Thanks a lot Dr. Paolo and dear Linh.<br><br><div class="gmail_quote">On Fri, May 21, 2010 at 10:11 PM, Paolo Giannozzi <span dir="ltr"><<a href="mailto:giannozz@democritos.it">giannozz@democritos.it</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex;"><div class="im">mohnish pandey wrote:<br>
<br>
> I want to calculate the dipole moment of some thin polar films.<br>
<br>
</div>for a thin polar film, you can try to make a planar average<br>
of the charge density (code average.x, doc in the header of<br>
PP/average.f90) and then calculate the dipole by integrating<br>
along z.<br>
<br>
P<br>
<font color="#888888">--<br>
Paolo Giannozzi, Democritos and University of Udine, Italy<br>
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</div></div></blockquote></div><br><br clear="all"><br>-- <br>Regards,<br>MOHNISH,<br>-----------------------------------------------------------------<br>Mohnish Pandey<br>Y6927262,4th Year dual degree student,<br>Department of Chemical Engineering,<br>
IIT KANPUR, UP, INDIA<br>+919235721300<br>-----------------------------------------------------------------<br>