From owner-chemistry@ccl.net Wed Sep  3 07:15:01 2014
From: "Arash Edrisi arashedr(0)student.uef.fi" <owner-chemistry]-[server.ccl.net>
To: CCL
Subject: CCL: Convergence failure
Message-Id: <-50471-140903050608-24152-kL9rNYBxAPqsiWoHq2Pxww]-[server.ccl.net>
X-Original-From: "Arash  Edrisi" <arashedr::student.uef.fi>
Date: Wed, 3 Sep 2014 05:06:06 -0400


Sent to CCL by: "Arash  Edrisi" [arashedr()student.uef.fi]
To whom it may concern,

I am working with organometallic complexes and I want to optimize the structure. But I have a major problem with the optimization of the structures.
I used the keywords below to launch my calculations;

#p opt=(cartesian,maxcyc=200) gen gfoldprint pbe1pbe pop=full pseudo=read scfcyc=2000

However all of the calculations turned to fail and did not converge.
I would be thankful if you will help me.

BR,
Arash