Author Topic: Electron density of a specific energy level  (Read 2628 times)

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Offline GJK

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Electron density of a specific energy level
« on: October 1, 2016, 13:45 »
Hi,

How to obtain the electron density of a specific energy level (or) electron density of a valence band/conduction band.

We have the codes to calculate the overall electron density of a system.But not for individual electron density of each energy level or energy bands like valence band and conduction band.

Thanks

Offline zh

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Re: Electron density of a specific energy level
« Reply #1 on: October 2, 2016, 03:38 »
Alternatively, you can calculate the Bloch states (the partial electron density is the square of Bloch state for a specific state)
http://docs.quantumwise.com/manuals/Types/BlochState/BlochState.html#blochstate-c