levelsplot

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Wakka wakka wakka
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Posts: 7
Joined: Sun Sep 07, 2014 9:23 am

levelsplot

Post by Wakka wakka wakka »

When I use levelsplot to generate the energy level, I only see one transition. However, when I try to simulate the spectra using pepper, I see two transitions. one of the peaks is isotropic and the other one behave exactly as the transition in levelsplot (anisotropic). I can not use gstrain since I am coupling two spin systems. What could be the reason?
ThomasMCasey
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Joined: Tue May 26, 2015 1:50 pm

Re: levelsplot

Post by ThomasMCasey »

Post your Sys structure(s).

levelsplot shows the transition(s) for the one orientation of your spin system that you supply. The spectrum you get with pepper is a powder spectrum; which represents transitions for all orientations of your spin system. The number of features in a derivative powder spectrum reflects tensor symmetry, not the number of transitions.
Wakka wakka wakka
Newbie
Posts: 7
Joined: Sun Sep 07, 2014 9:23 am

Re: levelsplot

Post by Wakka wakka wakka »

Pepper gives a powder spectrum unless I specify the orientation which I did.
ThomasMCasey
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Re: levelsplot

Post by ThomasMCasey »

Can you post your input structures for both pepper and levelsplot?
Matt Krzyaniak
EasySpin Guru
Posts: 153
Joined: Tue Jul 22, 2014 11:01 am
Location: Northwestern University

Re: levelsplot

Post by Matt Krzyaniak »

Wakka wakka wakka wrote:When I use levelsplot to generate the energy level, I only see one transition. However, when I try to simulate the spectra using pepper, I see two transitions. one of the peaks is isotropic and the other one behave exactly as the transition in levelsplot (anisotropic). I can not use gstrain since I am coupling two spin systems. What could be the reason?
It's a little hard to understand what exactly your problem is without an example to work from, so it'd be helpful to also post the matlab script.
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