[CP2K:10289] Grimme Dispersion with SCC DFTB

Jan-Niclas Luy luyjan... at gmail.com
Tue May 8 11:49:47 UTC 2018


the test calculation worked. By copying the DFTB section I got my example 
to work as well. I am not quite sure what caused the error. Could it have 
been an old .restart file still present in the directory?
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20180508/b4e6c196/attachment.htm>

More information about the CP2K-user mailing list