[molpro-user] explicit fitting basis problem with -f12 methods

[Jason Byrd]

Molpro users,

I am trying to do a proof of concept CCSD(T)-F12 calculation using the 
VTZ basis sets for the Be atom.  Reading through the mailing list, it 
seems that I can do this by defining
ccsd(t)-f12,df_basis=vtz,ri_basis=vtz,df_basis_exch=vtz
However this does not work!  What I get is this:

      Cannot find default basis VTZ for atom Be
      Type=FIT
      Context=JKFIT

      Please specify a default basis or define basis sets for all atoms!


Is it not possible to define a df_basis_exch basis set explicitly?  My 
input is below and attached is my output file:

    *** Be ccsd(t)-f12

    memory,275,M

    basis=vtz

    geometry={
             Be
    }

    hf

    ccsd(t)-f12,df_basis=avtz,ri_basis=vtz,df_basis_exch=vtz

---

Sincerely,
Jason

-- 
Graduate Student
Department of Physics
University of Connecticut U-3046
2152 Hillside Road
Storrs, CT 06269-3046

Office: P209
Tel: 860-486-3484
Email: byrd at phys.uconn.edu

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://www.molpro.net/pipermail/molpro-user/attachments/20091204/043c56a4/attachment.html>
-------------- next part --------------
An embedded and charset-unspecified text was scrubbed...
Name: be-cont.out
URL: <http://www.molpro.net/pipermail/molpro-user/attachments/20091204/043c56a4/attachment.ksh>