Hi all,
I tried to calculate g tensor with ultrasoft GIPAW pseudo potential (PBE) with
QE 5.0.2 and GIPAW. I got following:
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Error in routine gipaw_main (1):
g_tensor not available with ultrasoft
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
So, is it so that norm conserving way is the only one for g thus far? If is,
why and would it be doable with ultrasoft?
thanks and regards, Jarkko
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Jarkko V?h?kangas (Ph.D. cand.)
Department of Physics, NMR-group, University of Oulu,
P.O.Box 3000,
FI-90014 UNIVERSITY OF OULU, FINLAND,
-------------- next part --------------
An HTML attachment was scrubbed...
URL:
http://pwscf.org/pipermail/pw_forum/attachments/20130122/65db8e60/attachment.html
