[DFTB-Plus-User] Total Mermin and Total MD

[Zhu Xi]

Hi,everyone,

May I know what's the difference between the "  Total Mermin energy" and "
Total MD energy"?

I found they are totally different, I need to know what is the exact "total
energy"

Thanks!
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://mailman.zfn.uni-bremen.de/pipermail/dftb-plus-user/attachments/20110202/550fcc7d/attachment.htm>