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Author Topic: Dos analysis  (Read 2514 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?
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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.
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