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<p class="MsoNormal" align="left" style="text-align:left;mso-pagination:widow-orphan;
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mso-layout-grid-align:none;text-autospace:none"><span lang="EN-US" style="font-size:14.0pt;font-family:Times;mso-bidi-font-family:Times;
mso-font-kerning:0pt"><o:p> </o:p></span></p><p class="MsoNormal" align="left" style="text-align:left;mso-pagination:widow-orphan;
mso-layout-grid-align:none;text-autospace:none"><span lang="EN-US" style="font-size:14.0pt;font-family:Times;mso-bidi-font-family:Times;
mso-font-kerning:0pt">I want to simulation mental ions hydration in water. The ions
include Na+, K+, Ca2+, Mg2+. <o:p></o:p></span></p><p class="MsoNormal" align="left" style="text-align:left;mso-pagination:widow-orphan;
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mso-font-kerning:0pt">Here, I want to use GTH-PBE-q1 or q2 pseudopotential and
q1 or q2 basis. But only Mg2+ can be found the pseudopotential and basis in
CP2K/data file (GTH-PBE-q2, DZVP-GTH-PBE-q2).<o:p></o:p></span></p><p class="MsoNormal" align="left" style="text-align:left;mso-pagination:widow-orphan;
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mso-font-kerning:0pt">How can I get pseudopotential and basis for other ions?<o:p></o:p></span></p><p class="MsoListParagraph" align="left" style="margin-left:20.0pt;text-align:left;
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mso-font-kerning:0pt">Can I use full valance electrons pseudopotential and
basis to simulation ions? And what special settings should be considered?<o:p></o:p></span></p><p class="MsoNormal" align="left" style="text-align:left;mso-pagination:widow-orphan;
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<!--StartFragment-->
<!--EndFragment--></p><p class="MsoNormal"><span lang="EN-US" style="font-size:14.0pt;font-family:Times;
mso-bidi-font-family:Times;mso-font-kerning:0pt">Justin Zhou</span><span lang="EN-US"><o:p></o:p></span></p>
<!--EndFragment--></div>