Hello, I am trying to calculate polarization of a polymer encased gold cluster. Using PolarizationGrids I was told that "this is hardly an insulator". I then tried a polarization calculation of a single gold atom in a large (20x20x20A) empty cell which should certainly be an insulator, but was again told that it was hardly an insulator. Is SIESTA just seeing that I have a metal atom and rejecting me right away? Any ideas how I can get around this?
Thank you, Chris Rowan M.Sc. Candidate University of Victoria
