[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
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