[Wien] partial charge density distribution

[Peter Blaha]

A l-decomposition (not lm !) is in principle possible. You have to use the "hybrid-functional" methods,
i.e. use lapw2 in a way as it is done in runeece_lapw. There a "d"-density is calculated.

hortamani schrieb:
> Dear Wien2k users,
> 
> Is it possible to get partial (lm-like) charge density distribution inside MT-sphere?
> I mean, angular momentum decomposition of the
> charge plots in order to see they belong to which orbital. 
> 
> 
> Best regards,
> Mahbube.
> 
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                                       P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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