LZORA
LZORA = [logical]
Default: LZORA = .False.
Description: LZORA = .True. yields ZORA scalar-relativistic chemical shieldings.
LZORA = .True. allows accounting for spin-orbit coupling (SOC) for the computation of nuclear magnetic resonance (NMR) chemical shielding tensors (LCHIMAG) within linear response theory. The relativistic effects are included on the level of the scalar-relativistic zeroth-order regular approximation (ZORA).[1]
| Mind: This tag is only supported as of VASP.6.6.0. |