Greetings SIESTA users I wish to calculate polarizability tensor for molecules adsorbed on Si(111) substrate. I failed to find any thread regarding polarizability calculation in archives.
One way to do this i believe is to calculate polarization vector for varying external electric field and then calculate back the polarizability tensor. Kindly comment if this approach will work and kindly suggest if there exists better options to perform the desired calculation. Triratna P. Muneshwar Graduate (PhD) Student Chemical and Materials Engineering University of Alberta Edmonton, Canada
