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<p class="MsoNormal"><span lang="EN-US" style="font-size:11.0pt;mso-fareast-language:EN-US">Dear all<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US" style="font-size:11.0pt;mso-fareast-language:EN-US"><o:p> </o:p></span></p>
<p class="MsoNormal"><span lang="EN-US" style="font-size:11.0pt;mso-fareast-language:EN-US">The NLCC GTH PPs can be found like all available GTH PPs in CP2K’s database folder
<a href="https://github.com/cp2k/cp2k/tree/master/data">cp2k/data</a>. The NLCC PPs from
</span><span style="color:black"><a href="https://pubs.aip.org/aip/jcp/article/138/10/104109/192958/Norm-conserving-pseudopotentials-with-chemical">doi:10.1063/1.4793260</a></span><span style="color:black">
<span lang="EN-US">are collected in the file <a href="https://github.com/cp2k/cp2k/blob/master/data/NLCC_POTENTIALS">
NLCC_POTENTIALS</a>.<o:p></o:p></span></span></p>
<p class="MsoNormal"><span lang="EN-US" style="color:black"><o:p> </o:p></span></p>
<p class="MsoNormal"><span lang="EN-US" style="color:black">HTH<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US" style="color:black"><o:p> </o:p></span></p>
<p class="MsoNormal"><span lang="EN-US" style="color:black">Matthias</span><span lang="EN-US" style="font-size:11.0pt;mso-fareast-language:EN-US"><o:p></o:p></span></p>
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<b><span style="color:black">From: </span></b><span style="color:black">users <users-bounces@lists.quantum-espresso.org> on behalf of yike.huang--- via users <users@lists.quantum-espresso.org><br>
<b>Date: </b>Tuesday, 22 October 2024 at 09:22<br>
<b>To: </b>pdelugas@sissa.it <pdelugas@sissa.it>, users@lists.quantum-espresso.org <users@lists.quantum-espresso.org><br>
<b>Subject: </b>Re: [QE-users] Where to get HGH-NLCC pseudopotential?<o:p></o:p></span></p>
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<p class="MsoNormal" style="margin-left:36.0pt"><span style="color:black">Hi, Pietro!<o:p></o:p></span></p>
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<p class="MsoNormal" style="margin-left:36.0pt"><span style="color:black"><o:p> </o:p></span></p>
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<p class="MsoNormal" style="margin-left:36.0pt"><span style="color:black">Thanks for your reply, I have noted that library before, but there are only pseudopotentials without NLCC (the nonlinear core correction), they are not the version tested in the work
" Norm-conserving pseudopotentials with chemical accuracy compared<br>
to all-electron calculations" (doi: 10.1063/1.4793260).<o:p></o:p></span></p>
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<p class="MsoNormal" style="margin-left:36.0pt"><span style="color:black"><o:p> </o:p></span></p>
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<p class="MsoNormal" style="margin-left:36.0pt"><span style="color:black">Very best wishes,<o:p></o:p></span></p>
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<p class="MsoNormal" style="margin-left:36.0pt"><span style="color:black">Yike HUANG<o:p></o:p></span></p>
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<p class="MsoNormal" style="margin-left:36.0pt"><span style="color:black"><o:p> </o:p></span></p>
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