[ase-users] Check convergence by ploting force, energy and stress
Manuel Benavent
manuelpereirab at outlook.com
Thu Oct 8 10:26:00 CEST 2020
Dear ASE user
I've been looking for a way to plot the convergence of relevant parameters such as energy, forces and stress of a geometry optimization using CASTEP.
Can you please point me to documentation that could help me plotting such parameters? Or provide a script that you use for such thing.
Thanks
Manuel
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