From owner-chemistry@ccl.net Mon Jan 23 07:31:00 2012
From: "Gregorio Garc a gjgarcia===ujaen.es" <owner-chemistry(_)server.ccl.net>
To: CCL
Subject: CCL: ONIOM approximation and PBC conditions are compatible?
Message-Id: <-46186-120123072710-1798-evSruPNsywUXhpMfYYkt0w(_)server.ccl.net>
X-Original-From: "Gregorio  Garc  a" <gjgarcia|a|ujaen.es>
Date: Mon, 23 Jan 2012 07:27:08 -0500


Sent to CCL by: "Gregorio  Garc  a" [gjgarcia,ujaen.es]
Hi all
I am trying to optimize a system using oniom approximation. This systems has a translaction vector along one direction.
I have the input file with the translaction vector and the high and low layers (there is not chemical bond between both layers). After save this file, in the input file I only see the geometry of my systems for both layer, but not the last line after the geometry which indicates de translaction vector. 

If I try to prepare the input file using Gaussview, I can't select oniom aproximation and PBC at the same time.

Thus, my question is: Can I optimize a periodic system using oniom approximation?

Thanks in advance

Gregorio