Dear all, I would like to study the interaction between 2 organic molecules (contains O, H, and C atoms). As the first step I relax ed the structure
( using 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. Zara, Tern uni
