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<p class="MsoNormal">Dear (ESM-RISM) developers,<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal"><span lang="EN" style="font-family:"Corbel",sans-serif;mso-ligatures:none;mso-fareast-language:EN-GB">I am sending the input and output files of the DRISM calculation of the Au</span><span lang="EN-GB" style="font-family:"Corbel",sans-serif;mso-ligatures:none;mso-fareast-language:EN-GB">(111]/0.1
</span><span lang="EN" style="font-family:"Corbel",sans-serif;mso-ligatures:none;mso-fareast-language:EN-GB">M KCl system with -4.e charge. I could not get the converged calculation even though I tried changing almost all the parameters including increasing
the length of the unit cell. Since that I encounter this type of non-convergence very often with negatively charged systems, it would be very valuable to uncover its cause with this simple system. The problem worsens with decreasing concentration of the
ionic solution and increasing size of the counterions size (Li, Na, K, Cs).</span><span lang="EN-GB" style="font-family:"Corbel",sans-serif;mso-ligatures:none;mso-fareast-language:EN-GB"><o:p></o:p></span></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">Best regards,<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">Jiri Kanka<o:p></o:p></p>
<p class="MsoNormal">Optical Biosensors Group<o:p></o:p></p>
<p class="MsoNormal">Institute of Photonics and Electronics ASCR<o:p></o:p></p>
<p class="MsoNormal">Prague<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
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