EasySpin forum

Hey Stefan, thanks for getting back to me! The version of Orca that we have on our cluster appears to be 4.0.0.2, at least the download folder has it as orca_4_0_0_2_linux.

Hello! I'm very new to MatLab, I'm messing around with Easyspin because I want to use the program for research purposes. I've run an Orca calculation for hexa-aquo Manganese [2+] with epr output (see input file attached). I checked the output file to make sure that hyperfine values were calculated f...