From owner-chemistry@ccl.net Thu Jul 31 11:05:00 2008
From: "neeraj misra neerajmisra=-=hotmail.com" <owner-chemistry||server.ccl.net>
To: CCL
Subject: CCL: frequency calculations
Message-Id: <-37468-080731110306-856-cnNZFYUuqBtatJ7BIzaqNw||server.ccl.net>
X-Original-From: "neeraj  misra" <neerajmisra++hotmail.com>
Date: Thu, 31 Jul 2008 11:03:02 -0400


Sent to CCL by: "neeraj  misra" [neerajmisra##hotmail.com]
I SHALL BE VERY THANKFUL IF ANYONE OF THE CCLERS WHO HAVE EVER CALCULATED THE VIBRATIONAL FREQUENCIES USING THE SIESTA PACKAGE, TELL ME HOW TO GET THE FREQUENCIES USING SIESTA.I AM WORKING ON A BIOMOLECULE HAVING 22 ATOMS.

THANKS IN ADVANCE