Rigid Body Minimisations

Edward Pyzer-Knapp e.o.pyz... at gmail.com
Tue Sep 4 05:54:41 UTC 2012


Hi,
I am interested in performing rigid body minimisations (ie just optimising 
cell without altering the molecular geometries) on crystal structures. I 
have read elsewhere in this group that this was not possible in cp2k, but 
this was in 2008.  Has this now been implemented? If so, how do I go about 
calling this?

Ed
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