Generated using "atomic" code by A. Dal Corso v.6.3 Author: ADC Generation date: 6Sep2018 Pseudopotential type: PAW Element: Rh Functional: SLA PW PBX PBC Suggested minimum cutoff for wavefunctions: 54. Ry Suggested minimum cutoff for charge density: 453. Ry The Pseudo was generated with a Fully-Relativistic Calculation Local Potential by smoothing AE potential with Bessel fncs, cutoff radius: 1.2000 Pseudopotential contains additional information for spin-orbit calculations. Pseudopotential contains additional information for GIPAW reconstruction. Valence configuration: nl pn l occ Rcut Rcut US E pseu 4S 1 0 2.00 0.900 1.400 -6.319230 5S 2 0 2.00 0.900 1.400 -0.390239 4P 2 1 2.00 0.900 1.300 -4.151549 4P 2 1 4.00 0.900 1.300 -3.861940 4D 3 2 4.00 1.100 1.700 -0.653113 4D 3 2 3.00 1.100 1.700 -0.621989 Generation configuration: 4S 1 0 2.00 0.900 1.400 -6.319221 5S 2 0 2.00 0.900 1.400 -0.390242 4P 2 1 2.00 0.900 1.300 -4.151535 4P 2 1 4.00 0.900 1.300 -3.861910 5P 2 1 0.00 0.900 1.300 -2.500000 5P 2 1 0.00 0.900 1.300 -2.500000 4D 3 2 4.00 1.100 1.700 -0.653106 4D 3 2 3.00 1.100 1.700 -0.621973 4D 3 2 0.00 1.100 1.700 0.500000 4D 3 2 0.00 1.100 1.700 0.500000 Pseudization used: troullier-martins &input title='Rh', zed=45., rel=2, config='[Kr] 5s2 5p0 4d7', iswitch=3, dft='PBE' / &inputp lpaw = .true., use_xsd=.FALSE., pseudotype=3, file_pseudopw='Rh.rel-pbe-spn-kjpaw_psl.1.0.0.UPF', author='ADC', lloc=-1, rcloc=1.2, which_augfun='PSQ', rmatch_augfun_nc=.true., nlcc=.true., new_core_ps=.true., rcore=1.0, tm=.true. / 6 4S 1 0 2.00 0.00 0.90 1.40 0.0 5S 2 0 2.00 0.00 0.90 1.40 0.0 4P 2 1 6.00 0.00 0.90 1.30 0.0 5P 2 1 0.00 -2.50 0.90 1.30 0.0 4D 3 2 7.00 0.00 1.10 1.70 0.0 4D 3 2 0.00 0.50 1.10 1.70 0.0 2.026404367898925e-5 2.051893397042272e-5 2.077703038703516e-5 2.103837325691676e-5 2.130300341542267e-5 2.157096221155353e-5 2.184229151441642e-5 2.211703371976692e-5 2.239523175663356e-5 2.267692909402566e-5 2.296216974772527e-5 2.325099828716486e-5 2.354345984239134e-5 2.383960011111770e-5 2.413946536586351e-5 2.444310246118485e-5 2.475055884099563e-5 2.506188254598072e-5 2.537712222110238e-5 2.569632712320129e-5 2.601954712869276e-5 2.634683274136029e-5 2.667823510024668e-5 2.701380598764477e-5 2.735359783718847e-5 2.769766374204554e-5 2.804605746321366e-5 2.839883343792055e-5 2.875604678812996e-5 2.911775332915467e-5 2.948400957837758e-5 2.985487276408282e-5 3.023040083439764e-5 3.061065246634704e-5 3.099568707502219e-5 3.138556482286403e-5 3.178034662906388e-5 3.218009417908212e-5 3.258486993428674e-5 3.299473714171304e-5 3.340975984394605e-5 3.383000288912736e-5 3.425553194108779e-5 3.468641348960738e-5 3.512271486080482e-5 3.556450422765698e-5 3.601185062065126e-5 3.646482393857169e-5 3.692349495942075e-5 3.738793535147869e-5 3.785821768450164e-5 3.833441544106094e-5 3.881660302802488e-5 3.930485578818491e-5 3.979925001202822e-5 4.029986294965812e-5 4.080677282286461e-5 4.132005883734669e-5 4.183980119508838e-5 4.236608110689059e-5 4.289898080506021e-5 4.343858355625927e-5 4.398497367451547e-5 4.453823653439643e-5 4.509845858434965e-5 4.566572736021019e-5 4.624013149887843e-5 4.682176075216964e-5 4.741070600083796e-5 4.800705926877677e-5 4.861091373739744e-5 4.922236376018927e-5 4.984150487746230e-5 5.046843383127571e-5 5.110324858055414e-5 5.174604831639363e-5 5.239693347756074e-5 5.305600576618607e-5 5.372336816365562e-5 5.439912494670185e-5 5.508338170369687e-5 5.577624535115109e-5 5.647782415041908e-5 5.718822772461555e-5 5.790756707574440e-5 5.863595460204270e-5 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