EasySpin forum

Hi Dr. Stoll, Sorry it took so long, but I had to make sure I had all the permissions set before sharing this code. clear; %Sys = orca2easyspin('Input.prop'); %Sys = nucspinkeep(Sys,[1,2,3,4,5]) Sys.Nucs = 'I,Sb,Sb,I,Co'; Sys.D = [-4.897778336925471e+04,5.766235547677643e+03,6.827539994337564e+04]; ...

Hi Everyone, I have a 5 nucleus spin system which is centered around Cobalt. When I try to run cwEPR (pepper) the run crashes because the matrix is too large. I defined my electronic properties in Orca and imported them through the intrinsic in Matlab. Orca generated the A and D matricies. Attached ...