Posted by Björn Roos on April 19, 2005 at 09:03:35:
In Reply to: basis set limitations posted by Lori Burns on April 18, 2005 at 20:12:10:
An additional comment. It is dangerous to use basis sets from the MOLCAS-6 library in MOLCAS-5. Some of these basis sets have been augmented with information used by the new facility GUESSORB (in particular the ANO and CC basis sets). Users of MOLCAS-5 are strongly advised to update to MOLCAS-6.
Björn Roos