CCL: Frequencies + intensities (IR, Raman)
- From: George Fitzgerald <gxf() accelrys.com>
- Subject: CCL: Frequencies + intensities (IR, Raman)
- Date: Thu, 27 Oct 2005 14:24:42 -0700
CASTEP will do this in version 4.0,
which will be released at the end of this year.
It already computes phonon frequencies
and some related response properties such as dielectric constants,
and the like.
George Fitzgerald, Ph.D. gxf!=!accelrys.com
Tel: +1 858 799 5360
10188 Telesis Court
Fax: +1 858 799 5100
+1 858 692 8722
San Diego, CA 92121
Sent by: owner-chemistry!=!ccl.net
10/27/2005 04:48 AM
Please respond to
"CCL Subscribers" <chemistry!=!ccl.net>
|"Fitzgerald, George "
|CCL: Frequencies + intensities (IR,
I would like to know if there is software
that can calculate frequencies (phonons) of solids AND intensities (IR
Many thanks to let me known if those software
With best regards,
to report this email as spam.