EasySpin forum

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!

Unfortunately, this is not implemented. Please open an issue on EasySpin's GitHub repository, ideally including a minimal sample script.

OK, I did so, hopefully correctly (I am new to github).

Thanks!