Force convergence using the LLG method at finite temperature

[XueMaXue]

Dear all,

I am using llg and applying temperature, and using the DEPONDT solver. I would like to ask why the Maximum torque is always around 0.2? Is it not converging? Do I need to run all the steps?

In addition, I would like to know if Spirit still cannot calculate the bulk structure of hcp?

Best regards,
Xue Ma

[MSallermann]

Hi @XueMaXue,

this is just a consequence of the finite temperature noise. The random kicks will always perturb the system away from the actual local energy minimum (where the torque would be exactly zero).
The value it saturates at (0.2 in your case), most likely, increases with increasing temperature.