Dear ALL, How do I go about this? I am having the flags below and I am performing a relaxation on monoclinic SrIrO3:
*lda_plus_u=.true. lda_plus_u_kind=1,Hubbard_U(1)=3.0 noncolin = .true. lspinorb = .true.* Unfortunately, the code is not happy. I am using versing 6.4.1 of the code. Below is the error *Error in routine force_hub (1): forces in full LDA+U scheme are not yet implemented* Any help? Is there a way I can compute forces in Quantum espresso when Spin Orbit & LDA+U are both activated? James Sifuna The Technical University of Kenya J.
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