[DFTB-Plus-User] Frequency intensity calculations

Bálint Aradi balint.aradi at bccms.uni-bremen.de
Wed Apr 10 16:57:29 CEST 2013

Dear Hongxin,

> Anyone knows how to calculate the vibrational frequency, Raman or IR
> intensity from DFTB+?
> either from MD or from Modes calculations.

We are working on that, I hope it will be available soon.

  Best regards,


Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen

-------------- next part --------------
A non-text attachment was scrubbed...
Name: signature.asc
Type: application/pgp-signature
Size: 261 bytes
Desc: OpenPGP digital signature
URL: <http://www.dftb-plus.info/pipermail/dftb-plus-user/attachments/20130410/ef8e3b32/attachment.pgp>

More information about the DFTB-Plus-User mailing list