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
maximum spin
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- EasySpin Creator
- Posts: 1120
- Joined: Mon Jul 21, 2014 10:11 pm
- Location: University of Washington
Re: maximum spin
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:
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:
Code: Select all
clear
Sys.S = 200;
Sys.D = -10;
H = sham(Sys,[0 0 7500]);
levelsplot(Sys,'z',[0 500]);
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- Newbie
- Posts: 2
- Joined: Fri Sep 05, 2014 2:37 am
Re: maximum spin
Thank you very much!!!!!