[Wien] where can I find the Exc value in Wien2k output

[Peter Blaha]

E-xc is not calculated alone in WIEN2k, but in a combination of rho * V 
integrals.
You would need to modify energy.f of SRC_lapw0

Hong Jiang schrieb:
> Dear Wien2kers,
> It may be a trivial question:   where can I find the 
> exchange-correlation energy (not the potential) in the WIEN2k output files?
> If it is not written to any output files, since it is certainly 
> calculated in  the code, which subroutine should I  modify in order to 
> get its value?
> 
> Thank you very much!
>     Hong
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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
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Email: blaha at theochem.tuwien.ac.at    WWW: 
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