effective spin-system and pseudonuclear effects with saffron

[Stefan Stoll]

You can work around this by using Opt.Transitions = [1 2]. This will tell saffron to only use the transition between levels 1 and 2 (the lowest Kramers doublet) and skip all the other transitions.

In order for this to work properly, please download the latest version 5.0.16, which just posted.

[lorenz]

Thank you very much!!!
I'll try it. Thats perfect.

[tastich]

Wouldn't explicitly stating the temperature also work? Although the calculation would take longer.

[Stefan Stoll]

In the current version, there is no way of specifying the temperature.

However, there is a workaround: Use Opt.Transitions to specify the transitions between the electron manifolds you want to be included in the ESEEM simulation. In your case: Opt.Transitions = [1 2].