[QE-users] ZERO-POINT ENERGY IN QUANTUM ESPRESSO

[Barsha Pal]

Hello,
I have a small doubt regarding whether or not zero-point energy calculation
is possible in Quantum Espresso, I want to perform that for a 2D material
and adsorption cases. The property that I aim, includes the zero-point
energy correction for the 2D surface and the 2D surface with adsorbed
atoms. AI tells me that it is possible to do by phonon calculation. If
indeed this is possible, can you guide me towards a short example?

Thank you.
Ashley Cooper
Phd
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