[Pw_forum] Quantum Espresso + Plumed: Metadynamics on Excited States?

Juan Manuel Ortiz Sánchez ortiz.juanmanuel.1982 at gmail.com
Fri Sep 19 02:16:11 CEST 2014


Hi all,

I am interested in running metadynamics using Quantum Espresso patched with
the metadynamics code Plumed.

My question is if Quantum Espresso can tell Plumed to perform the
metadynamics exploration on a Excited Electronic State, rather than on the
Ground State. From what I saw in the documentation, it seems it can't be
done, but I would like some confirmation.

Many thanks in advance!

With best regards,

-- 
Juan Manuel Ortiz Sánchez, Ph. D.
Postdoctoral Researcher, Prof. David Coker's Group
Department of Chemistry
Boston University
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