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QuantumATK => General Questions and Answers => Topic started by: vivek-dhande on August 12, 2022, 01:33

Title: Density of states of a specific spin state
Post by: vivek-dhande on August 12, 2022, 01:33

Hello!

I am trying to learn about the density of states in a quantum well; I have created the device. The DoS through the IV analysis gives me the density of states for "Spin: Sum". I would like to find this for just "Spin Up" and "Spin Down". Is this possible? What modifications will I have to make?

Thank you!

Title: Re: Density of states of a specific spin state
Post by: Dongzhe on August 15, 2022, 07:45

Hi,
You need something like this:

# read the dos
dos = nlread('../xxx.hdf5',DeviceDensityOfStates)[0]
energies = dos.energies()

dos_up = dos.evaluate(spin=Spin.Up, projection_list = ProjectionList(atoms=All))
dos_down = dos.evaluate(spin=Spin.Down, projection_list = ProjectionList(atoms=All))

Have a look at the tutorial:
https://docs.quantumatk.com/manual/Types/DeviceDensityOfStates/DeviceDensityOfStates.html

Best,
Dongzhe Li
CEMES-CNRS, France