[CP2K-user] Constant force on certain atoms

Fabian Ducry fabia... at gmail.com
Wed Feb 5 13:42:52 UTC 2020


Dear all,

Can I add a (small) constant force on certain atoms in a GEO_OPT simulation?
I normally use DFT but maybe a mixed FF and DFT approach could do what I 
need.

Any pointer would be appreciated.

Thanks in advance,
Fabian
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