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Sapan Agarwal @ 09:59 PM on 05 Sep, 2012
Hi,
I’m trying to understand the electron_core_model and had a few questions about using it. Is the hole_density defined when using an electron_core_model and can the hole density be found for a Poisson solver?
Do automatic_threshold and spatially_varying_threshold work with type III band alignments where you would need the electron_core_model? It seems like they would fail in such a situation.
Thank you, Sapan
Michael Povolotskyi @ 10:04 PM on 05 Sep, 2012
The hole density is not defined in this case, because there is no holes in this model.
As for the automatic threshold – yes, unfortunately it would fail. You have to put a very low threshold there (like -100).
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