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DFT ground state does not necessarily have 7s higher in energy than 6d. In fact, my featom code finds the following ground state energies/occupations for LDA (using Fermi-Dirac occupation with 0.001 Ha smear):
John:
DFT ground state does not necessarily have 7s higher in energy than 6d. In fact, my featom code finds the following ground state energies/occupations for LDA (using Fermi-Dirac occupation with 0.001 Ha smear):
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