Dear wien2k users, I am performing calculations of the energy gap in PbTe. Even with spin-orbit coupling this gap comes out of the order 0.7 eV instead of 0.2eV. Do somebody have any experience and can provide me with suggestions or recommendations how to perform calculations to obtain correct result?
Dima V. -------------- next part -------------- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20080519/ebeb53c7/attachment.html
