[Wien] Could I select the kinetic, coulomb and exchange parts
from one eigenvalue?
Peter Blaha
pblaha at zeus.theochem.tuwien.ac.at
Tue Jan 25 08:49:55 CET 2005
Even when you repeat your question several times, I doubt that anybody
understands your request. At least, I do not know what exactly you want to
know.
> I want to get the kinetic part,coulomb potential part and exchange correlation part from the total eigenvalues.
> such as the valence max of Gamma point. Who can tell me how to do it?
>
> Best wish to you!
>
> Yonghua
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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