Posted by Valera Veryazov on April 18, 2005 at 21:14:27:
In Reply to: basis set limitations posted by Lori Burns on April 18, 2005 at 20:12:10:
For an extended basis set SCF can find a linear dependence (actually, there is a warning message about this in the output). So, in rasscf input you must use DELETED keyword, to remove these virtual orbitals.
in Molcas 6 this problem has been eliminated, and the code corrects user input for rasscf.