Dear siesta users: Semiconductor quantum dots are passivated with pseudo hydrogens to mimic ligands. I have used pseudo hydrogens to passivate CdSe QDs when I ran VASP calculations, in which different pseudopotentials are used for pseudo hydrogens passivating anions and cations on the surface. I am wondering how does siesta handle a surface with both types of species?
Looking forward to hearing from you. Mogus
-- SIESTA is supported by the Spanish Research Agency (AEI) and by the European H2020 MaX Centre of Excellence (http://www.max-centre.eu/)
