In the case of UnitCells it is not entirely clear how to handle the magnetization of individual atoms correctly.
While the individual magnetization can be handled by XrayDynMag for the case of an LLB simulation we need to provide an average magnetization per Layer.
Moreover, the current implementation of the magnetization in the UnitCell class does not allow to easily handle units as it is done with the latest commit for the AmorphousLayer class, see eb92d58
In the case of
UnitCells it is not entirely clear how to handle the magnetization of individual atoms correctly.While the individual magnetization can be handled by
XrayDynMagfor the case of anLLBsimulation we need to provide an average magnetization perLayer.Moreover, the current implementation of the
magnetizationin theUnitCellclass does not allow to easily handle units as it is done with the latest commit for theAmorphousLayerclass, see eb92d58