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

[Laurence Marks]

It may work. However, remember that you are deciding what the answer
is, which is very dangerous!

If you are using an old Wien2k the spin convergence might be slower
that with a recent one.

To use runfsm -m X you just decide what "X" should be then run. After
a bit, go back to normal runsp. Beware!

On Wed, Sep 29, 2021 at 12:38 PM Algerian Researcher <jazairdz at gmail.com> wrote:
>
> Thanks Pr Laurence for your answer
>
> I have found in a previous post that when we get a convergence problem because of the bad first estate electronic total density applied we can estimate the total magnetic moment and apply the FSM to get a good estimate electronic density to fix the problem and get a good convergence.
>
> Is it true or not ?
>
> --
>
>
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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