[CPMD-list] ATOMIC CHARGES

Younes Ansari ara_1357_2416 at yahoo.com
Sat Dec 3 06:19:55 CET 2005


Dear cpmd-list:
          I want to use the keyword ATOMIC CHARGES in my input file .My system contains N,H,C,I . I want to apply some charges to N(+.5) and I(-1). Would you please tell me hoe could I insert it into the input file in &ATOMS section.(It is not clearly defined by cpmd manual.) 

		
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