Dear all I am calculating the density of states of the bcc iron, the lattice
parameter is 5.416902 Bohr, the space group is NO. 229, the problem I
encoutered is that when calculating the density of states, the plotted range of
energy is alway less than the Fermi level,
I see in the case.int file that the Emax is lager than the Fermi level, could
someone help me to see why the plotted range of energy is less than the Fermi
level?
Thanks a lot
Mingcui
Tongji universigy China
_______________________________________________
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
