Dear VASP support team,
in two recent publications, Ryosuke Jinnouchi et al. calculated the redox potentials of transition metal ions such as Fe2+ and Ag+ in an aqueous environment. All the used atomic models have a net charge, which was probably set by the directive NELECT. The net charge was compensated with a background charge. I wonder which correction was used to prevent the spurious long range Coulomb interactions between charged species and their periodic copies. Unfortunately, nothing related to the latter is mentioned in both publications.
Nonetheless, which charge correction would make sense in case of atomic models for fluids? The Freysoldt–Neugebauer–Van de Walle (FNV) correction, the Kumagai–Oba correction, the Makov–Payne correction, or the Coulomb kernel truncation approach?
Thanks.
René