Posted by Alexandrina Stoyanova on September 06, 2005 at 09:49:56:
Does the SI program have any limit with respect to the number of active orbitals in total in one of the RASx (x=1,2,3) spaces? I can not get it work for RAS2=18 with 15 active electrons for each of the CAS states in the state interaction. Is there a way to overcome this limit or it is not possible to handle the dimentsions of the arrays of the orbitals and CI transformation matrices?
Thank You in advance!