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

[Peter Blaha]

>  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
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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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