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

[Bharat Sharma]

Thank you Teo for your quick response... I also posted problem related to
SE GEO_OPT calculation in PBC. Can you please comment on that?

Bharat


On Thu, Nov 7, 2013 at 11:46 AM, Teodoro Laino <teodor... at gmail.com>wrote:

> 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.
>
>
>  --
> 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/b77a5fd2/attachment.htm>