Dear Friends,

You know better than me when an unrestricted system is considered for ETS-NOCV analysis by ADF software, the NOCV pairs are computed for both alpha and beta spins. They can separately be visualized. For instance, if one can visualize the isosurface of NOCV pair 1 from alpha (or beta) resolution, this goal could easily be reached. The question is that how one can visualize the sum of alpha and beta spin contribution in a specific NOCV pair. Indeed, suppose one is going to visualize the isosurface resulting from (alpha NOCV pair 1)+(beta NOCV pair 1). What is corresponding instruction in ADF 2020.102?

Too many thanks in advance.

Saeed