[QE-users] Enquiry about the Error with both Spin Orbit Coupling and LDA+U included

[Kenan Song]

Dear All,

I would like to make an enquiry. My system is antiferromagnetic and the
spin orbit coupling coupling effect is quite strong. Furthermore, I also
have *d*-shell electrons inside the system.

Therefore, I need to use LDA+U correction on the *d* electron in the
non-collinear calculation and set up the magnetism for the system. However,
Quantum Espresso code responded to me with an error message below.

%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine force_hub (1):
      forces in full LDA+U scheme are not yet implemented
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

Does it mean that Quantum Espresso code cannot work with both spin orbit
coupling and LDA+U included case?

Any answer would be appreciated.

Kind regards,

Kieran

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