Author Topic: make sure that slectrodes deep enough?how can i understand?  (Read 3579 times)

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Offline fanjiaping

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make sure that slectrodes deep enough?how can i understand?

Offline Nordland

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It means that the electrode used in the calculations must be in the order of 5-10 Ang in length of the z-axis of the electrode unitcell to make sure
that there is not artificial scattering from an inaccurate surface greens function.

Offline fanjiaping

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thank you !