[CPMD-list] Pair Diistribution function calculation

[N. Jiten Singh]

Could anybody tell if it is possible to calculate Pair Distribution function between a Wannier center and atoms in the system during the CPMD dynamics run. 

If not possible, how could I do that. It would be highly appreciated if someone could provide me the code of doing the same.

Thanking in advance,

Jiten

N. Jiten Singh
Center for Superfunctional Materials
Department of Chemistry
Pohang University of Science and Technology
San 31, Hyojadong, Namgu
Pohang 790-784, Korea
Phone : 82-54-279-5853 ( Lab )
Fax : 82-54-279-8137 (or +82-54-279-3399) 
Web : http://csm.postech.ac.kr/ and http://www.postech.ac.kr/e