[Pw_forum] mixed of Pseudopotentials
say457 at yahoo.co.uk
Mon Jan 7 04:37:14 CET 2013
I am trying to perform a calculation on a system of graphene with germanium and selenium. I have considered the following pseudopotentials,
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.
postgraduate student UPM.
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