Minnesota Functionals.

max mercy mxm... at gmail.com
Wed Feb 12 11:44:45 UTC 2014

Dear CP2K community,

I am a new users of CP2K. I found this code fantastic and very complete. 
It is great that we can use DFT such BLYP with the dispersion from Grimme. 

I am use of Gaussian and in this community of molecular mechanism study the 
functional developed by the group of Prof. Donald Truhlar shown
more and more interest as they seems to be very powerfull for catalysis 
In gaussian09, M06  (M06-2X, M06-L and M11, M11-L) are implemented for 

So I was wondering if it was plan to find them in CP2K (or already avaible)?

I give you a link that show performance of this functional in the case of 
Gold reactivity:


Dr. Maxime Mercy
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20140212/e1d7000c/attachment.htm>

More information about the CP2K-user mailing list