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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.


next up previous contents index
Next: Hyperfine Parameters Up: The INCAR File Previous: vdW-DF functional of Langreth   Contents   Index
N.B. Requests for support are to be addressed to: vasp.materialphysik@univie.ac.at