How is density matrix written in case.dmatup/dn? Is it written in the form <l,-l| <l,-l+1| |l,-l><l,-l+2|..... |l,-l> |l,-l+1> |l,-l+2> .... -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20111108/265b3411/attachment.htm>