<html><head><style id="axi-htmleditor-style" type="text/css">p { margin: 0px; }</style></head><body dir="" style="font-size: 10pt; font-family: "Source Sans Pro", sans-serif; background-image: none; background-repeat: repeat; background-attachment: fixed;"><span style="font-size: 10pt;">Dear </span><span style="font-size: 13.3333px;">Abiodun Odusanya,</span><div style="font-size: 13.3333px;"><span style="font-size: 13.3333px;">Many thenks for your response. I </span><span style="font-size: 13.3333px;">reduced alpha_mix(1) and increased nmix_ph.</span></div><div style="font-size: 13.3333px;"><span style="font-size: 13.3333px;">However, It is question for me why changing maxter does not control the maximum number of iterations!</span></div><div style="font-size: 13.3333px;"><br></div><div style="font-size: 13.3333px;"><span style="font-size: 13.3333px;">Asghar</span></div><!--axi-signature_placeholder--><br>On Mon, 05 Tir 1402 11:43 PM, Abiodun Odusanya <aaodusanya@aggies.ncat.edu> wrote:<br><blockquote style="margin-left: 10px; padding-left: 10px; border-left: 1px solid #ccc;"><div dir="auto">Hi,<div dir="auto"><br></div><div dir="auto">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.<br><br><div data-smartmail="gmail_signature" dir="auto">Abiodun Odusanya<br><br>Graduate Assistant of Mechanical Engineering<br><br>North Carolina A & T State University<br><br>1601 East Market Street<br><br>Greensboro, NC 27411</div></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Mon, Jun 26, 2023, 3:42 PM Esmaeili via users <<a href="mailto:users@lists.quantum-espresso.org">users@lists.quantum-espresso.org</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="" style="font-size:10pt;font-family:"Source Sans Pro",sans-serif;background-image:none;background-repeat:repeat">Dear developers,<div><span style="font-size:10pt">I'm using qe-7.1. T</span><span style="font-size:10pt">o 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!</span></div><div>I repeated maxster adjusting several times but the number of iterations doesn't increase. </div><div>Would you please let me know how can I increase the number of iteration in pH.x?</div><div><br></div><div>Yours Sincerely,</div><div>Asghar</div></div>_______________________________________________<br>
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