Material project

[Steven_Hartman]

Check the POTCARs also, not many people still have a copy of the older POTCARs used by MP.

Why are the total energy values different between my calculation and MP data?

I calculated for Sn (mp-117) using VASP 6.2.0 version. However, my calculations(3.83eV/atom) and MP data (-4.01eV/atom) were different. (MP is materialsproject) I want to use Sn energy of my calculation as a reference element, but I doubt whether it can be used due to the large difference (0.18 eV/atom) in energy value with MP data. Please advice from seniors. Thank you. My calculation environment is as follows. POSCAR = MP INCAR = MP (Only ISMEAR changed from -5 to 1.) KPOINTS = MP …