Hubbard U Determination

Current status: READY

Hubbard U Determination is a separate linear-response workflow using QE hp.x.

In simplified notation,

$$U = (\chi_0^{-1}-\chi^{-1})_{II}.$$

The actual value depends on structure, pseudopotentials, projector definition, k/q meshes, and the correlated subspace.

A finite $U$ from a smoke test validates software integration but is not automatically a physically converged material parameter.

Do not confuse the two U workflows

“DFT+U with U = 3 eV” means the user supplied a correction. “Hubbard U Determination” means Quantum Studio computes a response-based $U$.