Thanks a lot Dr. Paolo and dear Linh. On Fri, May 21, 2010 at 10:11 PM, Paolo Giannozzi <giannozz at democritos.it>wrote:
> mohnish pandey wrote: > > > I want to calculate the dipole moment of some thin polar films. > > for a thin polar film, you can try to make a planar average > of the charge density (code average.x, doc in the header of > PP/average.f90) and then calculate the dipole by integrating > along z. > > P > -- > Paolo Giannozzi, Democritos and University of Udine, Italy > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > -- Regards, MOHNISH, ----------------------------------------------------------------- Mohnish Pandey Y6927262,4th Year dual degree student, Department of Chemical Engineering, IIT KANPUR, UP, INDIA +919235721300 ----------------------------------------------------------------- -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20100521/bf3d441a/attachment.htm
