[Wien] band structure in semiconductors

[delamora]

Are you calculating Density of States (DOS) or bands.

In DOS the k-points are widened to give a smooth curve, so Ef is surpassed by a little DOS tail.

In the bands Ef should be touching the upper edge of the band.

    Saludos


                Pablo

________________________________
De: wien-bounces at zeus.theochem.tuwien.ac.at <wien-bounces at zeus.theochem.tuwien.ac.at> en nombre de Sahra Sahraii <sahraii1900 at yahoo.com>
Enviado: domingo, 05 de octubre de 2014 04:47 a.m.
Para: wien at zeus.theochem.tuwien.ac.at
Asunto: [Wien] band structure in semiconductors

Dear wien2k users

I'm calculating electronic band structure of some narrow band gap semiconductors, according to these calculations the top of the valance band locates a bit above the Fermi level , the top of the valance band crosses the fermi level, what does it mean? why in these compounds that they are semiconductors, the Fermi level is crossed by the valance band.
 Best wishes
Sahraii
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