Finding noncolinear magnetic ground state

[MoJvd Arshia]

Hello everyone,

I would like to know a good way to find the noncollinear magnetic ground state of a system.(The most energetically favourable spin configuration in structure)

Is this achievable through simulated annealing in VAMPIRE? If yes, could anyone provide a recommended workflow?

Currently, my workflow is:

QE → Wannierization → TB2J → VAMPIRE

For high-throughput studies, this workflow becomes quite time consuming. Is there a faster or more efficient approach for obtaining magnetic ground states in such systems?

Any suggestions or references would be greatly appreciated.

Best regards

[الأستاذ لطرش‎]

You can do this using DFT , non collinear mode is implemented in Vasp and SPRKKR packages.