Author Topic: Heterostructure Band Gap calculation using MGGA  (Read 48 times)

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Offline nive

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Heterostructure Band Gap calculation using MGGA
« 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?

Offline Ulrik G. Vej-Hansen

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Re: Heterostructure Band Gap calculation using MGGA
« Reply #1 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