Subject: summary: restarting a transition state search

From: Gerry Tanoury <[email-masked]>
Date: Mon, 31 Jul 2000 14:51:05 -0400

Dear CCLers:
	Approximately a week ago, I inquired about some difficulties I had
when attempting to restart a TS search from a .chk file on G98W at a
specific step.  I recieved six responses within 2 hrs of my request being
sent!  Nearly all the responses instructed me to remove the Z-matrix before
resubmitting.  When I tried that, I got a "consistency failure: NVar= 205
MaxSV= 102  Left= 42296  ICheck=84432  LenOG= 84551." error message.
However, I was able to solve the problem by a rather circuitous route:
	Convert the .chk file at step=10 to a .gjf using the newZmat utility
	Open the new file with GaussView for Windows.
	Submit this new structure with the opt=calcfc keyword.
This did work, and a transition structure was located.

Special thanks to those who responded so quickly:

Uwe Richter
Steven Bachrach
Tim Jödicke
Tanja van Mourik
Dave Shobe
Sue Kong
Krzysztof Radacki
Laurence Cuffe
Huajun Fan

Gerald J. Tanoury
[email-masked]