help, DFT + U affect the parameters of the cell !
mohamed khuili
khuili... at gmail.com
Sat Jun 28 09:42:39 UTC 2014
Thank you Mr. Matthias
I tried with what you suggested, I got a superior that I
found with DFT Gap.
there is a GGA functional or Meta-GGA or hybrid for oxyde
metal transition, able to play the role of DFT + U and not consome lot of
time?
thank you Matthias
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