Subject: convergence criteria for IRC in G98 A.11

From: skpang/at/ctimail.com
Date: Wed, 23 Feb 2005 17:34:11 +0800 (HKT)

Dear all,

Why the convergence criteria of MAX/RMS Force and MAX/RMS Displacement
for IRC are less tight than those for ground state and transition state
geometry optimization when G98 A.11 is used?

Is the intermediate searched by IRC valid when those convergence
criteria are less tight?

Best regards,

Patrick

skpang/at/ctimail.com