[Pw_forum] LDA+U problem

[Matteo Cococcioni]

Hi,

probably Eu is not in the list of known atoms for the +U functional. Try to
check inside set_hubbard_l and tabd routines.

Best,

Matteo

On Mon, Oct 6, 2014 at 1:53 PM, Jiajie Zhu <Jiajie.Zhu at kaust.edu.sa> wrote:

>  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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