[Pw_forum] Vibration Spectrum from QE

Clark Lee jibiaoli at gmail.com
Tue Jun 3 11:07:38 CEST 2008


Hi all,
I am eager to know detailed steps to calculate vibration
spectrum,particularlly, those of supported molecules, from QE.
Has methods of calculating  vibration spectrum implemented in QE? How?

-- 
Yours sincerely,

Jibiao Li

State Key Lab of Corrosion and Protection (SKLCP)
Institute of Metal Research (IMR)
Chinese Academy of Sciences (CAS), China
Email: jibiaoli at gmail.com
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