[Pw_forum] mixed of Pseudopotentials

Shamsu Abubakar say457 at yahoo.co.uk
Mon Jan 7 04:37:14 CET 2013

Dear all.
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.

Thank you.

Shamsu Abubakar
postgraduate student UPM.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20130107/7fe280d1/attachment.html>

More information about the users mailing list