[Wien] About testing the FSM procedure to fix the convergence problem

[Laurence Marks]

I do not believe there is an example, and I do not think one is
needed. To use the method safely requires good familiarity with
Wien2k, in which case it is somewhat trivial!

Do something like creating a simple bulk MgO with spin and all spins
up, then use "runfsm -m 0". Many other possibilities exist. It works,
and ain't rocket science.

On Wed, Sep 29, 2021 at 1:28 PM Algerian Researcher <jazairdz at gmail.com> wrote:
>
>
> I know that the convergence problem is no longer an issue for the new versions but I want to test the procedure using an old version
>
> Best regards
>
> --
>
>
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-- 
Professor Laurence Marks
Department of Materials Science and Engineering
Northwestern University
www.numis.northwestern.edu
"Research is to see what everybody else has seen, and to think what
nobody else has thought" Albert Szent-Györgyi