[QE-users] maxstep increasing for phonon convergence

a.esmaeili at urmia.ac.ir a.esmaeili at urmia.ac.ir
Mon Jun 26 21:25:18 CEST 2023


​Dear developers,
I'm using qe-7.1. To obtain convergence using pH.x, I increased maxstep in phonon/PH/phcom.f90 from 100 to 250 but the run is also terminating at 100 iteration without convergence!
I repeated maxstep 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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