[QE-users] Doing BOMD using cp.x by taking cg method OR cpmd using thermostate

[Jayraj Anadani]

Hello QE community,
What is the difference between BOMD using pw.x code and cp.x code ?
and as cp user guide said, cpmd is not working for metal in some case
because of the adiabaticity is not maintained and a steady increase of the
fictitious kinetic energy will occur. However, we can still maintain that
by importing thermostats on electrons and ions simultaneously. but in my
case it didn't work for metallic glass simulation so my question is
Which method is best to study quenching and heating of a metallic system ?

thanks
regards

JAYRAJ ANADANI
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