Subject: convergence failure

From: Pablo Albores <[email-masked]>
Date: Thu, 7 Jun 2001 11:23:41 -0300 (ARST)

Hello, i am running a geometry optimization of an open-shell system with an
unpair electron, that is in principle spin multipliciy = 2.
I try with HF and DFT but the system doesn't converge (I try with 100 cycles).
My starting geometry is experimental (X-ray data).
Any sugerence?.