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<p class="MsoNormal"><span lang="EN-US" style="mso-fareast-language:EN-US">Hello<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US" style="mso-fareast-language:EN-US"><o:p> </o:p></span></p>
<p class="MsoNormal"><span lang="EN-US" style="mso-fareast-language:EN-US">You can try an all-electron calculation (POTENTIAL ALL) using the
<a href="https://manual.cp2k.org/cp2k-9_1-branch/CP2K_INPUT/FORCE_EVAL/DFT/QS.html#METHOD">
GAPW</a> method instead of the default GPW method.<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US" style="mso-fareast-language:EN-US"><o:p> </o:p></span></p>
<p class="MsoNormal"><span lang="EN-US" style="mso-fareast-language:EN-US">Matthias<o:p></o:p></span></p>
<p class="MsoNormal"><span style="mso-fareast-language:EN-US"><o:p> </o:p></span></p>
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<p class="MsoNormal" style="margin-left:36.0pt"><b><span style="font-size:12.0pt;color:black">From:
</span></b><span style="font-size:12.0pt;color:black">"cp2k@googlegroups.com" <cp2k@googlegroups.com> on behalf of Yongnian Qi <yunai238471@gmail.com><br>
<b>Reply to: </b>"cp2k@googlegroups.com" <cp2k@googlegroups.com><br>
<b>Date: </b>Tuesday, 3 May 2022 at 12:11<br>
<b>To: </b>"cp2k@googlegroups.com" <cp2k@googlegroups.com><br>
<b>Subject: </b>[CP2K:16910] pseudo-potential with new partition of core and valence electrons<o:p></o:p></span></p>
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<p class="MsoNormal" style="margin-left:36.0pt"><o:p> </o:p></p>
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<p class="MsoNormal" style="margin-left:36.0pt">Dear experts,<br>
I have tried to model the high temperature behavior of silicon, using a different pseudo-potential, which treats the 2s and 2p as valence electrons as well. However, I cannot find this kind of pseudo-potential, and the pseudo-potential created by ATOMPAW only
support ABINIT and QE code. Can you give me some suggestions? any help will be of great appreciate.<br>
Best regards,<br>
Yongnian, Qi<o:p></o:p></p>
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