Warning & Error ?

[Linus.Xing 邢登辉]

Oh.no> I am doing the geometry optimization. How to deal with this problem ?



On Tuesday, December 23, 2014 11:56:03 PM UTC+8, Samuel Andermatt wrote:
>
> It means that your forces will not be correct. As long as you just 
> calculate energies you should be fine, but you cannot do molecular dynamics 
> or geometry optimization.
>
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20141223/784bd561/attachment.htm>