[Wien] Mismatch in the Fermi level between Wien2K open core calculations and VASP

[Anup Shakya]

Dear Prof. Blaha,

I have plotted both the band structure and the DOS in Rydberg and they
match very nicely with each other. Regarding the comparison with the
reported DOS and band structure one needs to give some shift to the Fermi
level so that it matches the reported results. Is it because of the
different potentials between VASP and Wien2K or there is some other
problem? Please suggest me if I am doing something wrong.

Dear Prof. Marks,
Thank you for the suggestion. I will go through the paper. Right now I am
just trying to reproduce the results for PrBi using Wien2K for a
calculation which is reported by VASP. I don't know why there is difference
in the Fermi level for the calculations performed using Wien2K and VASP.

Sincerely,
Anup Pradhan Sakhya (Ph.D.)
Visiting Post-Doctoral Fellow
DCMP&MS, TIFR, Mumbai
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