EasySpin forum

I would say that +/- 360 degrees would come in handy. Certainly, that would cover each rotation dimension twice over, but sometimes fits of frames end up at negative rotations and it would be nice to be able to visualize them manually.

A very minor bug for rotview: the graphical output of does not accept negative rotations, although the command line invocation can accept, calculate and plot them just fine.
It is the sliders in the plotted figure that cannot handle negative values.

That's all!

Hello,

I would like to do a curry calculation of a very large system (five Gd(III) ions). Fortunately, the system is isotropic, so block diagonalization of the Hamiltonian is a valid approach.

Does ES do this, either automatically, or through an option?

Thanks!

Seems like fluid solution spectra?

The first is simulated with pepper (which is for powders and frozen solutions) and the latter with garlic, but without defining a tcorr.

Maybe try out garlic with tcorr?

You may see that the flat parts of the simulations do not follow the parts where Tm has drop-offs.

Here are the spectra files and a fitting script.

Yes that did the trick!

Thank you Matt.