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

[Stefano Baroni]

AI??? OMG!!!

--
Stefano Baroni, Trieste -- swift message written and sent on the go

> Il giorno 12 ago 2025, alle ore 09:52, Barsha Pal <barsha.pal at aus.ac.in> ha scritto:
> 
> 
> 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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