Dear WIEN2k users and Prof. Blaha: Could you teach me if there's a way to calculate the Energy vs. volume curve for bulk, QW, QWR, QD (whatever, e.g. GaAs bulk crystal) with realistic band gap ( comparable to the experimental value)?
As far as I know, mBJ is only a potential which is not applicable to the optimization, while HSE functional is not yet introduced into WIEN2k. Kind regards, Mat
