Implementing new functionals

[Matt W]

I think your setup looks OK for distances ~< 10 A. Why you appear to get no 
binding I'm not sure.

Did you check with a known to be working functional?

Matt

On Thursday, May 1, 2014 9:10:42 AM UTC+1, August Melcher wrote:
>
> So should I use a different solver and rerun? Just zooming in on the plot 
> doesn't help.
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20140501/9514258e/attachment.htm>