Hej!
I am trying to plot the electrostatic potential on the electron density for a crystal surface in DMol3 (with periodic boundary conditions). However, the density of the next replica overlaps with the density I want to plot (see attachement). Anyone who know how I can get rid of this "extra" density?
Johan Karlsson (Sweden)
I am trying to plot the electrostatic potential on the electron density for a crystal surface in DMol3 (with periodic boundary conditions). However, the density of the next replica overlaps with the density I want to plot (see attachement). Anyone who know how I can get rid of this "extra" density?
Johan Karlsson (Sweden)
