[Wien] EV GGA

[Peter Blaha]

It is included in WIEN2k.

You cannot select it in lstart, but you have to edit case.in0 after
the initialization.
There are several "options" (15,25,26) with different combinations of exchange and
correlation parts, and you have to look into
SRC_lapw0/vxclm2.f

Note, that total-energies are very bad!

Sergio Yanuen Rodriguez schrieb:
> Dear Wien2k users
> 
> Does any one know if the exchange correlation potential EV GGA is included
> in Wien2k? if so which option number in lstart is this?
> 
> Thanks in advance for any help.
> 
> Sergio Y. Rodriguez
> Physics Department
> Texas A&M University
> 
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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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