My Community

Hi,

I'm interested in calculating the Hubbard U parameter self consistently for meta-GGA functionals as described here https://www.vasp.at/wiki/index.php/Calc ... r_LSDA%2BU; however according to the output ICHARG>9 is currently not supported for meta-GGA functionals. Is there a workaround for this?

Or, is there any chance that ICHARG>9 will be allowed for meta-GGA functionals in the future?

Thanks,

Andrew

Dear Andrew,

At the moment it is not possible to use ICHARG>9 with meta-GGA functionals. It is on our to-do list but I can’t give you an exact timeline yet for when it will be ready.

ok thanks for letting me know