[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
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