My Community

Dear VASP community,
Is there a possibility to run mBJ calculation with LEPSILON = .TRUE. for calculating Born effective charges.
the error message indicates that the combination of METAGGA and Linear response is not possible.
Thank you

Hi,

This is unfortunately not possible. The combination of MGGA functionals (including mBJ) with LEPSILON=.TRUE. is not yet implemented, but hopefully it will in some future time.