Can you please suggest the python module for getting work function from LOCPOT file of VASP output?

05 December 2022 1 7K Report

I need to get the work function and band edge position of a material. I have made the slab model and done the vasp calculation. I have the LOCPOT file along with other output files. Could you please recommend any python script to process these output files to get the work function and band edge positions?

Thanks in advance.

Rohit Dahule

VASPKIT

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