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 <[email protected]> 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
<[email protected]
<mailto:[email protected]>> 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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