Details of pseudo potential used in materials project

Dear all,

I am trying to estimate the decomposition energy for decorated structures using Pymatgen and MP data as competing phases. In order to have consistent DFT calculations, I followed the website below regarding pseudo potentials:

One thing I noticed is that insufficient information is provided to identify the actual pseudo potential:
(1) there are two sets of pseudo potential provided by VASP (potpaw_PBE and potpaw_PBE_54) but I think it is not specified on the website

(2) the year of the pseudo potential is NOT specified. For example, there are two pseudo potential for Mg_pv (Mg_pv 06Sep2000 and Mg_pv 13Apr2007) and I believed materials project used Mg_pv 06Sep2000.

So the question is: is there any place to find these information?


You can take a look at the MPRelaxSet in pymatgen which uses pseudos keyed as PBE. The mapping for the pseudo keys to the individual files is here: pymatgen/ at 3dd5300bab47a876f250d1c5768b1c157afd4ae4 · materialsproject/pymatgen · GitHub

– Jason