[QE-users] Question about adsorption energy

[Malathe Khalil]

Dear All,
How can I find the mean absolute deviation (MAD), the mean absolute
percentage deviation (MAPD) and the maximal deviation (MAX) in quantum
espresso for adsorption energy values.

This paper is a reference :
Molecular adsorption at Pt(111). How accurate are DFT functionals?

Thanks
Malathe
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