Implementing new functionals

August Melcher august... at gmail.com
Tue Apr 8 21:56:41 UTC 2014


Alright, it's working now. I'm going to talk to Narbe Mardirossian (who 
developed the functional) about the best way to test it.

On Tuesday, March 4, 2014 12:30:36 PM UTC-8, August Melcher wrote:
>
> Hello,
>
> I would like to implement the ωB97X-V functional as presented in this 
> paper: http://www.ncbi.nlm.nih.gov/pubmed/24430168
> I am relatively new to CP2K so I apologize if this is a trivial question, 
> but would someone mind assisting me in implementing this functional?
>
> Thanks,
> August
>
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