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correct handling of magnetization in UnitCells #129

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dschick opened this issue Jun 22, 2023 · 0 comments
Open

correct handling of magnetization in UnitCells #129

dschick opened this issue Jun 22, 2023 · 0 comments

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@dschick
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dschick commented Jun 22, 2023

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

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