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QuantumATK => General Questions and Answers => Topic started by: nive on September 6, 2019, 19:43

Title: Heterostructure Band Gap calculation using MGGA
Post by: nive on September 6, 2019, 19:43

Hello sir
I want to know how to calculate band gap of heterostructure using MGGA ?
How to insert c parameter for two different structures of the heterostructures?

Title: Re: Heterostructure Band Gap calculation using MGGA
Post by: Ulrik G. Vej-Hansen on September 9, 2019, 09:29

It is described with an example on the manual page here: https://docs.quantumatk.com/manual/Types/ExchangeCorrelation/ExchangeCorrelation.html