What are the methods to calculate band edge from DFT ?

Shilendra Kumar Sharma @Shilendra_Sharma2

08 August 2016 1 4K Report

Is it necessary to calculate band edge from hybrid functional ? Good references for the same .

Thank You All

Shilendra

Behnam Farid

You may wish to consult the responses on the attached page, dealing with the same question.

https://www.researchgate.net/post/How_to_calculate_the_band_edge_positions_of_a_semiconductor_using_DFT

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