QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: NW on October 25, 2018, 12:12

Title: noncollinear and noncollinear Spin Orbit
Post by: NW on October 25, 2018, 12:12

Hello,

I have read the following tutorial: https://docs.quantumwise.com/tutorials/noncollinear_calculations_for_metallic_nanowires/noncollinear_calculations_for_metallic_nanowires.html#noncollinear-calculations-for-metallic-nanowires

But I am little bit confused what is the difference between noncollinear and noncollinear Spin Orbit?

Title: Re: noncollinear and noncollinear Spin Orbit
Post by: Ulrik G. Vej-Hansen on October 26, 2018, 09:06

Noncollinear means that the spin is allowed to have any direction, not just up and down as in a normal spin-polarized calculation. Noncollinear spin-orbit means that spin-orbit interactions are also taken into account and requires psuedopotentials that support this. The script generator in nanoLab will take care of this, and in a script they usually end with "SO" to signify this.