The largest set of recommended pseudopotentials and PAW data for ABINIT (LDA, PBEsol, and fully relativistic
calculations) is available from the pseudo-dojo web site.
Pseudopotentials for the actinide series and the super-heavy elements, described in “Generating and grading 34 Optimized Norm-Conserving Vanderbilt Pseudopotentials for Actinides and Super Heavy Elements in the PseudoDojo”, Ch. Tantardini, M. Iliaš, M. Giantomassi, A. G. Kvashnin, V. Pershina and X. Gonze, Computer Physics Communications, 295, 109002 (2024) are available from this Github directory. For technical reasons, they have not yet been integrated in the pseudodojo. Pseudopotentials are provided with three different exchange-correlation functionals : PBE (in the top directory), LDA, and PBEsol. Two versions of each pseudopotential are available (for each of the different exchange-correlation functionals PBE, LDA and PBEsol): one scalar relativistic and one fully-relativistic (with spin-orbit coupling). The latter pseudopotential is appended with the _r suffix. The Delta and Delta_1 values provided in the top directory have been obtained with the scalar-relativistic PBE pseudopotentials, who are thus fully validated (sometimes the Delta value is a bit large, though). The other pseudopotentials have not been validated in the same way.
