Dear Prof. Blaha, Thanks for your reply. You said that when the number of inequivalent atoms/multiplicities change in the course of initializing SO, one has to adapt case.vorbup/dn and in particular case.ineece manually. While it is easy to adapt case.ineece manually, it is not quite clear to me how to adapt case.vorbup/dn manually. Can you kindly expound further?
Thank you.
