Generated using "atomic" code by A. Dal Corso v.6.2.2 Author: ADC Generation date: 3May2018 Pseudopotential type: PAW Element: Hf Functional: SLA PZ NOGX NOGC Suggested minimum cutoff for wavefunctions: 46. Ry Suggested minimum cutoff for charge density: 265. Ry The Pseudo was generated with a Scalar-Relativistic Calculation Local Potential by smoothing AE potential with Bessel fncs, cutoff radius: 1.7000 Pseudopotential contains additional information for GIPAW reconstruction. Valence configuration: nl pn l occ Rcut Rcut US E pseu 5S 1 0 2.00 1.000 1.300 -4.936683 6S 2 0 2.00 1.000 1.300 -0.387223 5P 2 1 6.00 1.100 1.300 -2.624547 5D 3 2 2.00 1.500 1.600 -0.211121 Generation configuration: 5S 1 0 2.00 1.000 1.300 -4.936757 6S 2 0 2.00 1.000 1.300 -0.387232 5P 2 1 6.00 1.100 1.300 -2.624595 6P 3 1 0.00 1.100 1.300 -2.200000 5D 3 2 2.00 1.500 1.600 -0.211141 5D 3 2 0.00 1.500 1.600 0.050000 Pseudization used: troullier-martins &input title='Hf', zed=72., rel=1, config='[Xe] 4f14 6s2 6p0 5d2', iswitch=3, dft='LDA' / &inputp lpaw=.true., use_xsd=.FALSE., pseudotype=3, file_pseudopw='Hf.pz-spn-kjpaw_psl.1.0.0.UPF', author='ADC', lloc=-1, rcloc=1.7, 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 1.00 1.30 0.0 6S 2 0 2.00 0.00 1.00 1.30 0.0 5P 2 1 6.00 0.00 1.10 1.30 0.0 6P 3 1 0.00 -2.20 1.10 1.30 0.0 5D 3 2 2.00 0.00 1.50 1.60 0.0 5D 3 2 0.00 0.05 1.50 1.60 0.0 1.266502729936828e-5 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