[CPMD-list] Box type for isolated charge system

[Jiten]

Dear CPMD users,

Could anyone suggest me what box type is most suitable for dealing with isolated (and centered) charged clusters. 

I put about 4.5 angstrom gap between the outermost atom and surface of the box - will it be sufficient to have zero charge on the box surface?

Thanks in advance.

N. Jiten Singh
C/O Prof. Kwang S. Kim
Department of Chemistry
Pohang University of Science and Technology
San 31, Hyojadong, Namgu
Pohang 790-784, Korea
Phone : 82-54-279-5853 ( Lab ) / 279-4138 ( Appt )
Fax : 82-54-279-8137 (or +82-54-279-3399) 
Web : http://csm.postech.ac.kr/ and http://www.postech.ac.kr/e
Home Page : http://www.geocities.com/njs_19
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