Dear vamsi kv:
> >can we know waht is the initial charge density guess May be you can get it by setting "Convergence threshold for selfconsistency" very large. 2. What is bonding chargedensity? I think "Partial charge density." may help you;) -- > ____________________________________ > Hui Wang > School of physics, Nankai University, Tianjin, China -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20090805/a2b15ff8/attachment.htm
