Dear Dr. Bing Wu Wang,

The NBO example
http://www.scm.com/Doc/Doc2004.01/Examples/page70.html

shows how you can use ADF and ADFNBO to generate a FILE47.
FILE47 is an ASCII input file for GENNBO 5.0.
(You might have to copy this file to your home directory in the ADF
run script to prevent its deletion at the end of the run.)

A GENNBO executable is provided in the ADF binary directory,
but needs to be enabled in the license file. The Euro price for a
permanent
GENNBO 5.0 license is 30 Euros. If you already have NBO, you should be
able to use the file "FILE47" generated by ADFNBO immediately.

If you have further questions on this, feel free to contact us at
support_at_scm.com.

Best regards,
Stan van Gisbergen

On Oct 25, 2004, at 6:04 AM, wangbw wrote:

> Dear ADF-users,
>
> I have bought NBO5.0 from Weinhold, so I want to get the input file
> for it using ADF2004.1.
> When I using adfnbo program following the ADF2004 manual, it always
> has the error. How could
> the ADFNBO only generate input file for GENNBO program or using ADFNBO
> to do the NBO analysis solo?
> Thank you veru much.
>
> Regards,
> WangBw

Dr. S.J.A. van Gisbergen      
Scientific Computing & Modelling NV
Theoretical Chemistry, Vrije Universiteit
De Boelelaan 1083
1081 HV Amsterdam
The Netherlands                              
T: +31-20-4447626    
F: +31-20-4447629        
vangisbergen_at_scm.com  
http://www.scm.com
Received on 2004-10-25 08:38:32