[Wien] SO+HF calculations

[Gavin Abo]

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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