[Wien] Wu-Cohen XC functional

[Peter Blaha]

> I've already downloaded new version WIEN2k_06.4 to test the new Wu-Cohen 
> xc functional
> in bulk Mo. I usually perform calculations through the w2web interface, 
> so at the moment I'm not allowed to
> the select the desired GGA functional in the l start dialog (the option 
> simply doesn't appear).
> How could I overcome this? Which number is linked to the Wu-Cohen xc 
> functional?

After the initialization (with PBE) edit case.in0 and look at the comments 
in this file.

I'll add the WC option to w2web and lstart when time permits.


                                      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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