Hello,
Is there a way that I can calculate a specific bond energy between two atoms in a large bulk material? I am trying to find a correlation between atom charge and bond strength and am having difficulty figuring out how to determine the bond energy.
Bond Energy Calculation
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ttauer
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Bond Energy Calculation
Last edited by ttauer on Thu Mar 04, 2010 8:33 pm, edited 1 time in total.
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support_vasp
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Re: Bond Energy Calculation
Hi,
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