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Gabriel Kotliar edited workflow.tex
over 7 years ago
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Successes include the prediction of a new compounds in the Ce-Ir-In
system~\cite{Fredeman_2011}. Notable failures, include elemental Pu, where non magnetic DFT
calculations underestimates the volume of the $\delta$ phase by more than 25$\%$
while magnetic calculations predict a large magnetic moment ($ 5
{\Mu}_B$ {\mu}_B$ which is not observed experimentally).
Notice however, that in spite of this failure, DFT + orbital polarization can predict the order of the structures.
However, for correlated materials,
we argue that extensions taking into account the effect of correlations on the