EasySpin forum

Dear Stefan, Really sorry for bothering you again. May I please ask you to check that the M2L rotation matrix is indeed R_M2L = R_C2L*R_M2C and not R_M2L = R_M2C*R_C2L? Using the former, the molecular frame does not follow the rotation of the crystal around yC, but instead does a rotation around the...

Dear Stefan, Is there a way to visualise the L2M (lab frame to molecular frame) rotation matrix? If not, would it be possible to check how Easyspin is handling both the crystal rotation and the corresponding molecular frame orientation with respect to the lab frame? For example, if I have: Exp.MolFr...

Hi, may I please ask you to check that what I'm doing is correct? As it was explained in the previous post, I have semi-oriented Cu spectra. So far I have been use rotatecrystal to simulate the disorder over 2 directions, which is very easy to set up if the rotation axis overlaps with one of the lab...

Hello, I've just downloaded the latest version (5.0.0 beta) of easyspin because apparently the old version expired today. I think this new version has a bug: I'm simulating second derivative cw-X band spectra and the simulation doesn't make any sense unless I have the lw above 0.6 for the Lorenztian...