Total HSE06 DOS does not include f-states

Queries about input and output files, running specific calculations, etc.


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ronald_cohen
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Re: Total HSE06 DOS does not include f-states

#16 Post by ronald_cohen » Tue Jul 15, 2025 1:30 pm

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?


ronald_cohen
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Posts: 14
Joined: Mon Dec 28, 2020 10:30 pm

Re: Total HSE06 DOS does not include f-states

#17 Post by ronald_cohen » Tue Jul 15, 2025 1:34 pm

The other strange thing is that AFM runs seem OK, so it does seem that the problems are related to spin.
Ron


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