Posted by Roland Lindh on December 19, 2007 at 12:41:24:
In Reply to: Problem with DKH in MOLCAS 7 posted by Andy Kerridge on December 18, 2007 at 18:52:32:
Hi,
MOLCAS 7 will only do DKH if a basis set is classified as relativistic. Inline basis set now need the basis type to be specified otherwise the basis type will be considered to be unknown, which defaults as a non-relativistic basis set.
Take care,
-roland