CCL: IR intensities from VASP

From: Ralf Tonner <ralf.tonner:googlemail.com>
Subject: CCL: IR intensities from VASP
Date: Thu, 10 Mar 2011 16:15:05 +0100

 Sent to CCL by: Ralf Tonner [ralf.tonner(!)googlemail.com]
 Dear CCL-members,

in moving from molecular quantum chemistry to surface and solid stateproblems I am investigating vibrational properties of molecular crystalswith VASP.Now I would like to extract the infrared intensities of the respectivemodes but this is unfortunately not given directly.

Is anyone out there with experience in extracting IR intensities fromVASP calculations ?

 Thank you in advance,
 Ralf.
 --
 Dr. Ralf Tonner        <tonner ~ chemie.uni-marburg.de>
 Philipps-Universität Marburg                  GERMANY
 Ph +49-(0)6421-28-25418      Fax +49-(0)6421-28-25566
 http://www.uni-marburg.de/fb15/ag-tonner
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