<div dir="ltr">Dear Quantum Espresso Users and Developers,<div>I have calculated scf energy for a graphene sheet
and obtained the value -205.39676576 Ry. But this scf energy is not
matching or close to the energy obtained at different steps of MD
simulation. There is a significant deviation in magnitude as well as
energy is positive in case of MD simulation. Could you please tell me
the reason? Ideally this scf energy should mimic the MD simulated
result.</div><div><br></div><div>Thanking you</div><div>Best regards </div><div>Nirmal</div></div>