I was performing a TDDFT/EFP/PCM calculation for a system with the first solvation shell. The results seem that the solvation effect is being counted twice, that is, EFP+PCM instead of EFP/PCM. I have read a paper on the implementation and it says in Bandyopadhyay et al 2002:
" Recall that in the EFP/PCM approach the molecular cavity is obtained in terms of a generalized solute represented by the solute itself plus the solvent molecules introduced by the EFP model"
which seems like what a user might expect but the results do not seem so. Although, after lowering the SAS radius to the solvation shell radius, the results get considerably better.
So, is it a bug, or the method is supposed to have a bad accuracy?