[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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