Dear all. I am trying to perform a calculation on a system of graphene with germanium and selenium. I have considered the following pseudopotentials, ????? C.pbe-rrkjus.UPF ? ? ? Ge.pbe-kjpaw.UPF
????? Se.pbe-van.UPF for each but I'm not much sure whether this combinations can work perfectly or not, because the exchange-correlation functional are the same,but different pseudopotentials name. I thought of having same name i.e,? rrkjus.UPF for all. Thank you. Shamsu Abubakar postgraduate student UPM. -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20130107/7fe280d1/attachment-0001.html
