[Pw_forum] mixing pseudopotentials using virtual.x

da wang njuwangda at gmail.com
Thu May 19 14:59:37 CEST 2011


Dear all:

I have met a problem when I used virtual.x to mix pseudopotentials of O
and F (http://www.quantum-espresso.org/pseudo/1.3/UPF/O.pbe-van_ak.UPF,
http://www.quantum-espresso.org/pseudo/1.3/UPF/F.pbe-n-van.UPF)

it says:
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     from Virtual : error #         1
     different nqf are not implemented (yet)
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

I want to know how to do it correctly?

Thanks in advance.


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