Pseudopotentials and PAW datasets for ABINIT
The recommended Pseudopotentials and PAW atomic data present on this page have been carefully tested. Still, they are provided without warranty.
Clicking on a green cell in the periodic tables will give
you a PBE pseudopotential file (for norm-conserving pseudopotential table), or bring you into a directory corresponding to the selected chemical element (for PAW atomic dataset). More recommended choices are available from the pseudo-dojo web site.
The pseudopotentials presented in this page do not cover
all cases for which pseudopotentials or atomic data are available
for ABINIT. If you are looking for atomic densities (core or
full), pseudopotential generators, or pseudopotentials without
non-linear core correction (e.g. for metaGGA), please consult the
Atomic data files page
Norm-conserving pseudopotentials
Current version of the library: ONCVPSP-PBE-PDv0.4
Download the entire dataset table: PBE table
Read more about recommended
norm-conserving pseudopotentials
PAW atomic datasets
The table below provides a direct access to the PAW atomic datasets available on the pseudo-dojo portal
Current version of the library: JTH - v1.1
Download the entire dataset table: LDA
table, PBE table
Read more
about recommended PAW datasets
