Author Topic: Charge density  (Read 2866 times)

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Offline ams_nanolab

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Charge density
« on: October 31, 2015, 17:25 »
How can I visualize charge density on atoms as in http://arxiv.org/pdf/1506.04707.pdf ?

Offline Anders Blom

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Re: Charge density
« Reply #1 on: November 1, 2015, 21:54 »
Those are just Bloch functions.

Offline Umberto Martinez

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Re: Charge density
« Reply #2 on: November 2, 2015, 10:39 »

Offline zh

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Re: Charge density
« Reply #3 on: November 3, 2015, 02:54 »
Additional comment:
The quantity shown in Figure 5 of arXiv:1506.04707v1 is the square of Bloch states at the band edges.

Once you calculate the Bloch states at the band edges, you can do further manipulations by a short coding in order to the obtain the square of Bloch states.

Offline ams_nanolab

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Re: Charge density
« Reply #4 on: November 3, 2015, 07:48 »
Thanks for the help  ;D