[QE-users] Analysis of ".evp" File generated by cp.x code in quantum espresso

[Jayraj Anadani]

Hello QE Community,
I am working on a simulation of metallic liquid, as cp user guide said for
metallic case one need to handle carefully and remove the interaction
between ionic and electronic degrees of freedom. Here, I am attaching the
graph.
Could you tell me if my simulation is going in the right direction? or not ?
I have also mentioned the potential energy, electronic kinetic energy and
also physical total energy in the graph.

Which types of energy should go away from physical total energy ?
[image: 1.png]

thank you

regards
Jayraj Anadani
Phd Scholar
SPU
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