help, DFT + U affect the parameters of the cell !

[Matthias Krack]

Dear Mohamed khuili,

your problem is not fully clear to me. Do you mean the lattice vectors 
change in a CELL_OPT run compared to plain DFT when you apply DFT+U instead 
of plain DFT?

Best,

Matthias

On Wednesday, 25 June 2014 04:16:28 UTC+2, mohamed khuili wrote:
>
> HelloI am working on the ZnO
> I want to apply DFT + U, but when I see the output file I find that the 
> parameters of the mesh they down, how can I apply the corrections without 
> significantly affect the parameters of the cell obtained by DFT
> thank you very much
>
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