Warning & Error ?

Linus.Xing 邢登辉 linu... at gmail.com
Wed Dec 24 02:08:59 UTC 2014

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.
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