Posted by lily on October 03, 2007 at 03:35:30:
In Reply to: Re: About the keyword "alter" posted by Giovanni Ghigo on October 02, 2007 at 10:31:31:
Yes, I do find the message, such as "Molecular orbitals exchanged: In symmetry 5 : 1 2
In symmetry 6 : 1 2".I also understand the meaning of warnings. The RASSCF restart with the swapped orbitals, however, it converged to the orbitals which are the same as before swapped. So I think if there is something wrong when I use the keyword.