[Pw_forum] dipole moment of thin polar films

[mohnish pandey]

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
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-- 
Regards,
MOHNISH,
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Mohnish Pandey
Y6927262,4th Year dual degree student,
Department of Chemical Engineering,
IIT KANPUR, UP, INDIA
+919235721300
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