Posted by Dongxia on June 19, 2006 at 17:52:59:
In Reply to: Re: can I get a demo for SGI (irix 6.5)? posted by Valera Veryazov on June 16, 2006 at 12:29:02:
Thank you for your reply. I want to try because I want to obtain the CASPT2 one body spin density matrix (for both open shell and closed shell molecules). We used to use MOLCAS4 which, if my understanding was correct, couldn't do this job for open shell. So I wonder if the latest version works for this case.