lda_orbitals
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These are atomic orbitals from exchange-only LDA calculations using five 15-node radial elements with HelFEM with full spherical averaging, which should give a good starting point for calculations in x2dhf. The format used for the data is (number of radial points) (number of orbitals) [ angular momenta of the orbitals ] [ orbital occupation numbers ] [ orbital energies ] [[ radius1 orbital11 orbital12 orbital13 ... orbital1N ]] 7 June 2019 Susi Lehtola