CCL: Frequencies + intensities (IR, Raman)

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, polarizability and the like.
George Fitzgerald, Ph.D.       gxf!=!
Accelrys, Inc.                             Tel:  +1 858 799 5360
10188 Telesis Court                 Fax: +1 858 799 5100
Suite 100                                     Mobile: +1 858 692 8722
San Diego, CA 92121

"BOUYER Frédéric 153746 FB153746]-[ATIL.CEA.FR" <owner-chemistry!=!>
Sent by: owner-chemistry!=!

10/27/2005 04:48 AM

Please respond to
"CCL Subscribers" <chemistry!=!>

"Fitzgerald, George " <gxf!=!>
CCL: Frequencies + intensities (IR, Raman)

Dear CCLers,
I would like to know if there is software that can calculate frequencies (phonons) of solids AND intensities (IR and Raman).
Many thanks to let me known if those software exist.
With best regards,

Click here to report this email as spam.