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Arnab Mukhopadhyay @ 4:41 pm on 03 Feb 2017

Best method to calculate Phosphorene band gap apart from HSE06.

We know that DFT-GGA underestimates the Phosphorene band gap. HSE06 gives better result. Is there any other computational method apart from HSE06, which gives good result which is very close to experimental value?

bandgap
Phosphorene

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