forces from SE MD is cutoff independent

bharat bharats... at gmail.com
Thu Nov 7 15:15:04 UTC 2013


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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