Long story short, the VASP manual delineates that the metal-GGA could be utilized for hybrid functional with appropriate Fock operator using AEXX tag.

However, there are no explicit notifications regarding “screened hybrid functional for meta-GGA” such as HSE using HFSCREEN.

Is there any who have a experience for doing screened hybrid functional using meta-GGA (specifically, HFSCREEN)?

Important thing is it works and the result electronic structure is reasonable.

Thanks

More Eui-Cheol Shin's questions See All
Similar questions and discussions