[Wien] A question

yxl at email.jlu.edu.cn yxl at email.jlu.edu.cn
Mon Mar 6 13:01:57 CET 2006


Dear all,
 I'm puzzling about a question, when we have finished a scf, how to decide the valence of an atom. In the process of finding the answer, I'm in another puzzle, In case.scf there is 
CHA0XX:   and  CTO0XX:
What is the difference between them .I have searched the userguide ,but it can't help me.
I'm waiting for an answer to my two questions.
Thank you !
Best wishes.
yours sincerely,
hongxia


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