sorry as i have not posted the problem in better way, Actually i am calculating the bandstructure of a halfmetallic heusler alloy. instead of a semiconductor as it should be in the spin down configuration, i am getting a band structure which is slightly above the fermi level. The material is Co2CrGa i hope now the problem is understandable
_______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html