In this mail group,Mr. Fonseca said that all I need is to generate self-energy potential and add it to Zn elements pseudofile. There are calculations in Ferreira's articles but I do not know how I represent dft-1/2 parameters such as power index and strip. Could you give me a sample inp file for dft-1/2 or at least an explanation? Thank you.
-- SIESTA is supported by the Spanish Research Agency (AEI) and by the European H2020 MaX Centre of Excellence (http://www.max-centre.eu/)
