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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