henry.chermette_at_univ-lyon1.fr wrote:

> in the release 2005.01b it is said that the BP86 shortcut, is added to ADF:
> did you use this release?

The very latest.

> anyway, did you try to specify it in the form
> "energy becke perdew" or "potential becke perdew" instead ?

XC
  GGA PostSCF BP86
  Model SAOP
end

-- 
Nuno A. G. Bandeira, AMRSC
Graduate researcher and molecular sculptor
Inorganic and Theoretical 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
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