Dear SIESTA user's,
I would like to create a pseudopotential with a core-hole to compute the core level shift and the binding energy of my system. I was reading the atom code but there is no way (or I don't know how) to specify a core hole. Also, I found and read two papers ans in one of them there is a footnote 1 "This pseudopotential is constructed reducing the occupation of the core level configuration by one." I would like to know how could be it done. DOI: 10.1140/epjb/e2012-30334-5 DOI;10.1016/j.susc.2013.03.017 Thanks in advance Rubén -- Aunque mi madre no sabía nada de ciencia, también ejerció sobre mí una gran influencia. Yo, un universo de átomos, un átomo en el universo.
-- SIESTA is supported by the Spanish Research Agency (AEI) and by the European H2020 MaX Centre of Excellence (http://www.max-centre.eu/)
