[Pw_forum] Applying vdW to only part of a system

Ian Shuttleworth shuttleworth.ian at gmail.com
Mon Sep 11 17:33:30 CEST 2017


Is it possible to apply vdW forces to only a part of system?

I am thinking of examples where, for example, a vdW adlayer (e.g. benzene)
sits on a surface, and surface doesn't need vdW corrections.

If I add the vdw_corr toggle (or if I set an appropriate value
to 'input_dft') I've understood that vdW are applied to the entire system -
if this is right, how could I make this option more selective?

With thanks

Ian
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