I try a lot of calculation method (inc GW-LDA, PBE0, HSE), however I am still fail to reproduce correct band order of Ge. I found a paper that discussed about core polarization potential GW. They reported that the band order of Ge is successfully obtained  within this method. Here is the link : http://journals.aps.org/prl/abstract/10.1103/PhysRevLett.69.2955

Could anyone tell me how to do this cal in VASP? 

More Elisa Founda's questions See All
Similar questions and discussions