[Pw_forum] Van der Walls interaction

manoj narayanan manojnarayan86 at gmail.com
Sun Aug 12 07:22:29 CEST 2012


Dear users
                              In my calculation with carbon chain between 9
to 12 carbon atoms I have to include Van der walls interaction and I am not
clear about it's inclusion in DFT. What all are the key words
and parameters for that and how effective is the implementation?  Can
anyone shed some light in to this.

Thanking all in advance
Manoj
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20120812/91b1104f/attachment.html>


More information about the users mailing list