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how to calculate Potential energy surface?
https://wiki.vasp.at/viewtopic.php?t=481
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how to calculate Potential energy surface?
Posted:
Fri Oct 28, 2005 3:35 am
by
Brane
Pls refer to the Ref. below:
G. Brocks, P.J. Kelly, and R. Car, PRL, 66, 1729 (1991).