[Wien] Exchange-correlation energy

[Peter Blaha]

Not in the official version, because the E-totcontributions of Coulomb-
double counting (Veff) and Exc are added BEFORE integration.

It requires some modifications in xcpot3, energy and vxclm2

jiang at fhi-berlin.mpg.de schrieb:
> Dear Prof. Blaha and wien2k users,
> Is the exchange-correlation energy explicitly calculated in the wien2k
> package?  If yes, could you tell me where it is calculated so that I can
> add a "print" statement to get its value? Thank you very much in advance!
> 
> Best regards,
>    Hong Jiang
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> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
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                                       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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