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Anonymous

GW for band gap calculations?

Hello there:

I am new to nanoHUB, so please forgive my ignorance. I am fascinated with it by the way!!!. I have briefly followed some tutorials. I am particularly interested in the band gap calculation. I have check the band gap diagrams. Here are my questions:

1. I assume the GW approximation is being used, correct? 2. Is there any chance to get the band gap value (accurately) from the diagrams other than zooming in and “reading” the energy from the Y axis?

Thanks in advance!!!

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