Dear Dr.Balaha Now,I used from reduce RMTs by 5% ,but that problem not fixed.Ni,Co=2.17a.u. and Ga=2.12a.u. -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20141008/d44e2557/attachment.html>