ABINIT Overview and focus on selected capabilities The
nbsp 0183 32 To achieve an accurate description of positron densities and wavefunctions it is often necessary to include semicore electrons in the PAW dataset 53 53 J Wiktor G Jomard and M Torrent Two component density functional theory within the projector augmented wave approach Accurate and self consistent computations of positron lifetimes and momentum distributions Phys Rev B 92