Dear All, I made a SiC/SiO2 structure with QE. The code kept giving me "charge is wrong, smearing is needed", no matter what charges I used (even after correcting charges for several times. This is why I used smearing with degauss=0.018. Now that I get a fermi level, I was wondering how to interpret it for a semiconductor system. I guess that since the number of states in the gap is high,, the code considers it as a "metal system"; however, as I wrote, I don't know how to interpret the fermi level. I really appreciate your help and support. Thanks in advance. Yours P Shok UMD -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110316/01bb9c01/attachment.htm
