[Wien] Error in Hub-U calculation

[William Lafargue-dit-Hauret]

Did you try to add "-s lapw1" in your command line dedicated to the 
DFT+U calculation ? Remove any *dmat* files before.

W.


Le 26/06/2018 à 22:46, shaymlal dayananda a écrit :
> Dear William
>
> It is a error (messed up with another case.dayfile ) in the mail when 
> I copy the day file to the mail, other than that , the problem and the 
> errors are the same.
>
> Thank you
> Daya
>
>
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-- 
William LAFARGUE-DIT-HAURET
PhD Student
--------------------------------------------------
Institut des Sciences Chimiques de Rennes UMR 6226
Equipe Chimie Théorique Inorganique
Université de Rennes 1 - Campus de Beaulieu
35042 Rennes, France
Building 10B, Desk 211
Phone: +33 (0)2.23.23.57.91
Email: william.lafargue-dit-hauret at univ-rennes1.fr

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