[Pw_forum] g-tensor with ultrasoft pseudopotential

[Jarkko Vähäkangas]

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 Vähäkangas (Ph.D. cand.)
Department of Physics, NMR-group, University of Oulu,
P.O.Box 3000,
FI-90014 UNIVERSITY OF OULU, FINLAND,











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