<div dir="ltr">Thank you Matthias.<div><br></div><div>Best,</div><div>XIaoming<br><br>On Tuesday, January 29, 2019 at 3:38:00 AM UTC-5, Matthias Krack wrote:<blockquote class="gmail_quote" style="margin: 0;margin-left: 0.8ex;border-left: 1px #ccc solid;padding-left: 1ex;">





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<p class="MsoNormal"><span lang="EN-GB" style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1f497d">Hi Xiaoming</span></p>
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<p class="MsoNormal"><span lang="EN-GB" style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1f497d">there is only a PBESol GTH PP parameter set for boron available from that database. People often use just the PBE GTH PP parameter sets for PBESol.
 Alternatively, you can generate PBESol optimised GTH PPs with the ATOM module of CP2K using the corresponding PBE parameter set as an initial guess. That fit should rapidly converge.</span></p>
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<p class="MsoNormal"><span lang="EN-GB" style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1f497d">HTH</span></p>
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<p class="MsoNormal"><span lang="EN-GB" style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1f497d">Matthias</span></p>
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<p class="MsoNormal"><b><span style="font-size:11.0pt;font-family:"Calibri",sans-serif">From:</span></b><span style="font-size:11.0pt;font-family:"Calibri",sans-serif"> <a href="javascript:" target="_blank" gdf-obfuscated-mailto="Mx4ZeHPuFwAJ" rel="nofollow" onmousedown="this.href='javascript:';return true;" onclick="this.href='javascript:';return true;">cp...@googlegroups.com</a> <<a href="javascript:" target="_blank" gdf-obfuscated-mailto="Mx4ZeHPuFwAJ" rel="nofollow" onmousedown="this.href='javascript:';return true;" onclick="this.href='javascript:';return true;">cp...@googlegroups.com</a>>
<b>On Behalf Of </b>Xiaoming Wang<br>
<b>Sent:</b> Dienstag, 29. Januar 2019 04:18<br>
<b>To:</b> cp2k <<a href="javascript:" target="_blank" gdf-obfuscated-mailto="Mx4ZeHPuFwAJ" rel="nofollow" onmousedown="this.href='javascript:';return true;" onclick="this.href='javascript:';return true;">cp...@googlegroups.com</a>><br>
<b>Subject:</b> [CP2K:11215] PBEsol GTH potential</span></p>
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<p class="MsoNormal">Hello,</p>
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<p class="MsoNormal">Anyone has the PBEsol GTH potentials? It seems the website <a href="https://www.cp2k.org/static/potentials/" target="_blank" rel="nofollow" onmousedown="this.href='https://www.google.com/url?q\x3dhttps%3A%2F%2Fwww.cp2k.org%2Fstatic%2Fpotentials%2F\x26sa\x3dD\x26sntz\x3d1\x26usg\x3dAFQjCNHYwk_7D6x3mYR7NDjka4l8JGag1Q';return true;" onclick="this.href='https://www.google.com/url?q\x3dhttps%3A%2F%2Fwww.cp2k.org%2Fstatic%2Fpotentials%2F\x26sa\x3dD\x26sntz\x3d1\x26usg\x3dAFQjCNHYwk_7D6x3mYR7NDjka4l8JGag1Q';return true;">https://www.cp2k.org/<wbr>static/potentials/</a> doesn't work now.</p>
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<p class="MsoNormal">Best,</p>
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<p class="MsoNormal">XIaoming</p>
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