QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: smaili on January 28, 2019, 13:38

Title: Spin Density
Post by: smaili on January 28, 2019, 13:38

Dear all,
I am new to atk and I am wondering how to calculate the spin density.  Is it possible to calculate it for a device?

Title: Re: Spin Density
Post by: Ulrik G. Vej-Hansen on January 28, 2019, 14:49

You can calculate the electron density for a specific spin component, as described here: https://docs.quantumwise.com/manual/Types/ElectronDensity/ElectronDensity.html

Is that what you are looking for?

Title: Re: Spin Density
Post by: smaili on January 29, 2019, 05:41

Thanks a lot for your response. I think it works.