[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
>
>
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