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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