<div dir="ltr">Thank you for your advice, I will try that!<br clear="all"><div><div dir="ltr" class="gmail_signature" data-smartmail="gmail_signature"><div dir="ltr">Hasan Al-Mahayni</div></div></div><br></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Thu, Apr 20, 2023 at 10:48 AM <a href="mailto:chaizi...@gmail.com">chaizi...@gmail.com</a> <<a href="mailto:chaiziwei2009@gmail.com">chaiziwei2009@gmail.com</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">Hi
<span style="color:rgb(32,33,36);font-family:Roboto,Arial,sans-serif;letter-spacing:0.25px;white-space:nowrap">Hasan,</span><div><font color="#202124" face="Roboto, Arial, sans-serif"><span style="letter-spacing:0.25px;white-space:nowrap"><br></span></font></div><div><font color="#202124" face="Roboto, Arial, sans-serif"><span style="letter-spacing:0.25px;white-space:nowrap">Based on my old calculations, a small enough ALPHA (e.g. 0.1) in the MIXING section would be helpful for the convergence of a metal slab system (with or without implicit solvent).</span></font></div><div><font color="#202124" face="Roboto, Arial, sans-serif"><span style="letter-spacing:0.25px;white-space:nowrap"><br></span></font></div><div><font color="#202124" face="Roboto, Arial, sans-serif"><span style="letter-spacing:0.25px;white-space:nowrap">I wish it will help a bit. </span></font></div><div><font color="#202124" face="Roboto, Arial, sans-serif"><span style="letter-spacing:0.25px;white-space:nowrap"><br></span></font></div><div><font color="#202124" face="Roboto, Arial, sans-serif"><span style="letter-spacing:0.25px;white-space:nowrap">Kind regards,</span></font></div><div><font color="#202124" face="Roboto, Arial, sans-serif"><span style="letter-spacing:0.25px;white-space:nowrap">Ziwei<br></span></font><br></div><div class="gmail_quote"><div dir="auto" class="gmail_attr">在2023年4月20日星期四 UTC+2 00:58:28<Hasan Al-Mahayni> 写道：<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">Hello Everyone,<div><br></div><div>I have a system of 4 layers of copper (a simple slab). I want to include solvation effects implicitly in my system. For now, just water as an electrolyte.; so I want all default settings. I added the following texts in my input file ( see attached "cp2k.inp"):</div><div><i><br></i></div><div><i>&SCCS<br>METHOD ANDREUSSI<br> &END SCCS</i><br></div><div><br></div><div>I attach the output file ("RESULTS"). My problem is that the SFC is not converging after many runs ~16 Opt. steps. Does anyone know what I can change to make it converge. Any help would be super useful! :) </div><div><br></div><div>Thanks,</div><div><br></div><div>Hasan.</div></blockquote></div>
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