Dear QE-users, how can i calculate the induced dipole moment of an adatom at a surface with solvation model? In vacuum the charge density difference (rho_system - rho_clean surf. - rho_atom) multiply by the z position (Z perpendicular to the surface) is integrated, but with the solvent? the atom will be all surrounded by water, can i use the same?
Thanks, -- A. Dávila AG. Pehlke Institut für Theoretische Physik und Astrophysik Christian-Albrechts-Universität zu Kiel Leibnizstr. 15 24118 Kiel _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
