[CPMD-list] Problem about charge!

[Yang Zhenyu]

 Dear CPMD users:

      I get ions in my system. "CHARGE" can only assign charge to the total system.
 While,from manual, I learned that "ATOMIC CHARGES" can give one value per atomic species. But how to give 
 the charge just to one atom or several atoms only, not to one species. And how to write the ATOMIC CHARGES section?

     Any suggestions will appreciated!

	


 				

¡¡¡¡¡¡¡¡¡¡¡¡¡¡
¡¡Best Regards

¡¡Yang Zhenyu				
  State Key Laboratory of Nonlinear Mechanics (LNM)
  Institute of Mechanics, Chinese Academy of Sciences
  No.15 Beisihuanxi Road
  Beijing 100080, P. R. China
  FAX: 010-62579511
¡¡yangzy at lnm.imech.ac.cn
¡¡2005-12-30