[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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://www.democritos.it/pipermail/pw_forum/attachments/20080603/67c7c11e/attachment.htm 


More information about the Pw_forum mailing list