[QE-users] PLUMED with Quantum ESPRESSO

Phillips Hutchison phillips.hutchison at yale.edu
Thu Feb 10 14:55:10 CET 2022


Hi,

I’m attempting to run meta dynamics with the constant potential BOMD. I’m wondering if there is a way to interface newer versions of PLUMED (v2.x) with the current version of QE (v7.0) or if an older version of QE can be enabled to run the fictitious charged particle BOMD with PLUMED v1.3, such as QE v6.5? Otherwise, is there a preferred code to interface with QE to run meta dynamics?

Best,
Phillips Hutchison
NSF Graduate Research Fellow
Hammes-Schiffer Group
Yale University


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