[Wien] NAN in outmat

[Chukwuemeka Okoye]

Dear Torsten,
 
 
Thank you for your response. I am using P4, Intel. I have tried to recompile optic with option -O0 as you suggested but I still have the problem of NAN in outmat.
What is worrisome is that it gives results for one compound and NAN for another .
 
Your help will be appreciated.
 
Emeka



Chukwuemeka M. I. Okoye,

Department of Physics and Astronomy,

University of Nigeria,Nsukka,

Enugu State,NIGERIA

234-042-771611


---------------------------------
Do you Yahoo!?
Yahoo! SiteBuilder - Free, easy-to-use web site design software
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20030901/c9c33681/attachment.html