[Wien] About eg-t2g

[Peter Blaha]

> There the Wien program provides the DOS with eg-t2g character (l=2 real
> orbitals).
> In the scf calculation it is using spherical harmonics (complex orbitals).
> How does it pass to the d real orbitals?

As always: forming a particular linear combination of the complex +m and -m
functions.

                                      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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