[Wien] -eece and -hf switch for hybrid functionals

[Peter Blaha]

No, full hybrids are not supported in w2web. You have to use the command line and
follow the procedures indicated in the UG.

Am 12.08.2012 15:52, schrieb ali ghafari:
> Dear Prof. Blaha and users
>
> In the page 68 of UG, it has mentioned that for using hybrid functionals such as B3LYP we should use
> -hf switch while at the w2web only -eece is possible. Could you please tell me when we select -eece switch
> it automatically add -hf switch? or we should only use -hf at the terminal?
>
> Best Regards
> Ali
>
>
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>

-- 
-----------------------------------------
Peter Blaha
Inst. Materials Chemistry, TU Vienna
Getreidemarkt 9, A-1060 Vienna, Austria
Tel: +43-1-5880115671
Fax: +43-1-5880115698
email: pblaha at theochem.tuwien.ac.at
-----------------------------------------