How to find a bandgap in CASTEP ( Material studio) for a system where the minima of conduction and maxima of the valence band are mixed?

04 June 2021 0 5K Report

Hlw experts, How to find a bandgap in CASTEP ( Material studio) for a system where the minima of conduction and maxima of the valence band are mixed? For ex : metal oxide doped with another metal system. CASTEP is giving Bandgap of pure metal oxide but not for the doped one.

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