[Pw_forum] Fermi level in DOS

[Lorenzo Paulatto]

On Fri, 03 Dec 2010 15:34:43 +0100, JAIME GUSTAVO RODRIGUEZ ZAVALA  
<jgrz2010 at yahoo.com.mx> wrote:
> When you calculate the density of states, where is
> located the Fermi level?


\int_{-\infty}^{E_f} \theta(\epsilon) d\epsilon = N_e

where:
  \theta(\epsilon) is the DOS,
  E_f is the Fermi energy,
  N_e is the number of electrons (per unit cell).

In any case, if you system is metallic, the value of E_f (in eV) is  
printed on output by pw.x during the calculation.

regards


-- 
Lorenzo Paulatt (IdR)
IMPMC - CNRS UMR 7590 & Université P&M Curie
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