Manual DFT+U

Current status: READY

Quantum Studio uses modern Quantum ESPRESSO Hubbard-card syntax.

A representative rotationally invariant correction is

$$E_U = \frac{U_{\mathrm{eff}}}{2} \sum_{I,\sigma} \mathrm{Tr} \left[ n^{I\sigma} - (n^{I\sigma})^2 \right].$$

The user chooses species, manifold, $U$, and projector type.

This is a prescribed-U calculation.