[Wien] Should the valence electrons configuration of charge transfer insulators be changed ?

[丁一凡]

Respected Prof. Marks,


I remember 1/2 core hole calculations in this article "Partial core hole screening in the Cu L-3 edge" (DOI:10.1007/s100510170179). When calculating my systems, I only used a full core hole and supercell. I will follow your suggestion and try it. In the previous calculation, I didn't notice the relation between spin and core hole. Please allow me to ask a question here, why is runfsm the best method ? 
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