[Wien] Mg-inst-file
He/she may like to study a possible AF coupling between the 2p holes of two N? What a nonsense! You probably want to dope with Mn, not Mg Mg will never be magnetic. zhchwsd schrieb: Dear, I want to calculate antiferromagnetic coupling in two Mg-doped GaN. I don't know how to design the inst-file of Mg, since Mg has two 3s electrons. I'll appreciated for receiving this answer! Best regards, c w zhang ___ Wien mailing list Wien at zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -- P.Blaha -- Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna Phone: +43-1-58801-15671 FAX: +43-1-58801-15698 Email: blaha at theochem.tuwien.ac.atWWW: http://info.tuwien.ac.at/theochem/ -- ___ Wien mailing list Wien at zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
[Wien] Mg-inst-file
What a nonsense! You probably want to dope with Mn, not Mg Mg will never be magnetic. zhchwsd schrieb: Dear, I want to calculate antiferromagnetic coupling in two Mg-doped GaN. I don't know how to design the inst-file of Mg, since Mg has two 3s electrons. I'll appreciated for receiving this answer! Best regards, c w zhang ___ Wien mailing list Wien at zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -- P.Blaha -- Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna Phone: +43-1-58801-15671 FAX: +43-1-58801-15698 Email: blaha at theochem.tuwien.ac.atWWW: http://info.tuwien.ac.at/theochem/ --
[Wien] Mg-inst-file
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
