[Wien] how to decompose the f state into m= -3, -2, -1, 0, 1,2,3.

[Yushan Wang]

Dear DR. Blaha,
can you make a detailed description about how to decompose the f orbotal.
I try according to what you told me, but I am really too stupid to handle
it.

thanks.
yushan

On Mon, 1 Nov 2004, Peter Blaha wrote:

> >  who can give some advices about how to decompose f state into m=-3, -2,
> > -1, 0, 1, 2, 3.
>
> It is not implemented in lapw2. However, try the program   qtl  which can
> also create a "qtl" file for a user-defined decomposition.
> (there are some input templates in SRC_templates, but you may need to
> tailor it)
>
>                                       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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