I'm wanting to look at individual exchange and correlation energy contributions to Exc. Some codes break these apart by default (such as MOLPRO), but ABINIT doesn't appear to do this.
Is there a keyword to do this in ABINIT?
splitting of e_xc into e_x and e_c
Moderator: bguster
Re: splitting of e_xc into e_x and e_c
Hello,
no, unfortunately this is not possible in abinit. It's a good idea and useful, but the x and c parts are calculated simultaneously and output as a single term.
Matthieu
no, unfortunately this is not possible in abinit. It's a good idea and useful, but the x and c parts are calculated simultaneously and output as a single term.
Matthieu
Matthieu Verstraete
University of Liege, Belgium
University of Liege, Belgium