Hello,
In VASP 4.6.36, can geometry optimization calculations and the Nudged Elastic Band method be implemented in the presence of an external electric field? I would like to study the effect of an electric field on the adsorption energy and dissociation barrier in a molecule-metal system.
In advance, thank you for your help.
Sharani
Effect of External Electric Field on Equilibrium Geometries and Dissociation Barriers.
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Sharani
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Effect of External Electric Field on Equilibrium Geometries and Dissociation Barriers.
Last edited by Sharani on Thu Jul 29, 2010 7:06 pm, edited 1 time in total.
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support_vasp
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Re: Effect of External Electric Field on Equilibrium Geometries and Dissociation Barriers.
Hi,
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