Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9415 Author: ADC Generation date: 11Sep2012 Pseudopotential type: PAW Element: Ni Functional: SLA PZ NOGX NOGC Suggested minimum cutoff for wavefunctions: 42. Ry Suggested minimum cutoff for charge density: 236. Ry The Pseudo was generated with a Scalar-Relativistic Calculation Local Potential by smoothing AE potential with Bessel fncs, cutoff radius: 2.1000 Valence configuration: nl pn l occ Rcut Rcut US E pseu 4S 1 0 2.00 1.700 2.200 -0.431147 4P 2 1 0.00 1.900 2.200 -0.098630 3D 3 2 8.00 1.500 1.800 -0.671626 Generation configuration: 4S 1 0 2.00 1.700 2.200 -0.431145 4S 1 0 0.00 1.500 2.200 6.300000 4P 2 1 0.00 1.900 2.200 -0.098630 4P 2 1 0.00 1.500 2.200 6.500000 3D 3 2 8.00 1.500 1.800 -0.671622 3D 3 2 0.00 0.700 1.800 -0.400000 Pseudization used: troullier-martins title='Ni', zed=28., rel=1, config='[Ar] 4s2 3d8 4p0', iswitch=3, dft='LDA' / &inputp lpaw=.true., pseudotype=3, file_pseudopw='Ni.pz-n-kjpaw_psl.0.1.UPF', author='ADC', lloc=-1, rcloc=2.1, which_augfun ='PSQ', rmatch_augfun= 1.3, nlcc=.true., new_core_ps=.true., rcore=1.0, tm=.true. / 6 4S 1 0 2.00 0.00 1.70 2.20 0.0 4S 1 0 0.00 6.30 1.50 2.20 0.0 4P 2 1 0.00 0.00 1.90 2.20 0.0 4P 2 1 0.00 6.50 1.50 2.20 0.0 3D 3 2 8.00 0.00 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