Generated using "atomic" code by A. Dal Corso v.6.3 Author: ADC Generation date: 4Sep2018 Pseudopotential type: USPP Element: Ni Functional: PBESOL Suggested minimum cutoff for wavefunctions: 75. Ry Suggested minimum cutoff for charge density: 479. Ry The Pseudo was generated with a Fully-Relativistic Calculation Local Potential by smoothing AE potential with Bessel fncs, cutoff radius: 1.5000 Pseudopotential contains additional information for spin-orbit calculations. Valence configuration: nl pn l occ Rcut Rcut US E pseu 3S 1 0 2.00 0.800 1.200 -8.138091 4S 2 0 2.00 0.800 1.200 -0.416015 3P 2 1 2.00 1.000 1.200 -5.343194 3P 2 1 4.00 1.000 1.200 -5.180731 3D 3 2 4.00 1.000 1.400 -0.663344 3D 3 2 4.00 1.000 1.400 -0.645759 Generation configuration: 3S 1 0 2.00 0.800 1.200 -8.138093 4S 2 0 2.00 0.800 1.200 -0.416016 3P 2 1 2.00 1.000 1.200 -5.343195 3P 2 1 4.00 1.000 1.200 -5.180731 4P 3 1 0.00 1.000 1.200 7.000000 4P 3 1 0.00 1.000 1.200 7.000000 3D 3 2 4.00 1.000 1.400 -0.663344 3D 3 2 4.00 1.000 1.400 -0.645752 3D 3 2 0.00 1.000 1.400 4.000000 3D 3 2 0.00 1.000 1.400 4.000000 Pseudization used: troullier-martins &input title='Ni', zed=28., rel=2, config='[Ar] 4s2 4p0 3d8', iswitch=3, dft='PBESOL' / &inputp lpaw=.false., use_xsd=.FALSE., pseudotype=3, file_pseudopw='Ni.rel-pbesol-spn-rrkjus_psl.1.0.0.UPF', author='ADC', lloc=-1, rcloc=1.5, which_augfun='PSQ', rmatch_augfun_nc=.true., nlcc=.true., new_core_ps=.true., rcore=0.8, tm=.true. / 6 3S 1 0 2.00 0.00 0.80 1.20 0.0 4S 2 0 2.00 0.00 0.80 1.20 0.0 3P 2 1 6.00 0.00 1.00 1.20 0.0 4P 3 1 0.00 7.00 1.00 1.20 0.0 3D 3 2 8.00 0.00 1.00 1.40 0.0 3D 3 2 0.00 4.00 1.00 1.40 0.0 3.256721305551844e-5 3.297685816675079e-5 3.339165597916365e-5 3.381167130575907e-5 3.423696977478643e-5 3.466761783999674e-5 3.510368279102638e-5 3.554523276391111e-5 3.599233675173251e-5 3.644506461539838e-5 3.690348709455846e-5 3.736767581865781e-5 3.783770331812893e-5 3.831364303572488e-5 3.879556933799493e-5 3.928355752690423e-5 3.977768385160012e-5 4.027802552032616e-5 4.078466071248598e-5 4.129766859085921e-5 4.181712931397052e-5 4.234312404861474e-5 4.287573498253932e-5 4.341504533728624e-5 4.396113938119574e-5 4.451410244257319e-5 4.507402092302194e-5 4.564098231094373e-5 4.621507519520885e-5 4.679638927899857e-5 4.738501539382113e-5 4.798104551370452e-5 4.858457276956763e-5 4.919569146377204e-5 4.981449708485711e-5 5.044108632246006e-5 5.107555708242408e-5 5.171800850209626e-5 5.236854096581797e-5 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