[CPMD-list] Neutralize the excess charge in CPMD

[Jiten]

Dear CPMD users,

In few limited papers related to CPMD for excess charged systems, it hardly explain about the use of neutalizing the excess charge, a uniform background opposite charge are added to the system. 
 
I look at the CPMD manual as well, there is no section describing this option. 

I am just wondering whenever we do CPMD MD for the charged systems using box type of HOCKNEY Method or TUCKERMAN Method, are we taken cared to neutralize the excess charge.

Could anyone suggest a reference and how can I deal with CPMD related to this.

Sincerely,

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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