  We have implemented the Bogoliubov-de Gennes (BdG) equation in a screened
Korringa-Kohn- Rostoker (KKR) method for solving, self-consistently, the
superconducting state for 3d crystals including substitutional impurities. In
this report we extend this theoretical framework to allow for collinear
magnetism and apply it to fcc Pb with 3d magnetic impurities. In the presence
of magnetic impurities, there is a pair-breaking effect that results in sup-gap
Yu-Shiba-Rusinov (YSR) states which we decompose into contributions from the
individual orbital character. We determine the spatial extent of these impurity
states, showing how the different orbital character affects the details of the
YSR states within the superconducting gap. Our work highlights the importance
of the first principles based description which captures the quantitative
details making direct comparisons possible with experimental findings.

Superconductivity