Main part of periodic table
Pseudopotentials are developed to model the interactions between core electrons and valence electrons. Today, in addition to the traditional norm-conserving formalism, numerous other types have been well-developed, including ultrasoft and PAW pseudopotentials. However, due to the non-uniqueness in pseudopotential parameterization, a variety of pseudopotential sets are generated for different specific purposes, even within the same framework. At APNS, we currently test only norm-conserving pseudopotentials, though ABACUS has recently begun to support ultrasoft pseudopotentials in plane-wave calculations. For additional testing of ultrasoft pseudopotentials, please consult the Standard Solid State Pseudopotential (SSSP) library (link), where Quantum ESPRESSO is employed for testing.
Lanthanide and Actinide
Note: pseudopotentials of Lanthanide and Actinide are not widely investigated in literature presently, use pseudopotentials of these two groups elements with caution.
