[CP2K:6600] Errors in regtests, CP2K 2.6

Andreas Glöss andreas... at gmail.com
Thu Jun 11 14:34:04 UTC 2015


Hi Brigitte,

Just in case you need higher angular momenta later - using the same values 
for CP2K and LIBINT will not work. If you don't use LIBINT's defaults, you 
will need to increase the corresponding CP2K values by 1.

Please have a look at the following location and search for 'Note':

cp2k/tools/hfx_tools/libint_tools/README_LIBINT

Best regards,
Andreas
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20150611/083f2c0f/attachment.htm>


More information about the CP2K-user mailing list