[CP2K-user] CP2K output cif file for converged structure?

Stephen Vicchio svi... at g.clemson.edu
Tue Sep 17 12:39:51 UTC 2019


All, 

Is there a way for CP2K to write the final converged structure as a .cif 
file? I've checked the manual online, but couldn't find anything if CP2K is 
capable. 

Thanks!

Stephen 
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20190917/d53452f4/attachment.htm>


More information about the CP2K-user mailing list