[Pw_forum] GGA+U

S. K. S. sks.jnc at gmail.com
Tue Jul 13 01:04:31 CEST 2010


Dear QE Users,

I got the following error while used GGA+U for EuO:

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     from set_hubbard_l : error #         1
     pseudopotential not yet inserted
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...

Inside source file, I have found that "Eu" is mentioned. However, I do not
understand
the meaning of inserting a pseudopotential.

Thanks in advance for a helpful explanation.

With best regards,

Saha SK
R&D Assistant
JNCASR
Bangalore 560012
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