Hello,
I have a question about the POTCARs that were used to perform GGA calculations (not SCAN) in MP database. I know that PBE (not PBE 52 or 54) and Li_sv is used for MP calculations. However, I found that there are multiple types of Li_sv PBE POTCARS.
What I’ve been using is PAW_PBE Li_sv 23Jan2001, whereas what can be downloaded from VASP website now is PAW_PBE Li_sv 10Sep2004. Both are PBE, not PBE52 or PBE54. Among these two, which POTCAR date is the one being used by MP for GGA calculations?
We find that these two different-dated PBE Li_sv POTCARs result in 10 meV/atom difference for one system we’ve tested, which is quite significant.
Similarly, the following thread reports the same issue on Li_sv POTCARs Mixed POTCARs in database? This thread asks whether different types of Li_sv PBE potcars have been mixed in GGA calculation database of MP. Is this true? Which one does MP use for GGA?
Thank you!