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In the last decades, material discovery has been a very active research fielddriven by the need to find new materials for many different applications. Thishas also included materials with heavy elements, beyond the stable isotopes oflead, as most actinides exhibit unique properties that make them useful invarious applications. Furthermore, new heavy elements beyond actinides,collectively referred to as super-heavy elements (SHEs), have been synthesized,filling previously empty space of Mendeleev periodic table. Their chemicalbonding behavior, of academic interest at present, would also benefit ofstate-of-the-art modeling approaches. In particular, in order to performfirst-principles calculations with planewave basis sets, one needscorresponding pseudopotentials. In this work, we present a series of scalar-and fully-relativistic optimized norm-conserving Vanderbilt pseudopotentials(ONCVPs) for thirty-four actinides and super-heavy elements, for threedifferent exchange-correlation functionals (PBE, PBEsol and LDA). Thescalar-relativistic version of these ONCVPs is tested by comparing equations ofstates for crystals, obtained with \textsc{abinit} 9.6, with those obtained byall-electron zeroth-order regular approximation (ZORA) calculations, withoutspin-orbit coupling, performed with the Amsterdam Modeling Suite \textsc{band}code. $\Delta$-Gauge and $\Delta_1$-Gauge indicators are used to validate thesepseudopotentials. This work is a contribution to the PseudoDojo project, inwhich pseudopotentials for the whole periodic table are developed andsystematically tested. The pseudopotential files are available on thePseudoDojo web-interface pseudo-dojo.org in psp8 and UPF2 formats, bothsuitable for \textsc{abinit}, the latter being also suitable for QuantumESPRESSO.

Generating and grading 34 Optimized Norm-Conserving Vanderbilt Pseudopotentials for Actinides and Super Heavy Elements in the PseudoDojo