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-hau...@univ-rennes1.fr
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