Author Topic: Dos analysis  (Read 2341 times)

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Offline HIMANI

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Dos analysis
« on: February 18, 2015, 08:09 »
Sir,
I have plotted the density of states plot for my structure. I am able to see the density of states in different orbitals s,p,d,f but I want to see the plot for different energy levels also like 1s,2p. Is it possible with the dos plot?
If not can we do it with any other plot?

Offline Umberto Martinez

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Re: Dos analysis
« Reply #1 on: February 18, 2015, 21:36 »
with standard pseudopotentials you don't have the core shells but only the valence electrons.
Hence, you cannot do this analysis and the angular momentum projection refer to this valence electrons.