Subject: ADF question

From: Donghai Sun <[email-masked]>
Date: Thu, 9 Aug 2001 14:27:29 -0700 (MST)

hi, how to visualize the frequency by Molekel from the output file from 
ADF? Now i am using ADF through NCSA and get the standard output of it. 
Since i tried Gaussian and could visualize the frequency from it but 
failed in ADF. Does anybody may give me a hand on this? 

Also, when i use the Linear transit method to get the initial guess for 
geometry optimization calculation, sometimes i get decent result from the 
linear transit method but sometimes i fail. Does somebody may do me a 
favor on the way to make reasonable guess for cluster, like 
ZCuNO2H2NH...? 

Thanks you very much!

donghai

Donghai Sun
Department of Bio, Chemical and Materials Engineering
Arizona State University
Tel: 480-965-8509 (O) (FAX)
     480-446-8666 (H)
Email: [email-masked]