Hi Alex,
I encountered something unusual while calculating the monolayer’s properties. The bandgap value obtained using the HSE06 functional is 0.1554 eV, based on a 12x12x1 k-grid. I have entered this value in the settings.yaml file and provided the same vasprun.xml file as input. However, AMSET is still applying a scissor shift with a very large value, and I’m not sure why this is happening.
Can you help me understand this issue? For the reference, I have attached the screenshot of the same.
Thank you!