[Wien] Crystal field splitting

[delamora]

The crystal field splitting depends on the crystal symmetry!!, but for a compound with metallic characteristics the bandwidth will be larger that the field splitting.
________________________________________
De: wien-bounces at zeus.theochem.tuwien.ac.at <wien-bounces at zeus.theochem.tuwien.ac.at> en nombre de Salman Zarrini <salman.zarrini at tu-darmstadt.de>
Enviado: domingo, 02 de noviembre de 2014 04:57 p.m.
Para: wien at zeus.theochem.tuwien.ac.at
Asunto: [Wien] Crystal field splitting

Dear Wien2k users,

I was wondering that how can I find out which kinds of "crystal field
splitting" (Octahedral, Tetrahedral, Pentagonal bipyramidal,...) have
been applied on my bulk metallic structure?

Best regards,

Salman

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