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Orbital resolved density of states
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Topic: Orbital resolved density of states (Read 4020 times)
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Hesam
Heavy QuantumATK user
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Orbital resolved density of states
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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.
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kstokbro
Supreme QuantumATK Wizard
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Re: Orbital resolved density of states
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Reply #1 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
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Hesam
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Re: Orbital resolved density of states
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Reply #2 on:
November 28, 2013, 08:43 »
Thanks, It was my mistake that didn't try DOS analysis itself
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Orbital resolved density of states