Subject: gaussian 98 convergence

From: Dami�n Scherlis <[email-masked]>
Date: Thu, 3 Aug 2000 17:21:46 +0200 (MEST)

Hello.
 I have got problems to converge ROHF
 calculations of some iron complexes with g98.
 (the energy oscillates in 10E-2 a.u.).
 Is there any way of accelerating or forcing
 convergence in ROHF, appart from the VShift option ?
 The QC procedure is not available for ROHF.
 Thanks.

 Damian Scherlis
 Department of Physical Chemistry
 Faculty of Sciences
 Univeristy of Buenos Aires