Generated using "atomic" code by A. Dal Corso v.6.3 Author: ADC Generation date: 4Sep2018 Pseudopotential type: USPP Element: Rh Functional: PBESOL Suggested minimum cutoff for wavefunctions: 54. Ry Suggested minimum cutoff for charge density: 364. 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. Valence configuration: nl pn l occ Rcut Rcut US E pseu 4S 1 0 2.00 0.900 1.400 -6.313375 5S 2 0 2.00 0.900 1.400 -0.393245 4P 2 1 2.00 0.900 1.300 -4.148572 4P 2 1 4.00 0.900 1.300 -3.857519 4D 3 2 4.00 1.100 1.700 -0.653378 4D 3 2 3.00 1.100 1.700 -0.622197 Generation configuration: 4S 1 0 2.00 0.900 1.400 -6.313378 5S 2 0 2.00 0.900 1.400 -0.393252 4P 2 1 2.00 0.900 1.300 -4.148569 4P 2 1 4.00 0.900 1.300 -3.857500 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 -0.653380 4D 3 2 3.00 1.100 1.700 -0.622190 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='PBESOL' / &inputp lpaw=.false., use_xsd=.FALSE., pseudotype=3, file_pseudopw='Rh.rel-pbesol-spn-rrkjus_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 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