[CP2K:9594] KEEP_ANGLES not possible in CELL_OPT using BFGS

Tobias Binninger t... at zurich.ibm.com
Tue Oct 31 09:51:56 UTC 2017


Hi Matthias,

thanks, and thanks a lot for the hint regarding cell optimization.

Best regards,
Tobias

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20171031/0eb38cc7/attachment.htm>


More information about the CP2K-user mailing list