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Voigtian dispersion

Posted: Thu Aug 08, 2024 6:13 pm
by liutl

Dear users of EasySpin,
I want to ask a question regarding the dispersion functions calculated using the Voigtian function in this package.
I noticed that the phase and derivative inputs are only assigned to the wider component, and the narrower one is only for convolution.
I thought there would be two ways of calculating dispersion which turned out to give different results.
(1) ydisp = voigtian(x,x0,fwhmGL,0,pi/2)
(2) [yabs ydisp] = voigtian(x,x0,fwhmGL,0,0)
First case: ydisp will be calculated as the convolution of the dispersion of the wider one with the absorption of the narrower one
Second case: ydisp will be calculated as the convolution of the dispersion of both.

Basically what I meant is, using one output but applying a pi/2 phase doesn't achieve the same dispersion function as would be obtained with two output request.
Can someone help explain?

Thanks,
Tianlin


Re: Voigtian dispersion

Posted: Fri Aug 23, 2024 1:53 pm
by Stefan Stoll

Hello Tianlin, this is a bug - thanks for reporting! It will be fixed in the next bug fix release 6.0.5.