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by bluexiaobird
Sun Dec 02, 2012 12:11 pm
Forum: VTSTTools
Topic: Model System(175 atoms free to move)
Replies: 0
Views: 14203

Model System(175 atoms free to move)

I read your paper,Comparison of methods for finding saddle points without knowledge of the final states(2004). I'm very interested in the example 175 atoms free to move(http://theory.cm.utexas.edu/henkelman/research/saddle/benchmark.php).
But, in numerical simulation, the dimer method didn't find ...