matlab prompts insufficient memory

[lulunulibiye]

Hi all，

The system I am studying is photosystem 2, which has four manganese. When using easyspin to draw the energy level diagram, matlab prompts that there is insufficient memory. When using matrix diagonalization to simulate the EPR spectrum, it also prompts that there is insufficient memory. But perturbation theory does not work for electron spins with S>1/2.I want to simulate the energy level diagram and EPR spectrum, but the system has four nuclei.Is there any way to solve the problem of insufficient memory?

Thanks
Regards,
Lu

[Stefan Stoll]

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.