[Wien] DOS
Stefaan Cottenier
Stefaan.Cottenier at fys.kuleuven.be
Wed Apr 26 09:28:43 CEST 2006
> I sum the DOS in the Valence Band , It should be equal to the
> number of all electron in the Valence Band.
> But the result is too big to hundreds, there just have 3 atom in the
> cell. Does anybody tell me the meaning of
> the DOS sum (DOS area) in physics?
The area -- up to E_F -- is indeed the number of valence electrons
(ignoring sharply peaked semicore states). Perhaps you made an error
in making the integral (probably done as a Rieman sum: DOS-value *
energy-step, and this summed from 'minus infinity' to E_F)?
Look in case.outputt, where you have next to the columns with the DOS-
values also the integral as a function of energy directly given.
Stefaan
Disclaimer: http://www.kuleuven.be/cwis/email_disclaimer.htm
More information about the Wien
mailing list