To get total energy for the given structure using pretrained model

[Harpriyaminhas]

Can we get the total energy (eV) of a system using the pre-trained CHGNet model instead of predicting the energy (eV/atom)?

[bowen-bd]

You can multiply by the number of atoms

[janosh]

worth mentioning that that'll give you the MP2020 corrected total energy which CHGNet was trained on. you need to subtract the MP2020 energy corrections to get the raw PBE energy