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Originally posted by guillarte at 2011-04-06 14:44:52:
½ñÌìÔÚÎÄÏ×Öп´µ½ÓÃThe climbing image nudge elastic band (CI-NEB) methedÀ´ÕÒ¹ý¶É̬£¬ºóÀ´ÎÊÒ»¸öʦÐÖ˵ÊÇÅÀÆÂµ¯ÐÔ´ø·½·¨£¬µ«¾ßÌåÄÚÈݲ»ÖªµÀ£¬ÇëÎÊÒ»ÏÂÕâµ½µ×ÊÇʲô·½·¨£¿

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G. Henkelman, B.P. Uberuaga, and H. J¨®nsson, A climbing image nudged elastic band method for finding saddle points and minimum energy paths, J. Chem. Phys. 113, 9901-9904 (2000).
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Originally posted by guillarte at 2011-04-06 14:44:52:
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