ABINIT Discussion Forums

There are several pseudopotential generators freely available but APE is interfaced with libxc hence it uses the same implementation for the meta-GGA vxc as the one employed in Abinit. I would say that APE is highly recommended if you want to perform meta-GGA calculations with Abinit. Did you check...

Dear abinit developers and users, I want to use metagga-TB09 to calculate the band structure of semiconductor. I generated the PAW pseudopotential using ATOMPAW together with LIBXC, but when i started running the calculation, the error " When usekden is non-zero, it is not possible to use pseud...