[Pw_forum] About vibriational spectra

Clark Lee jibiaoli at gmail.com
Wed Dec 26 03:31:35 CET 2007

Dear all,
How can i obtain a vibriational spectra (e.g. water on Pd) from ab initio
molecular dynamics simulations on the basis of the velocity-velocity
correlation functions. Thank you!
Yours sincerely,

Clark Lee

State Key Lab of Corrosion and Protection (SKLCP)
Institute of Metal Research (IMR)
Chinese Academy of Sciences (CAS), China
Phone: 024-23925323
Email: jibiaoli at gmail.com
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