Subject: single point: run out of cycle

From: jackie jackson <[email-masked]>
Date: Sun, 23 May 1999 11:57:57 -0700 (PDT)

Hi, Gaussian users,
I'm trying to calculate the single point energy at the same theory
level and a larger basis set from a
previously optimized structure (read from checkpoint
file). However the calculation is ended with "run out of the maximum
cycle" which is specified in the keyword SCF(maxcycle=514). I could not
use "restart".
Could you give a hint on how to get around this?
Thank very much for your help.
Jackie,
Kinetics, Inc.
Lowell, MA
USA

_____________________________________________________________
Do You Yahoo!?
Free instant messaging and more at http://messenger.yahoo.com