Subject: suggestion for optimizing structures

From: Jianmiao Fan <[email-masked]>
Date: Mon, 30 Jul 2001 09:31:05 +0800 (CST)

Dear CCLers,
   I want to develope my knowledge of structure optimization.
My current work encounted so many problems when doing opt
with g98. I want to know more about methods of searching
minmum with g98. Rational Function Optimization during Berny
optimizions is not suitable for super molecular system that
I am studying. For I got a lot of negative frequencies by
this default method.
   Could any one give me some suggestions on how to develope
my optimization skills? Is there any good book or paper on them?
Thank you very much.

With My Best Regards,

Sincerely yours,
         Jim Fan

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 Fan Jianmiao (Jim Fan)
Department of Chemistry
East Campus,USTC
Hefei,Anhui,230026,P.R.China

Tel:86-551-3654322(dorm)
    86-551-3606640(lab)
E_mail:[email-masked]
Http://boc.ustc.edu.cn

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