[Wien] DOS in a single k-pointitrary

[Oleg Artamonov]

Dear  Gerhard,

Yes, You are right and a lot of states should be empty.
I consider the DOS in the arbitrary k-point as a number of occupied
states in a selected energy range and in the chosen volume of the
k-space around the k-point. This value depends on the dispersion of
states. Please, give me a hint how it is possible to calculate this
value in Wien2k.
		Thanks,
			Oleg Artamonov.


On Thu, 2008-12-11 at 18:04 +0100, Gerhard Fecher wrote:
> rho(E) = 1/N_k sum delta( epsilon_i,k - E)
> delta( epsilon_i,k - E) is 1 if you hit the state on the spaghetti and 0 if you do not hit it with youre k-point
> that means for most of the arbitrary k-points at arbitrary energies the density of states is zero.
> 
> Ciao
> Gerhard
> 
> ====================================
> Dr. Gerhard H. Fecher
> Institut of Inorganic and Analytical Chemistry
> Johannes Gutenberg - University
> 55099 Mainz
> ________________________________________
> Von: wien-bounces at zeus.theochem.tuwien.ac.at [wien-bounces at zeus.theochem.tuwien.ac.at] im Auftrag von Oleg Artamonov [arto at mail.nnz.ru]
> Gesendet: Donnerstag, 11. Dezember 2008 17:34
> An: A Mailing list for WIEN2k users
> Betreff: [Wien] DOS in a single k-pointitrary
> 
> Dear Wien2k users,
> 
> Perhaps, somebody has calculated the DOS in an arbitrary single
> k-point or the DOS distribution along a line in the BZ.
> How is it possible to do that in Wien2k?
> 
> Thanks in advance,
>                 Oleg Artamononov.
> 
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