[CP2K-user] [CP2K:20836] DFT-MD Error in CP2K

Hasan Tunçer tuncerhasan20 at gmail.com
Wed Oct 30 21:04:57 UTC 2024


Hi,

I am trying to do DFT-MD. However, although the job is done succesfully, my 
atoms are getting extremely far apart from each other. What might be the 
reason?

Please see the input file as attached.

Thanks,
Hasan

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