Input for Ordering Potential C20

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Shayak
Newbie
Posts: 1
Joined: Fri Aug 02, 2024 8:08 am

Input for Ordering Potential C20

Post by Shayak »

Hii,

I am new to using easyspin, and I was trying to simulate nitroxide radical spectra, similar to MTSL. I believe I need to input the ordering potential C20 to the input parameters, but I am unable to do so. I think previously it was done with Sys.lambda, but it has changed to Sys.Potential, and I am unable to comprehend the documentation. Also, when I use Sys.Potential, it asks me to provide the Opt.LLMK and I am unsure how it works. It would be great if someone could provide some insight on how to go about the problem.

Thanks.

Stefan Stoll
EasySpin Creator
Posts: 1106
Joined: Mon Jul 21, 2014 10:11 pm
Location: University of Washington

Re: Input for Ordering Potential C20

Post by Stefan Stoll »

Try Sys.Potential = [2 0 0 c20] where c20 is the potential parameter.

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