[Wien] partial charge density distribution

[TSUCHIURA Hiroki]

Dear Wien users:

Hi, I'm trying to calculate the 4f charge density distributions 
inside MT-spheres. The following Q&A shows a way to do it, but
I could not find out how to carry out "use lapw2 in a way as
it is done in runeece_lapw". 
I would be very happy if you would give some more explanation.

Best regards,
Hiroki

> -----Original Message-----
> From: wien-bounces at zeus.theochem.tuwien.ac.at
> [mailto:wien-bounces at zeus.theochem.tuwien.ac.at] On Behalf Of Peter
> Blaha
> Sent: Wednesday, March 12, 2008 10:23 PM
> To: A Mailing list for WIEN2k users
> Subject: Re: [Wien] partial charge density distribution
> 
> 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.
> >
> > _______________________________________________
> > Wien mailing list
> > Wien at zeus.theochem.tuwien.ac.at
> > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> 
> --
> 
>                                        P.Blaha
> -------------------------------------------------------------------
> -------
> 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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