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DFT+U with combined j-dependent orbitals

Nicolas Tancogne-Dejean requested to merge dft_u/combine_j_orbitals into main

Description

Allow for combining j-dependent orbitals in a single set of orbitals. This allows to define a single Hubbard U when using j-dependent pseudopotentials, instead of one Hubbard U for j=l-1/2 and one for j=l+1/2 orbitals. This is useful when to get the ab initio Hubbard U on say "d" orbitals when using a j-dependent pseudopotential.

News snippet

Allow for combining j-dependent orbitals in a single set of orbitals.

Checklist

  • I have checked that my code follows the Octopus coding standards
  • I have added tests for all the new features added in this request.

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