[Pw_forum] LDA+U problem

[Jiajie Zhu]

Hello,

I meet problems with error message "Error in routine offset_atom_wfc (48): wrong offset", when I try to do a LDA+U calculation. My system consists of W Se and Eu atoms and I apply U on Eu atom with following tags in &SYSTEM:

lda_plus_u=.TURE.
lda_plus_u_kind=0
Hubbard_U(3) = 6.0  (Eu is the 3rd species)

Anyone knows the solution?

Thx

Jiajie Zhu


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