[QE-users] maxster increasing for phonon convergence

[Paolo Giannozzi]

On 6/28/23 06:32, Esmaeili via users wrote:

> However, It is question for me why changing maxter does not control the 
> maximum number of iterations!

it does. Did you recompile?

Paolo

> Asghar
> 
> On Mon, 05 Tir 1402 11:43 PM, 
> Abiodun Odusanya <aaodusanya at aggies.ncat.edu> wrote:
> 
>     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
>     <mailto: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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-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine Italy, +39-0432-558216