Subject: about calculating frequency in Dmol3

From: wangyanemail <[email-masked]>
Date: Thu, 15 Nov 2001 10:20:17 +0800

Dear CCLers
 I have a question about calculating frequency  in Dmol3. Now ,when I calculate frequency of a model which is large ,it always calculate all frequency.  It take much time. But I am only interested in a frequency between two atoms, how should I do . Thanks in advance.

            wangyanemail
            [email-masked]