[QE-users] dft+u+v with spin-orbit

[Aleksandra Oranskaia]

Dear users and developers,

Is it technically possible to mk calculations for dft+u+v accounting for
spin-orbit coupling (using qe-6.7 compiled for u-correction for l=1)?

Using u and v values obtained by hp.x (with scalar relativistic pseudos)
and these lines (for fully relativistic preudos):
  lda_plus_u = .True.
  lda_plus_u_kind = 2
  U_projection_type = 'ortho-atomic'
  Hubbard_parameters = 'file'
  lspinorb = .true.
  noncolin = .true.
?

I am getting this error (preudos are ok for calculations with no Hubbard
correction, they describe electrons on desired l level):
Error in routine offset_atom_wfc (1):
wrong offset: your pseudopotential file for atomic species 1 likely does
not contain the needed atomic wavefunctions

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