next up previous contents index
Next: Hyperfine Parameters Up: The INCAR File Previous: vdW-DF functional of Langreth   Contents   Index

N.B. This document is no longer maintained, please visit our wiki.


Electric Field Gradients

Electric field gradients at the positions of the atomic nuclei can be calculated by VASP using the method of Ref. [150].

The following flags control the behaviour of VASP:

Beware: for heavy nuclei inaccuracies are to be expected because of an incomplete treatement of relativistic effects.



N.B. Requests for support are to be addressed to: vasp.materialphysik@univie.ac.at