Desnity Plot of Crystal

[abir0]

For Hydrogen atom, density plot was made (cuts along the 4D space). Why don’t we create similar density plots for crystals instead of band structure plots? And if we wanted to, how would we make such a plot using DFT code?

[abir0]

I think I got the answer in the later sections. Charge density plot is such visualization. Also band structure plot is giving different information than density plot, band structure doesn’t represent any information on the real space (at least not directly if I understood it right).

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