CCL:G: Microiterations in ONIOM

From: "Mehmed Zahid Ertem" <mzertem ~~ gmail.com>
Subject: CCL:G: Microiterations in ONIOM
Date: Fri, 15 Sep 2006 12:26:54 -0400

 Sent to CCL by: "Mehmed Zahid Ertem" [mzertem%x%gmail.com]
 Dear CCLers,
 I want to share a problem that I came across during my QMMM optimizations using
 ONIOM keyword implemented in G03. I don't know whether I made a mistake or the
 thing I'm asking is not possible.
 I have done geometry optimizations by using:
  ONIOM(B3LYP/3-21G*:AMBER=softfirst)=embedcharge opt=gdiis
 and observed the microiterations in the .log file. After these optimizations I
 tried to find a transition state by using:
  ONIOM(B3LYP/3-21G*:AMBER=softfirst)=embedcharge
 opt=(ts,noeigen,gdiis,modredundant)
 but faced with a extremely slower advance in computations and also noticed that
 microiterations were not presented in the .log file. Can this (the absence of
 microiterations) be the reason for increased time of calculation or am I missing
 something?
 Thank you in advance,
 Mehmed Zahid ERTEM
 Bogazici University
 Chemistry Department
 MS Student