Material project

I 've download the structure of mayenite from material project website successed.(in[ mp-721592: Ca6Al7O16 (cubic, I-43d, 220) ],chose the file format as VASP) However, I can not get the identical total energy with that shown on MP website, by the inputs given by pymatgen. I also tried the inputs download from MP website and met the same situation. Here are my INCAR I used.

I am wondering that if I downloaded the right or wrong inputs. Could I have the inputs that can give the same total energies as thoses shown on MP website?
Many Thanks,
Zhikun Yao

I can’t see what your result is, but if I had to guess it is because you don’t include corrections. If you look at the bottom of the MP results page for your material of instance you will find this:


You can find details about what the corrections are and why they are applied in the docs: Total energies - Materials Project Documentation

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

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this is my calculation result

(due to I was the new user, I can’t upload the OUTCAR)

the OUTCAR, it is about -7.06eV/atom which is different with -7.08eV/atom(before correction) in MP, and I used the older version POTCAR to calculate.