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Dear Easyspin Comminity Are any of you aware if it is possible to apply different line widths for different transitions when calculating spectra using pepper ? The "separate" output option is very convenient to look at transitions individually - perhaps one could provide an array with the ...

Quick input from my size: ES relies on having a quantum state represented in an uncoupled m_J basis, i.e. each site should have a well-defined spin quantum number. A state with quantum mixing of HS and IS states does not have a well-defined value of S as far as I am aware, thus I imagine ES is not w...

Hi Stefan We actually discussed this on one of the ES zoom calls a while ago. The Hamiltonian in question uses a different basis than the typical uncoupled m_J basis (new interaction, more quantum numbers needed). My guess is that one would need to define new transition operators in this basis. Coul...

Dear Easyspin community As the title says: Is it possible to run Easyspin with a user-defined function to set up the Hamiltonian instead of "sham/ham"? I want to simulate spectra of systems governed by double exchange interactions, which are not currently implemented in Easyspin. Best, Ras...

Dear ES community We are currently doing a variable-frequency single-crystal study of a compound with Mn as the only magnetic ion. I have discovered an unexpected isotropic signal at g = 1.7. It appears at all frequencies and is independent of the direction of the applied field. I expect all signals...

Thanks for your replies @Stefan: The code does not give any errors; the returnt array spcSim is simply full of 0. Besides that, the code runs, and no error messages are given. I corrected a few typos I my original post and it should run now. @Matt: That sounds like a reasonable explanation. In fact,...

I found a solution for this: Write a custom function that interpolates a simulated spectrum using a spline and evaluate it at the unevenly spaced field values: function [B, spc] = splinespc(Sys, Exp, Opt) Exp.nPoints = 10e4; %some arbitrary number %Exp.XData contains the field values at which your d...

Dear Easyspin community Today I discovered a bug. I was able to simulate a full spectrum (0-15.8 T) very well using 'pepper'. However, when I try to only simulate a narrow range (15.5-15.8 T) 'pepper' returns nothing but zeros instead of something similar to what I got for the broad simulation. Am I...

Dear Easyspin community I am trying to fit some data where my data points (intensity vs. field) are not equally spaced along the field axis. Can pepper/esfit coomodate that? As far as I can tell from the documentation, it is only possible to define a number of point (Exp.nPoints) and either a range ...