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Have a look here: https://github.com/StollLab/EasySpin/bl ... ham_ezho.m

gFrame is taken into account for gStrain, i.e. the g and the gStrain matrix are always collinear.

It looks like you are using EasySpin 5.2.x. Try using 6.0.0-dev.x, where such models are a lot easier to implement.

EasySpin has these terms implemented, but they are not particularly well documented. Use Sys.Ham310 , Sys.Ham312 , Sys.Ham314 to specify the parameters for a spin Hamiltonian term cubic in magnetic field (3) and linear in spin (1). The final digit 0, 2, 4 refers to the rank of the tensor. For B 3S t...

Asymmetric g and A matrices are kept and used as defined in the spin system structure, they are not symmetrized by EasySpin.

It is currently not possible to do this.

What specific form does the Hamiltonian have that you would like to add? Is it formulated in terms of spin operators?

Maybe this can be added to EasySpin.

You can write a custom simulation function that calls curry several times, once for each temperature with the associated field values, and then return all the calculated values as a vector.

Is this from the resfields_roadmap.m example? There, rotN is the rotation axis, expressed in the lab frame.

Using the latest Easyspin 6.0.0-dev.53 and MATLAB R2023a: clear, clc EoverD = linspace(0,0.33,34); D = 100e3; % MHz (large) Sys.S = 5/2; Sys.g = 2; Exp.Field = 350; Exp.MolFrame = [0 0 0]; Opt.Transitions = reshape(1:2*Sys.S+1,2,[]).'; nTransitions = size(Opt.Transitions,1); sampleframe = {[0 0 0],[...

These do not look like EasySpin options.

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