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[bernard amadon <bernard.amadon@cea.fr>]

Dear Ganesh,

The occupation matrix is in the basis of real spherical harmonics Slm,as 
mentionned by Marc Torrent in a recent message.
Their are ordered by increasing m, and are defined by

http://www1.elsevier.com/homepage/saa/eccc3/paper48/eccc3.html.

Best regards
Bernard 


PGanesh a écrit :
> Hi All,
>
> Does anyone know how the Occ. matrix for the d-orbital is labeled, say 
> when we do LDA+U calculation? Is it t2g and eg or eg and t2g ?
>
> Thanks,
> Ganesh

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Bernard Amadon 
CEA
Bruyères-le-Châtel
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