You do not have permission to delete messages in this group
Copy link
Report message
Show original message
Either email addresses are anonymous for this group or you need the view member email addresses permission to view the original message
to molpr...@googlegroups.com
Dear all,
I want to compute the excitation energies using the MRCI method and complete basis set (CBS). For some states, I have two roots. I do not know why the extrapolation method only computes one of the roots. Do I have to compete separately for each root or is there a way to compute for both roots?