EasySpin forum

I am not sure what you are asking for, but it looks like the left-hand spectrum has an incorrect field or g offset, but the one on the right is spot on.

Correct. Level crossings can be regarded as avoided crossings with the gap energy going towards zero. Therefore, there is no way to consistently label energy levels other than just by increasing (or decreasing) energy.

Looks good!

Have you tried calling esfit the way I suggested above? There, there are only 5 inputs, and you shouldn't get this error message.

Make sure you are using version 6.0.0-dev.*. You can check by typing easyspin in the command window.

Manganese pushes the memory limits, in particular if you are using matrix diagonalization.

Are you using 'pepper` for this? If yes, perturbation theory should work.

For photosystem 2, there is an official EasySpin example: examples/solidstate/photosystem2_oec.m.

If you provide a reference for the isotope data, we are happy to add this isotope to the isotope list.

In addition to adding your Pa isotope, you need to remove the dummy Pa line that starts with 91 0 * Pa protactinium.

Thanks for locating this problem! We will revert to syntax that is supported by older MATLAB versions.