MP Advanced correction

Hi pymatgen admin,

I have a question about the MP advanced correction (GGA/ GGA+U mixing)
If I understand correctly, all the fitting info is in this yaml file

But I am confused what exactly is “BURP” value and where does it comes from? Especially the fitting for Ni seems based on the “burp version”?

Can you provide a reference for this?


BURP (Bosch Umicore Research Project) is the old values based on the MIT high-throughput project. That was fitted in 2011 or before. It is just for reference. It is used with the MIT input sets. THe pseudopotentials are different.

Thanks for the quick reply!
So I guess only for Ni, the BURP value is still used (not just kept for reference)?

I can’t remember. I think we kept Ni because the PSP was the same and I don’t trust the expt data on the NI oxides.