Best model for predicting formation or system energies for metallic BCC systems?

[Gaurav-Arora-MatSci]

Hi
I am new to using publicly available MLIPs, but I wanted to try the latest oMOL model. I tried "esen_sm_direct_all.pt" and "esen_sm_conserving_all.pt" to predict the system energies of my interest, but the energies are way off and trend as well compared to DFT. Can someone point me in the right direction on what model to use and how to use it?

[wood-b]

Hi @Gaurav-Arora-MatSci, try UMA with the OMat task, that will likely be better for the systems you are describing.

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