Pls refer to the Ref. below:
G. Brocks, P.J. Kelly, and R. Car, PRL, 66, 1729 (1991).
how to calculate Potential energy surface?
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Brane
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how to calculate Potential energy surface?
Last edited by Brane on Fri Oct 28, 2005 3:35 am, edited 1 time in total.
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support_vasp
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Re: how to calculate Potential energy surface?
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