Draft: enable DFT+U with SOC for s, p, and f orbitals
Draft: enable DFT+U with SOC for s, p, and f orbitals
@jjunquer Could you check?
Details
Please detail what this MR introduces
-
Describe in details what this MR does? (link to the issue by writing # here) -
Does this MR change the behaviour of any fdf-flags? If so, ensure this is documented in the manual -
If new fdf-flags are added, please add thorough descriptions to the manual -
add a summary sentence in the ReleaseNotes.md file -
if this breaks compatibility, add mentions to the Docs/compatibility.tex
Why is it needed
The DFT+U with SOC is only available for d orbitals, because the Slater-F(n) coefficients are not tabled.
Authors
Edited by Xu He