[DFTB-Plus-User] simulation of infrared spectrum
Duo SONG
fzdsong at gmail.com
Fri Jan 15 04:50:30 CET 2010
Dear all dftb-plus users,
How are you? I have questions for you. Can dftb-plus be used to simulate
infrared spectrum? And how can the data in detailed.out be used?
Thank you very much. I will appreciate any answers you offer.
Best wishes,
Duo
--
SONG Duo
Undergraduate Student
Department of Materials Science and Engineering
University of Science and Technology of China
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://mailman.zfn.uni-bremen.de/pipermail/dftb-plus-user/attachments/20100115/f38e5a7c/attachment.htm>
More information about the DFTB-Plus-User
mailing list