier-Martins recipe, cutoff radius: 2.4000 Valence configuration: nl pn l occ Rcut Rcut US E pseu 6S 1 0 1.00 1.900 2.300 -0.426284 6P 2 1 0.00 2.000 2.400 -0.051599 5D 3 2 10.00 1.800 2.200 -0.507240 Generation configuration: 6S 1 0 1.00 1.900 2.300 -0.426282 6S 1 0 0.00 1.700 2.300 2.300000 6P 2 1 0.00 2.000 2.400 -0.051600 6P 2 1 0.00 1.800 2.400 3.600000 5D 3 2 10.00 1.800 2.200 -0.507238 5D 3 2 0.00 1.100 2.200 -0.300000 Pseudization used: troullier-martins title='Au', zed=79., rel=1, config='[Xe] 4f14 5d10.0 6s1.0 6p0.0', iswitch=3, dft='PBESOL' / &inputp lpaw=.true., pseudotype=3, file_pseudopw='Au.pbesol-dn-kjpaw_psl.0.1.UPF', author='ADC', lloc=-2, rcloc=2.4, which_augfun='PSQ', rmatch_augfun=0.95, nlcc=.true., new_core_ps=.true., rcore=1.6, tm=.true. / 6 6S 1 0 1.00 0.00 1.90 2.30 0.0 6S 1 0 0.00 2.30 1.70 2.30 0.0 6P 2 1 0.00 0.00 2.00 2.40 0.0 6P 2 1 0.00 3.60 1.80 2.40 0.0 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