[CPMD-list] IR and RDF

[WANG, YIXUAN]

Dear all,

    Two questions need your help.

    1) I failed to find the way to extract radial distribution function
(rdf) from CPMD
manual. Could you tell me how to do this?

    2) I am trying to calculate IR for (salt+ solvent ) system in CPMD
simulation. 
Is it possible to do this with CPMD? If so, please describe it.

Thanks in advance.

Yixuan Wang
Chem. Engineering
Univ. S. Carolina