CubeLDFAModel

This uses a cube file to attach friction coefficients to existing models by fitting the data provided by Gerrits et al. in PHYSICAL REVIEW B 102, 155130 (2020).

LDFAModel(model::Model, filename, atoms, cell;
          friction_atoms=collect(range(atoms)),
          )

Wrapper for existing models that adds LDFA friction.

This model uses a cube file to evaluate the electron density used to calculate the friction. This model assumes that the cube file has units of bohr for the grid and cell distances, but provides the density in $Å^{-3}$, as is the default in FHI-aims.