Inquiry on INCAR Setup for vdW-Heterostructure Work Function Calculation?

01 November 2024 0 6K Report

Respected Seniors,

I am working on calculating the work function for a van der Waals heterostructure and wanted to confirm if I should include the LUSE_VDW = .TRUE. tag in the INCAR file. Could you please share an INCAR file for work function calculations of vdW heterostructures?

Thank you very much for your guidance.

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