Skip to content

Low magnetization density treatment for LSDA with spinors

Nicolas Tancogne-Dejean requested to merge improve_spinors_low_magnetization_limit into main

Description

Changes the treatment of the low magnetization limit for LSDA with spinors. Now, a relative tolerance is introduced and in the case of lower tolerance, the system is assumed to be collinear, to avoid numerical instabilities.

News snippet

Improved stability for LSDA with spinors.

Checklist

  • I have checked that my code follows the Octopus coding standards
  • I have added tests for all the new features added in this request.

Merge request reports