Generated using "atomic" code by A. Dal Corso v.6.3 Author: ADC Generation date: 4Sep2018 Pseudopotential type: USPP Element: Au Functional: PBE Suggested minimum cutoff for wavefunctions: 42. Ry Suggested minimum cutoff for charge density: 423. Ry The Pseudo was generated with a Fully-Relativistic Calculation Local Potential by smoothing AE potential with Bessel fncs, cutoff radius: 2.4000 Pseudopotential contains additional information for spin-orbit calculations. Valence configuration: nl pn l occ Rcut Rcut US E pseu 6S 1 0 1.00 2.000 2.200 -0.424830 6P 2 1 0.00 2.300 2.500 -0.084905 6P 2 1 0.00 2.300 2.500 -0.048784 5D 3 2 4.00 1.000 2.200 -0.575977 5D 3 2 6.00 1.000 2.200 -0.463860 Generation configuration: 6S 1 0 1.00 2.000 2.200 -0.424829 6S 1 0 0.00 2.000 2.200 4.400000 6P 2 1 0.00 2.300 2.500 -0.084906 6P 2 1 0.00 2.300 2.500 -0.048783 6P 2 1 0.00 2.300 2.500 6.400000 6P 2 1 0.00 2.300 2.500 6.400000 5D 3 2 4.00 1.000 2.200 -0.575977 5D 3 2 6.00 1.000 2.200 -0.463858 5D 3 2 0.00 1.000 2.200 0.800000 5D 3 2 0.00 1.000 2.200 0.800000 Pseudization used: troullier-martins &input title='Au', zed=79., rel=2, config='[Xe] 4f14 6s1 6p0 5d10', iswitch=3, dft='PBE' / &inputp lpaw=.false., use_xsd=.FALSE., pseudotype=3, file_pseudopw='Au.rel-pbe-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 1.183501730907066e-5 1.198388350077537e-5 1.213462219865848e-5 1.228725695594822e-5 1.244181162213593e-5 1.259831034670267e-5 1.275677758289254e-5 1.291723809153360e-5 1.307971694490680e-5 1.324423953066353e-5 1.341083155579253e-5 1.357951905063667e-5 1.375032837296023e-5 1.392328621206732e-5 1.409841959297220e-5 1.427575588062193e-5 1.445532278417225e-5 1.463714836131719e-5 1.482126102267309e-5 1.500768953621788e-5 1.519646303178609e-5 1.538761100562044e-5 1.558116332498077e-5 1.577715023281075e-5 1.597560235246347e-5 1.617655069248638e-5 1.638002665146643e-5 1.658606202293620e-5 1.679468900034166e-5 1.700594018207249e-5 1.721984857655562e-5 1.743644760741287e-5 1.765577111868353e-5 1.787785338011243e-5 1.810272909250474e-5 1.833043339314805e-5 1.856100186130257e-5 1.879447052376059e-5 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