[Pw_forum] Fermi level in DOS

Lorenzo Paulatto Lorenzo.Paulatto at impmc.upmc.fr
Fri Dec 3 15:46:03 CET 2010

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

  \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.


Lorenzo Paulatt (IdR)
IMPMC - CNRS UMR 7590 & Université P&M Curie
T23-C13/23-5e27 - 4 place Jussieu - 75252 Paris Cedex5
phone: +33 (0)144 27 5211
www:   http://www-int.impmc.upmc.fr/~paulatto/

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