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