[DFTB-Plus-User] Frequency intensity calculations

Hongxin Yang hongxin.yang.spintec at gmail.com
Thu Apr 4 04:21:38 CEST 2013

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

Thanks a lot in advance!


Hongxin YANG
CSIRO's Office of the Chief Executive Postdoc Fellow
CSIRO, Materials Science and Engineering
343 Royal Pde, Parkville, VIC, 3052, Australia
Tel:   +61 (03) 9662 7105
FAX: +61 (03) 9662 7145
Email: hongxin.yang at csiro.au
          hongxin.yang.spintec at gmail.com
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