[QE-users] maxster increasing for phonon convergence

[Abiodun Odusanya]

Hi,

Try reducing alpha_mix(1) to 0.1 and increase nmix_ph to 8, that should
solve the problem if your structure is well relaxed.

Abiodun Odusanya

Graduate Assistant of Mechanical Engineering

North Carolina A & T State University

1601 East Market Street

Greensboro, NC 27411

On Mon, Jun 26, 2023, 3:42 PM Esmaeili via users <
users at lists.quantum-espresso.org> wrote:

> ​Dear developers,
> I'm using qe-7.1. To obtain convergence using pH.x, I increased maxster
> in phonon/PH/phcom.f90 from 100 to 250 but the run is also terminating at
> 100 iteration without convergence!
> I repeated maxster adjusting several times but the number of iterations
> doesn't increase.
> Would you please let me know how can I increase the number of iteration in
> pH.x?
>
> Yours Sincerely,
> Asghar
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