[Pw_forum] dipole moment of thin polar films

[Paolo Giannozzi]

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