Dear, I want to calculate antiferromagnetic coupling in Mg-doped GaN, but I don't know how to design the inst-file of Mg. I'll appreciated for receiving this answer! Best regards, c w zhang -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20100312/2e677ce9/attachment.htm>