[Wien] fermi level
Peter Blaha
pblaha at theochem.tuwien.ac.at
Mon Feb 20 14:32:29 CET 2006
Edit case.qtl and change the fermi energy in this file. Find out the proper
EF yourself by inspection of the "band-ranges" in case.scf
> 1-When I draw the bandstructure or tot DOS. The Fermi level it appears instead to top of Valance band it appears on the bottom of conduction band. Could you please let me know have I can correct it
> 2-I have a computer with 512 RAM, 2.5 CPU, P4 ,160G hard. I worked with Red Hat 9 and wien2k-02 version then I upgrade it with Fedora core and wien2k-05 version. Since the speed of calculations has been reduced. Could you please let me know why it reduced.
I don't know.
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.at WWW: http://info.tuwien.ac.at/theochem/
--------------------------------------------------------------------------
More information about the Wien
mailing list