[Pw_forum] van der walls forces and pseudo-potentials

Zara Nosh z.nrbsh at gmail.com
Sun Oct 16 16:59:47 CEST 2016


Dear all,
I would like to study the interaction between 2 organic molecules (contains
O, H, and C atoms).
I calculate vdw forces with vdw-df algorithm which should be used rev-pbe
pseudopotential but it seems that my results by blyp+vdw-df is better than
revpbe+vdw-df.
Can we use blyp pseudopotentials with vdw-df?

I really appreciate your help.

Zara,
Tern uni
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