Fix LobsterSet

[naik-aakash]

Issue

The POTCARs used to generate the input set are incorrect and do not match PBE_54 POTCARs. Currently, the potcar_symbols variable stores element symbols, which leads to the input set trying to find potcars matching element symbols only.

Fix

Correctly refer to potcars that should be used based on specified functional using potcar_symbols property of its base VaspInputSet class

Todo

• Write a test to avoid such issues in future

[coderabbitai]

Walkthrough

The modification updates the source of potcar_symbols in the incar_updates method, transitioning from using self.poscar.site_symbols to self.potcar_symbols. This change centralizes the definition of potential model symbols, potentially enhancing consistency and maintainability of the code.

Changes

File Path	Change Summary
pymatgen/io/vasp/sets.py	Updated variable assignment for potcar_symbols in incar_updates from self.poscar.site_symbols to self.potcar_symbols.

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[janosh]

is there a way to test this change with the scrambled POTCARs added by @esoteric-ephemera?

[JaGeo]

is there a way to test this change with the scrambled POTCARs added by @esoteric-ephemera?

Oh, yeah, we definitely need a test 😅

[naik-aakash]

Thanks @janosh ,for the suggestion, I was indeed planning to do that 😃 , will add the test in sometime

[naik-aakash]

Hi @janosh , I have added two tests for checking if the potcar symbols are consistent with PBE_54. Thus, PR could be merged incase there are no further comments on it. 😄

[janosh]

thanks @naik-aakash 👍