[DFTB-Plus-User] infrared and infrared intensities?

Markus Kaukonen markus.kaukonen at iki.fi
Fri Jan 7 12:53:56 CET 2011


Dear All,

I'd appreciate if someone could give an estimate of the time scale
when the calculation of infrared spectra and infrared intensities is
possible with DFTB+

terveisin, Markus

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