[DFTB-Plus-User] MDRestartFrequency=1 or 10

[Bálint Aradi]

Dear Xiaobao Zhang,

> The result (MDRestartFrequency =1) is different from that
> (MDRestartFrequency=10),when the MD iter is bigger than 300 steps. 
> The difference is more and more big with the MD iter increasing.    Why?

Could you specify more detailed, what you mean with "the result is
different"? Different trajectory? Different energies?

  Best regards,

  Bálint

-- 
Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen
http://www.bccms.uni-bremen.de/cms/people/b_aradi/


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