EasySpin forum

Hi,
I’m Raffaella and I work at Molecular Magnetism Laboratory of Florence University. I’m trying to simulate powder spectra of magnetic nanoparticles using the very simple model of “giant spin” (an unique large spin of S=1000) .Please, I need to know the maximum spin value that is possible to simulate with Easy Spin. The text of program is :
“Sys.S = ? ;
Sys.g = 2.0023; % isotropic g
Sys.lw = [0 4];

% Zero-field splitting in terms of D and E
D = -10;
E = 0;
Sys.D = [D E];
Exp.mwFreq = 9.38;
Exp.Mode = 'perpendicular';
Exp.Harmonic =1;
Exp.Temperature = 250;
pepper(Sys,Exp); “

Thank you very much

Raffaella

ES does not have a defined maximum S. The higher S, the slower calculations and simulations will run. At some point you will run out of computer memory. But there are no built-in limits in ES.

Powder simulations will slow down significantly with increasing S, approximately proportional to S^2. For your particular spin system, try to avoid the low-field region if you can, as there are going to be many anticrossings that take a lot of time to model.

Here's an illustration showing the energy level diagram:

Thank you very much!!!!!