I'm not an expert on hf calculations, but the WIEN2k 19.1 (19.2) UG [1]
has on page 53 under Spin-orbit coupling has:
run(sp)lapw -hf -so...
I'm not seeing your command with the combined "-hf -so" options like in
the UG and post at [2].
[1] http://www.wien2k.at/reg_user/textbooks/usersguide.pdf
[2]
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg18305.html
On 3/16/2021 5:48 PM, Tarek Hammad wrote:
Dear Wien2k team and developers
I would like to run SO + hf calculations for semiconducting material ,
so, I ask about the steps of computations
For instance:
it could be
1- Normal PBE initialization and scf run.
2- Initi_so
3- run_lapw -so
4- init_lapw -hf
5- run_lapw -hf
Thanks a lot for your help.
Kind regards
Dr. Tarek Hammad.
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