[CPMD-list] bond energy

tangxin at student.dlut.edu.cn tangxin at student.dlut.edu.cn
Thu Mar 18 09:12:31 CET 2004


Dear all:
  I am new to CPMD.
  I want to know whether CPMD code can calculate the bond energy.
  If it can do it ,which keyword should I use?

 thanks
  Xin Tang 

-------------------------------------------------
»¶Ó­Ê¹ÓôóÁ¬Àí¹¤´óѧwebÓʼþϵͳ: http://mail.dlut.edu.cn



More information about the CPMD-list mailing list