CCL: ADF Basis Sets

From: "Nuno A. G. Bandeira" <nuno.bandeira() ist.utl.pt>
Subject: CCL: ADF Basis Sets
Date: Thu, 27 Aug 2009 18:28:50 +0200

 Sent to CCL by: "Nuno A. G. Bandeira" [nuno.bandeira__ist.utl.pt]
 Steve George spgeorge{:}ucsd.edu wrote:

 Sent to CCL by: "Steve  George" [spgeorge++ucsd.edu]
 Is it possible to specify different basis sets for
 different atoms in ADF? For instance, how do you code a job where carbon atoms
 use TZ2P and some metal atom used QZ4P?

 Like so:
 BASIS
  C TZ2P/C.1s
  O TZ2P/O.1s
  ...
 END
 --
 Nuno A. G. Bandeira, AMRSC
 Laboratoire de Chimie LR6
 Ecole Normale Superieure de Lyon
 46, Allee d'Italie
 69364 Lyon Cedex 07 - France
 http://cqb.fc.ul.pt/intheochem/nuno.html
 --