EasySpin forum

DanielKlose, Thank you for your reply. I have tried your tips, but I am still running into the same error. Maybe it has something to do with my ORCA input files -- does the level of theory/functional matter here? I've attached images of both the optimization and g-tensor calculation input files usin...

Hello, I am trying to simuluate EPR spectra by importing output from ORCA calculations, but whenever I try to do so I get the following message: Error using orca2easyspin Cannot access ORCA output file TPPOH_epr_property. Error in untitled (line 1) Sys = orca2easyspin('TPPOH_epr_property'); I am usi...