I want to demonstrate energy level diagram (levelsplot) of two paramagnetic site in the monoclinic cell (C2h). I calculated resonance signals of site1 (Fig. a) and site2 (Fig. c) with "pepper" function. I used separately "Opt.Sites=[1]" and "Opt.Sites=[2]" to show signal for each site.These signals should correspond the red marked transition of energy level at the Fig. e. But I can show only one site at the energy level diagram.
How can I show transitions belonging two site at the same diagram?
Energy Level diagram of two cite cell.JPG (61.9 KiB) Viewed 4078 times
I tried this. At this case, I should define the position(coordinate) of second site in the ES code. I was looking for an easy method.I realize that levelsplot doesnt contain 'Exp'. So it doesnt know any site of monoclinic cell unless i define.