CCL: ADF - error
- From: simon <spierre+/-few.vu.nl>
- Subject: CCL: ADF - error
- Date: Mon, 19 Mar 2007 17:17:22 +0100
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,
Kalaiselvan> To recover the email address of the author of the
message, please
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