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-bo
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 tha
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