Dear ADF users,
Ref.1, p.947: "Analytical second derivatives... become available (in the
export version of the package) as a separate program..."
Unfortunately I didn't manage to find anything about analytical second
derivatives in the ADF documentation and at www.scm.com.
Where I can find more information about that mystical program.
[1] G. Te Velde et al, Chemistry with ADF. J. Comp. Chem. 22 (2001) N9,
931--976
With the best regards,
Andrey.
----------------------------------------
Andrey Tutukin,
Ph.D student at the University of Oslo.
Received on 2002-02-18 11:33:06
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