> >> (neither for scf - nor for nscf - calculations) or in the out files >> of PP codes (dos.x and projwfc.x.). >> How can I find this value? > Using dos.x, you can obtain the Ef value by using its definition basing > on number occupied electrons, but, in my opinion, this way is not such > accurate.
Can someone comment on that? I would say that, based on the fact that dos.x is run after an nscf calculation where a very dense grid in k space is used, this should be more accurate than other approaches. giovanni -- Giovanni Cantele, PhD CNR-SPIN and Dipartimento di Scienze Fisiche Universita' di Napoli "Federico II" Complesso Universitario M. S. Angelo - Ed. 6 Via Cintia, I-80126, Napoli, Italy Phone: +39 081 676910 - Fax: +39 081 676346 Skype contact: giocan74 ResearcherID: http://www.researcherid.com/rid/A-1951-2009 Web page: http://people.na.infn.it/~cantele http://www.nanomat.unina.it
