Re: [Wien] Calculate spin orbit coupling with external magnetic field (ORB package)

Thanks for the comments from Martin, Gerhard and Peter. I assumes all inputs accurate since ORB and SOC can be run individually. It works successfully if I change case.inorb to some other name before x symmetso and create it manually. I have one further question. The script symmetso generates cas

Re: [Wien] Calculate spin orbit coupling with external magnetic field (ORB package)

The same with me: I would have to dig through old archives to find out what I actually did, but I am fairly sure that I used SO + external field a few years ago (probably Wien2k 10 or 12) - and don't recall any incompatibilities between SO and external field at the time. Keep fingers crossed