EasySpin forum

Hi Matt, Thanks for the reply, and I'd love to see that documentation. We've been simulating spins polarised in the high-field basis by just setting Opt.Output = 'separate' and then getting the polarised Z+/Z- spectra with [B,spc] = pepper(Sys,Exp,Opt); Spc = Spc{1}-Spc{2}; or similar, but if you've...

Hi all, I'm interested in high-spin organic excited states (triplets and quintets) that form from singlet fission. Recently, I've been running a few calculations with Orca to obtain ZFS D-tensors and hyperfine couplings. Here's the system imported into Easyspin as the result of a calculation on a TI...