Generated using "atomic" code by A. Dal Corso v.6.2.2 Author: ADC Generation date: 4May2018 Pseudopotential type: USPP Element: Kr Functional: PBE Suggested minimum cutoff for wavefunctions: 55. Ry Suggested minimum cutoff for charge density: 252. Ry The Pseudo was generated with a Fully-Relativistic Calculation Local Potential by smoothing AE potential with Bessel fncs, cutoff radius: 2.0000 Pseudopotential contains additional information for spin-orbit calculations. Valence configuration: nl pn l occ Rcut Rcut US E pseu 4S 1 0 2.00 1.300 1.500 -1.693446 4P 2 1 2.00 1.300 1.600 -0.711273 4P 2 1 4.00 1.300 1.600 -0.664519 3D 3 2 4.00 1.300 1.500 -6.037100 3D 3 2 6.00 1.300 1.500 -5.941384 Generation configuration: 4S 1 0 2.00 1.300 1.500 -1.693445 4S 1 0 0.00 1.300 1.500 6.000000 4P 2 1 2.00 1.300 1.600 -0.711273 4P 2 1 4.00 1.300 1.600 -0.664514 4P 2 1 0.00 1.300 1.600 6.000000 4P 2 1 0.00 1.300 1.600 6.000000 3D 3 2 4.00 1.300 1.500 -6.037100 3D 3 2 6.00 1.300 1.500 -5.941384 3D 3 2 0.00 1.300 1.500 0.050000 3D 3 2 0.00 1.300 1.500 0.050000 Pseudization used: troullier-martins &input title='Kr', zed=36., rel=2, config='[Ar] 4s2 4p6 3d10', iswitch=3, dft='PBE' / &inputp lpaw=.false., use_xsd=.FALSE., pseudotype=3, file_pseudopw='Kr.rel-pbe-dn-rrkjus_psl.1.0.0.UPF', author='ADC', lloc=-1, rcloc=2.0, which_augfun='PSQ', rmatch_augfun_nc=.true., nlcc=.true., new_core_ps=.true., rcore=1.8, tm=.true. / 6 4S 1 0 2.00 0.00 1.30 1.50 0.0 4S 1 0 0.00 6.00 1.30 1.50 0.0 4P 2 1 6.00 0.00 1.30 1.60 0.0 4P 2 1 0.00 6.00 1.30 1.60 0.0 3D 3 2 10.00 0.00 1.30 1.50 0.0 3D 3 2 0.00 0.05 1.30 1.50 0.0 2.533005459873656e-5 2.564866746302839e-5 2.597128798379395e-5 2.629796657114594e-5 2.662875426927833e-5 2.696370276444192e-5 2.730286439302052e-5 2.764629214970864e-5 2.799403969579195e-5 2.834616136753207e-5 2.870271218465659e-5 2.906374785895607e-5 2.942932480298917e-5 2.979950013889714e-5 3.017433170732939e-5 3.055387807648106e-5 3.093819855124453e-5 3.132735318247589e-5 3.172140277637798e-5 3.212040890400161e-5 3.252443391086595e-5 3.293354092670036e-5 3.334779387530835e-5 3.376725748455596e-5 3.419199729648559e-5 3.462207967755693e-5 3.505757182901706e-5 3.549854179740068e-5 3.594505848516244e-5 3.639719166144333e-5 3.685501197297198e-5 3.731859095510353e-5 3.778800104299705e-5 3.826331558293381e-5 3.874460884377775e-5 3.923195602858004e-5 3.972543328632984e-5 4.022511772385266e-5 4.073108741785841e-5 4.124342142714132e-5 4.176219980493256e-5 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