Dear Siesta users, How can I calculate ionization potential (vertical and adiabatic) and electron affinities (vertical and adiabatic) using siesta (GGA) of a molecule.
Thank you! Koussai LAZAAR
Dear Siesta users, How can I calculate ionization potential (vertical and adiabatic) and electron affinities (vertical and adiabatic) using siesta (GGA) of a molecule.
Thank you! Koussai LAZAAR