Iftimie Radu Ion wrote:
>
> Hello,
>
> I am interested in computing B3LYP and meta-GGA (e.g.: using the P-LAP xc functional of Salahub et al.) energies for a series of compounds. Does anybody know if this feature is available or not in adf or if it will be available anytime soon ?

The manual explains how to use the keys METAGGA and HFEXCHANGE.

Only energies are available in ADF not geometry optimisations.

cheers,

-- 
Nuno A. G. Bandeira, AMRSC
Graduate researcher and molecular sculptor
Theoretical and Inorganic Chemistry Group,
Faculty of Science
University of Lisbon - C8 building, Campo Grande,
1749-016 Lisbon,Portugal
http://cqb.fc.ul.pt/intheochem/nuno.html
Doctoral student @ IST,Lisbon
--