[CP2K:4774] forces from SE MD is cutoff independent

Teodoro Laino teodor... at gmail.com
Thu Nov 7 16:46:59 UTC 2013

SE does not depend on cutoff.

On 07 Nov 2013, at 16:15, bharat <bharats... at gmail.com> wrote:

> Hello Everyone,
> I performed a SE-MD calculation where I wanted to see force differences on each atom with different cutoff values. I started varying cutoff from 1.0E-8 to 350 Ry (randomly). I did not see any differences in forces. Now I wonder, is it expected or something going wrong?
> Thank you for your suggestions.
> Bharat 
> -- 
> You received this message because you are subscribed to the Google Groups "cp2k" group.
> To unsubscribe from this group and stop receiving emails from it, send an email to cp2k+uns... at googlegroups.com.
> To post to this group, send email to cp... at googlegroups.com.
> Visit this group at http://groups.google.com/group/cp2k.
> For more options, visit https://groups.google.com/groups/opt_out.

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20131107/00993bbd/attachment.htm>

More information about the CP2K-user mailing list