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<p>> <span style="caret-color: rgb(33, 33, 33); color: rgb(33, 33, 33); font-family: wf_segoe-ui_normal, "Segoe UI", "Segoe WP", Tahoma, Arial, sans-serif, serif, EmojiFont; font-size: 15px;">I used q6.6 version there are my input file and my output file.</span></p>
<p><span style="caret-color: rgb(33, 33, 33); color: rgb(33, 33, 33); font-family: wf_segoe-ui_normal, "Segoe UI", "Segoe WP", Tahoma, Arial, sans-serif, serif, EmojiFont; font-size: 15px;"><br>
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<p><span style="caret-color: rgb(33, 33, 33); color: rgb(33, 33, 33); font-family: wf_segoe-ui_normal, "Segoe UI", "Segoe WP", Tahoma, Arial, sans-serif, serif, EmojiFont; font-size: 15px;">This is already old. You should try QE v7.2</span></p>
<p><span style="caret-color: rgb(33, 33, 33); color: rgb(33, 33, 33); font-family: wf_segoe-ui_normal, "Segoe UI", "Segoe WP", Tahoma, Arial, sans-serif, serif, EmojiFont; font-size: 15px;"><br>
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<p><font color="#212121" face="wf_segoe-ui_normal, Segoe UI, Segoe WP, Tahoma, Arial, sans-serif, serif, EmojiFont"><span style="caret-color: rgb(33, 33, 33); font-size: 15px;">For the SCF </span></font><font color="#212121" face="wf_segoe-ui_normal, Segoe UI, Segoe WP, Tahoma, Arial, sans-serif, serif, EmojiFont"><span style="caret-color: rgb(33, 33, 33); font-size: 15px;">convergence,
you can try to use lower mixing_beta (e.g. 0.1</span></font><font color="#212121" face="wf_segoe-ui_normal, Segoe UI, Segoe WP, Tahoma, Arial, sans-serif, serif, EmojiFont"><span style="caret-color: rgb(33, 33, 33); font-size: 15px;">) and probably mixing_mode='local-TF'.
And of course make sure that the structure is correct. </span></font></p>
<p><font color="#212121" face="wf_segoe-ui_normal, Segoe UI, Segoe WP, Tahoma, Arial, sans-serif, serif, EmojiFont"><span style="caret-color: rgb(33, 33, 33); font-size: 15px;"><br>
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<p><font color="#212121" face="wf_segoe-ui_normal, Segoe UI, Segoe WP, Tahoma, Arial, sans-serif, serif, EmojiFont"><span style="font-size: 15px;">The Quantum ESPRESSO input generator might be useful to check your input:</span></font></p>
<p><a href="https://www.materialscloud.org/work/tools/qeinputgenerator" id="LPlnk847950" previewremoved="true">https://www.materialscloud.org/work/tools/qeinputgenerator</a><font color="#212121" face="wf_segoe-ui_normal, Segoe UI, Segoe WP, Tahoma, Arial, sans-serif, serif, EmojiFont"><span style="caret-color: rgb(33, 33, 33); font-size: 15px;"><br>
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<p>HTH</p>
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<p><span style="font-family: Cambria, Georgia, serif;">Iurii</span></p>
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<div id="divRplyFwdMsg" dir="ltr"><font face="Calibri, sans-serif" style="font-size:11pt" color="#000000"><b>From:</b> imane BEZZAOUI <imane.bezzaoui@ump.ac.ma><br>
<b>Sent:</b> Saturday, June 3, 2023 1:35:06 PM<br>
<b>To:</b> users@lists.quantum-espresso.org; Iurii TIMROV<br>
<b>Subject:</b> Re: Problem with convergence</font>
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<div>Dear Iiuri</div>
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<div>Thank you for your replying,<br>
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I used q6.6 version there are my input file and my output file.
<div><br>
<div>For my output, I haven't finished executing, it because it obviously didn't converge</div>
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<div><b>-----------------------</b></div>
<b>Imane BEZZAOUI PhD Student</b>
<div><b>-----------------------</b></div>
<div><b>Laboratory of Industrial Engineering and Seismic Engineering.</b></div>
<div><b>National School of Applied Science. </b></div>
<div><b>University Mohammed First Oujda, Morocco.</b></div>
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