[Pw_forum] FD PHonon-package

Tobias Kloeffel tobias.kloeffel at fau.de
Tue Sep 15 18:39:51 CEST 2015


Hi,

I would like to use FD for phonon/IR/RAMAN calculations. Unfortunately 
the only example included in the FD package is only calculating the 
IFCs. Is there an example how to use fd_ef.x?

Kind regards,
Tobias Kloeffel

-- 
M.Sc. Tobias Klöffel
=======================================================
Interdisciplinary Center for Molecular Materials (ICMM)
and Computer-Chemistry-Center (CCC)
Department Chemie und Pharmazie
Friedrich-Alexander-Universität Erlangen-Nürnberg
Nägelsbachstr. 25
D-91052 Erlangen, Germany

Room: 2.307
Phone: +49 (0) 9131 / 85 - 20421
Fax: +49 (0) 9131 / 85 - 26565

=======================================================

E-mail: tobias.kloeffel at fau.de




More information about the users mailing list