[DFTB-Plus-User] total energies for isolated B , C and N

khalfoun hafid h_khalfoun at yahoo.com
Sat Dec 21 13:30:33 CET 2019

Dear DFTB+ Users, 

What are the total energies of isolated B, C and N ?
How do we do for performing such energies ?
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://mailman.zfn.uni-bremen.de/pipermail/dftb-plus-user/attachments/20191221/d6712944/attachment.html>

More information about the DFTB-Plus-User mailing list