I would like to study the interaction between 2 organic molecules (contains
O, H, and C atoms).
As the first step I relax
dft-input= 'vdw-df' )
Using vdw-df we should use rev-pbe pseudopotential but
it seems that my results from blyp+vdw-df is better that revpbe+vdw-df.
Can we use blyp pseudopotentials with vdw-df?
I really appreciate your help.
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