How to run proton conductivity in CP2K

Samuel Andermatt samuel.a... at student.ethz.ch
Tue Apr 7 11:07:38 CEST 2015


I would assume that you can calculate the proton conductivity if you do an 
MD simulation and then analyze the trajectories of the protons. Probably  
you might want to do the MDs under an external electric field.
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