Warning & Error ?

Samuel Andermatt samuel.a... at student.ethz.ch
Tue Dec 23 15:56:03 UTC 2014


It means that your forces will not be correct. As long as you just 
calculate energies you should be fine, but you cannot do molecular dynamics 
or geometry optimization.

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20141223/bbca2e68/attachment.htm>


More information about the CP2K-user mailing list