Yes I understand there should be 3 spin channels x y and z. x and y are zero in this case. When I try x or y <> 0 I get a BUG error which I posted separatly. Maybe that is related?
Total HSE06 DOS does not include f-states
Moderators: Global Moderator, Moderator
-
- Newbie
- Posts: 14
- Joined: Mon Dec 28, 2020 10:30 pm
-
- Newbie
- Posts: 14
- Joined: Mon Dec 28, 2020 10:30 pm
Re: Total HSE06 DOS does not include f-states
The other strange thing is that AFM runs seem OK, so it does seem that the problems are related to spin.
Ron