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Dear moderators and users,

I have a problem with DOS calculation when i manually assign RWIGS value (Wigner-Seits radius) in INCAR file.
By default VASP reads out RWIGS values from POTCAR, but when i manually put them to the INCAR, for example:

RWIGS = 2.138 1.402 1.312
(Sr Al Si)

... i obtain partial DOS profiles, which are very different (overestimated) from those when VASP reads out the same values from POTCAR by itself. Interestingly, that in order to get the similar DOS profiles i need to assign in the INCAR not original, but the modified values:

RWIGS = sqrt{2.138} sqrt{1.402} sqrt{1.312}
(Sr Al Si)

Could anybody explain the case?

With respect, Alexander Saranin

Please can you post the calculation where you see the issue?

In a default calculation RWIGS is not used and set to -1 and the projection of partial waves, partial DOS etc. are not calculated. They are only calculated if the user provides values for RWIGS in the INCAR file.