CCL: ADF - error



 Sent to CCL by: simon [spierre.:.few.vu.nl]
 Hi,
 
May be you can try to use the analytical frequencies that are implemented in ADF 2006.
 The keyblock is:
 ANALYTICALFREQ
 END
 
Just put this block in a single point calculation or in your geometry optimization.
 See S. Wolffe (2005) Int J Quantum Chem 104:645 or www.scm.com
 Greetings,
 Simon
 
On Mar 19, 2007, at 16:12, Kalaiselvan Anbarasan kalaianbaccl ~ gmail.com wrote:
 
 Sent to CCL by: "Kalaiselvan  Anbarasan" [kalaianbaccl---gmail.com]
 Hello,
 
In ADF, during the numerical frequency calculation after few geometry updates i got the error as MakeAOIndex.
 Can anyone suggest me, the type of error and how to overcome it.
 Thank you in advance,
 
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