Implementing new functionals
August Melcher
august... at gmail.com
Sat May 3 20:04:47 UTC 2014
Could someone please clarify whether I should be seeing binding for the
neon dimer using the B97 functional? Because I currently am not seeing any
but according to the Q-Chem reference data, I should be.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20140503/9463b74a/attachment.htm>
More information about the CP2K-user
mailing list