PCMSOLVER

Input File Description
pcmsolver/ccsd-pte coupled-cluster with PCM
pcmsolver/opt-fd PCM-SCF STO-3G geometry optimization by finite differences, with Z-matrix input
pcmsolver/dipole dipole moment for HF and B3LYP in presence of perturbation updated B3LYP values due to new BraggSlater radii
pcmsolver/dft pcm updated totalenergy to new BraggSlater radii values
pcmsolver/scf pcm