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://www.democritos.it/pipermail/pw_forum/attachments/20120812/91b1104f/attachment.htm
