[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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