[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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://www.democritos.it/pipermail/pw_forum/attachments/20100713/ca2b7ad1/attachment.htm
More information about the Pw_forum
mailing list