From owner-chemistry #at# ccl.net Sat Apr  4 22:07:01 2009
From: "Janjua Ramzan Saeed dr_janjua2010_-_yahoo.com" <owner-chemistry=-=server.ccl.net>
To: CCL
Subject: CCL: More iterations needed. NOT CONVERGED
Message-Id: <-39010-090404214830-27109-lyMXarAeT178SMbS3XKKkg=-=server.ccl.net>
X-Original-From: "Janjua  Ramzan Saeed" <dr_janjua2010{=}yahoo.com>
Date: Sat, 4 Apr 2009 21:48:26 -0400


Sent to CCL by: "Janjua  Ramzan Saeed" [dr_janjua2010[*]yahoo.com]
Dear Colleagues,
I have included following key words in ADF in-put file;
Geometry
   ITERATIONS  100
End

scf
 iterations 180
end

But following message appears in ADF out-put file: 

More iterations needed. NOT CONVERGED
remark: FIT not very accurate
*** WARNING: BAD FIT ***
SCF NOT COMPLETELY CONVERGED
STOP GEOMETRY ITERATIONS
GEOMETRY DID NOT CONVERGE
NORMAL TERMINATION
END

What should I do any suggestion Please?
Thanks in anticipation!

Janjua PhD Scholar at NENU China