Skip to content

Draft: Bxc calculator for the MFT

Thorbjørn Skovhus requested to merge bxc-calculator-for-mft into master

In this MR, we introduce a BxcCalculator interface, which can calculate and keep a buffer of the Bxc field for MFT calculations. It is an advantage to contain this in a separate calculator, since it allows us to use only a single IsotropicExchangeCalculator in the case where we want to try out different Bxc fields, without having to recalculate anything.

In addition to the pre-existing LSDA Bxc field implemented, this MR also introduces a new GoldstoneBxcCalculator.

The magnetic/mft tutorial has been updated to showcase the new interface to the code.

Closes #610 (closed)

Edited by Thorbjørn Skovhus

Merge request reports