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Reproducing spectral simulations
Posted: Mon Feb 17, 2025 12:00 am
by suhang
Hi all,
I am trying to reproduce a multi-trace EPR spectrum similar to the one attached (see image). The spectra contain three panels (A, B, C) with different spin states (S = 5/2 and S = 7/2) and different E/D values. I would like to know how to set up the simulation parameters and plotting commands in EasySpin to achieve similar results
Best regards,
Su
Re: Reproducing spectral simulations
Posted: Mon Feb 17, 2025 10:39 pm
by katarkon
You have to use pepper function with muliple component spectrum https://easyspin.org/easyspin/documenta ... icomponent
See also definition of zerofield splitting from D and E https://easyspin.org/easyspin/documenta ... tem.html#D
Re: Reproducing spectral simulations
Posted: Tue Feb 18, 2025 4:54 am
by suhang
Thank you for your reply. I will take a careful look and give it a try.