Subject: Re: Question regarding Gaussian warnings and output file tags

From: Konstantin Kudin <konstantin_kudin..at..yahoo.com>
Date: Sat, 1 May 2004 12:17:58 -0700 (PDT)

Douglas Sievers wrote:

> As all users of Gaussian know, the output files are usually full of
> cryptic phrases, such as the following ...
 
 Those "cryptic" phrases are probably not meant for the end users, but rather
for those developing and debugging new code. And in most cases there should be
no harm in not knowing what those phrases mean if you're the end user.

 In any event, the message "EnCoef did X forward-backward iterations" relates
to the constrained optimization within EDIIS which is a robust SCF convergence
algorithm {J. Chem. Phys. 116, 8255 (2002)}
 http://dx.doi.org/10.1063/1.1470195

 Regards,
 Konstantin

		
__________________________________
Do you Yahoo!?
Win a $20,000 Career Makeover at Yahoo! HotJobs  
http://hotjobs.sweepstakes.yahoo.com/careermakeover