QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: Hesam on November 28, 2013, 06:09

Title: Orbital resolved density of states
Post by: Hesam on November 28, 2013, 06:09

Is it possible to plot orbital resolved density of states (DOS). What I want is to see how each orbital contributes to DOS at different energies (it is like different DOS figures for different orbitals/atoms). I tried Molecular Energy Spectrum analysis but it just showed some eigen energies not DOS due to different orbitals.

Title: Re: Orbital resolved density of states
Post by: kstokbro on November 28, 2013, 07:22

If you generate density of states objects, you can plot onto different atoms or orbital shells,
check the VNL tutorial available from the help menu in 13.8.0, it has an example

Title: Re: Orbital resolved density of states
Post by: Hesam on November 28, 2013, 08:43

Thanks, It was my mistake that didn't try DOS analysis itself