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: [email protected] _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
