Dear All,
I learned from the maillist that pure metallic systems do not have IR and Raman
active modes, thereby it's meaningless to calculated IR and Raman spectra for
those systems. However, I am very much interested in molecules adsorbed on
metal surfaces, is it possible to get IR and Raman spectra for molecules/metal
systems through QE calculations?
Best
Jibiao Li
Yangtze Normal University, China
_______________________________________________
Pw_forum mailing list
[email protected]
http://pwscf.org/mailman/listinfo/pw_forum
