[CP2K-user] [CP2K:17709] Cell size in GEO OPT for a cluster or molecule

[Niharendu Choudhury]

Dear all,
Greetings to all from Mumbai, India.
What should be the cell size relative to cluster/molecule size 
when GEO OPT is carried out using CP2K. Any thumb rule?

Niharendu Choudhury


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