EasySpin forum

EasySpin makes it possible to simulate spectra in the case of Heisenberg Exchange and low radical mobility with chili() if you set the Sys.tcorr large enough. However, as the calculation shows, it is assumed that neighboring radicals in polycrystallites are ordered along the same direction. This can...

Hello! If you set A = 150 MHz and Nucs = 'Cu' then EasySpin will assign A(63Cu) = 150 MHz A(65Cu) = 150 MHz * nucgval ('65Cu') / nucgval ('63Cu') = 150 MHz * 1.5878 / 1.4824 = 160.7 MHz You can understand this from the following example: clear % Component 1 Cu63.g = [2.000 2.100]; Cu63.A = [mt2mhz(1...

Hello everyone! As far as I understand, the EPR spectrum of the biradical in the limiting case of a large exchange interaction constant should transform into the spectrum of the triplet state. (It is only necessary to redefine some constants of the Spin Hamiltonian.) However, in this example, no mat...

Can I set different correlation signs for different g and A tensor components in EasySpin 6? In EasySpin 5, I, in particular, managed to do this as follows: Sys.gAStrainCorr = 1; V.gStrain = [0.001 -0.0001]; More detailed example: clear, clf Sys.Nucs = '1H'; Sys.g = [2.001 1.999]; Sys.g = 2; Sys.A =...

Thank you! Now I understand! I thought that Exp.CrystalOrientation describes the rotation of the crystal relative to the laboratory coordinate system. But in fact it is Euler angles for the transformation of the crystal frame to the lab frame (C → L) as stated in "documentation/frames.html"...

I try to simulate the spectra of a system (S = 3/2 and axial zero-field splitting tensor) for its different orientations with respect to a static magnetic field. In particular, I try to simulate the spectra when the axial axis z of crystal (zC) is perpendicular to the field and there is a rotation a...

Something strange with the example "solidstate\cumnt2.m" in EasySpin 5.2.3 The spectra obtained are completely different than those were before. If this code Exp.CrystalOrientation = [0 0 0; 0 pi/2 0]; Opt.Output = 'separate'; [B,spec] = pepper(Sys,Exp,Opt); spec1 = spec(1,:); spec2 = spec...

Apparently, in the example \solidstate\cumnt2.m
should be replaced by

Apparently, in the example \solidstate\dstrain_corr.m should be replaced by