[Wien] decomposition

[Peter Blaha]

You cannot. 
It would not make sense.
Because of this special symmetry, the dxz and the dyz orbitals MUST be the 
same. Thus the program gives you the sum of both (and of course dxz or dyz 
would be just half of it.
> Dear all,
> When I use isplit= -2, I get decomposition of V-d-orbitals into dz2, dx2-y2, dxy, dxz+dyz. How can I get dxz-dyz?
> Regards,
> Igor
> 


                                      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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