[Pw_forum] van der waals force

[Mehrnaz Anvari]

<!--
		@page { size: 8.5in 11in; margin: 0.79in }
		P { margin-bottom: 0.08in }
	-->


Thanks a lot because of your attention. I
am trying to do phonon calculation in graphene so I think, having
well approximation for pseudo potential & exchange-correlation
one, will help you to achieve good frequencies which are compatible with
experiment.

Now I think in VdW force you should
have segnificient changes in your core density, because of polarization. It
seems that situation could be same when we use full potential (Isn't
true?)

Best Regards

Mehrnaz Anvari

Iran University Of Science &
Technology
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20090525/df298ce6/attachment.html>