Dear all
I am confused by the fermi level recently.
I want to compare how the O2 2p orbital changes after it adsorbed on
graphite surface.
I compute the O2 and O2-surface , get fermi level separately, Ef_O2, and
Ef_O2-surface.
then I get O2 2p orbital by pdosxml, shift the two 2p orbital energy to zero
by subtracting Ef_O2, Ef_O2-surface,
And plot them in one coordinate system. Is it correct?
Or we can put the O2 and O2-surface in a big box, let them far enough that
there is no interaction between them
Or the two ways is not right?
Thank you very much.
Regards,
Gao Min
