VdW forces

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Revision as of 10:54, 23 October 2012 by 10.0.7.27 (talk) (New page: == TRICKS: VDW forces == To include vdW interactions in a calculation with VASP, simply add this tag to your INCAR file: '''LVDW = .TRUE.''' The vdW's contribution to th...)
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TRICKS: VDW forces

To include vdW interactions in a calculation with VASP, simply add this tag to your INCAR file:

       LVDW = .TRUE.

The vdW's contribution to the energy is easy to identify in the OUTCAR file (if you open the file with vi you can find it with /vdW). Up to now the best results were obtained using the RPBE pseudopotential; to use it, insert this tag in your INCAR file:

       GGA = RP