Tag Archives: self consisteny

Self-consistent GW on eigenvalues only with the Yambo code

Not working anymore in Yambo 4.5 For molecules and also for molecular solids, the G0W0 approach often gives poor results. The main reason of this failure is  the DFT  starting point. In fact local or semi-local exchange correlation functionals give a too small gap compared with the experimental one, and a single shot GW is… Read More