QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: HIMANI on February 18, 2015, 08:09

Title: Dos analysis
Post by: HIMANI 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?

Title: Re: Dos analysis
Post by: Umberto Martinez 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.