QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: beauyy on September 12, 2024, 09:37

Title: output the single-ion anisotropies and anisotropic exchange constants
Post by: beauyy on September 12, 2024, 09:37

Dear all,

I am still using QuantumATK 2018. I need to calculate the Curie temperature of some 1D and 2D ferromagnetic materials. According to the Heisenberg model, the anisotropies and anisotropic exchange constants need to be provided. Is there any .py script that can output all these results with DFT+U?

Thanks.