EasySpin forum

Prof. Stoll, I downloaded the EasySpin code from Github, and started making some small changes so it can run on Octave. So far I was able to run the pepper function and the esfit function, although not graphically. Basically I disabled some checks of Matlab version and fixed some warnings arising fr...

Greetings, I started trying to fit a set of magnetization curves with curry and esfit. If I use Opt.Scaling = 'none', I get an error when starting the fitting in interactive mode: Unrecognized function or variable 'scalefactor'. Error in rescale Error in esfit Error in esfit_simplex Error in esfit E...

Dear Prof. Stoll
thank you very much for these recommendations.
I will test them one by one.
Best regards,
Nicolas

Greetings, I was trying to simulate a dinuclear low spin Co(II) system where there may be a small exchange and dipolar interaction, as well as large and resolved hyperfine splittings to the Co(II), using pepper. I noticed that attempting anything other than full matrix diagonalization produced unrea...

This is excellent news! Thank you very much!
I haven't entered the forum in a while, and was happily surprised by this.
If I am able to migrate some of the functionality to Octave I will post it in the forum.
Best wishes!

Hi, thanks for the answer. The system is indeed too large, and I'm using the hybrid option; full diagonalization would be impossible. I don't think that J >> A, I would say is is perhaps in the order of magnitude, maybe it is larger. Anyway my simulations don't seem to be too sensitive to J. Then pe...

Greetings, I'm trying to simulate an isotropic signal of a spin coupled system which contains two weakly coupled S = 1/2 spins and several nuclei. I have 8 N atoms and two I = 1/2 nuclei. All of them are coupled but the system is highly symmetric so all the nuclei are equivalent. garlic doesn't seem...

Thank you very much!
I will from now on check the linearity always.
Best regards,
Nicolas

Sorry, here are the spectra in a zipped file.

Prof. Stoll,
I upload the original files and my M-file with the simulations.
Thank you very much!
I apologize for the delay.