Dear all

I have calculated the d-band centers (proposed by Norskov and others in chapter 8 of the book "Fundamental Concepts in Heterogeneous Catalysis". My system is a spin polarised system.

Can I safely say, total DBC (d-band center) = DBC_up + DBC_down

and similarly

d-band width = d-band width_up + d-band width_down

I greatly appreciate your response. Thank you.