[Pw_forum] Shifting Fermi energy for Fermi surface calculations

[Nicki Frank Hinsche]

Hi there,

I just want to know whether and how it is possible to shift the Fermi  
energy before constructing the Fermi surface?! See the following  
scenario:

1. making a scf calculation for a semiconductor - the Fermi energy  
will be in the energy gap (thats all right) and there will be (of  
course) no Fermi surface
2. I want to simulate doping for some tests, just by shifting the  
Fermi energy a bit into either valence or conduction band - there  
would be a fermi surface - this is what I want

...so,how can I shift the Fermi energy (manually) after a scf  
calculation to an energy quit near the original one and calculate the  
Fermi surface afterwards?

..thanks a lot

Nicki
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Nicki Frank Hinsche, Dipl. Phys.
Institut für Physik - Theoretische Physik,
Martin-Luther-Universität Halle-Wittenberg,
Von-Seckendorff-Platz 1, Raum 1.07
D-06120 Halle/Saale, Germany
Tel.: ++49 345 5525460
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