<div><br></div>Dear  Matthias,<div>      I would like to apologize for my late response because that the gmail cannot be received normally in China, and thank you for your suggestions, I will have a try.</div><div><br></div><div>Best wishes,</div><div><br></div><div>Yongnian Qi</div><div class="gmail_quote"><div dir="auto" class="gmail_attr">在2022年5月4日星期三 UTC+8 15:42:35<Matthias Krack> 写道：<br/></div><blockquote class="gmail_quote" style="margin: 0 0 0 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;">





<div lang="en-CH" link="blue" vlink="purple" style="word-wrap:break-word">
<div>
<p class="MsoNormal"><span lang="EN-US">Hello<u></u><u></u></span></p>
<p class="MsoNormal"><span lang="EN-US"><u></u> <u></u></span></p>
<p class="MsoNormal"><span lang="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" target="_blank" rel="nofollow" data-saferedirecturl="https://www.google.com/url?hl=zh-CN&q=https://manual.cp2k.org/cp2k-9_1-branch/CP2K_INPUT/FORCE_EVAL/DFT/QS.html%23METHOD&source=gmail&ust=1652430159273000&usg=AOvVaw1GoeRkNC2cgilbYlPovhfj">
GAPW</a> method instead of the default GPW method.<u></u><u></u></span></p>
<p class="MsoNormal"><span lang="EN-US"><u></u> <u></u></span></p>
<p class="MsoNormal"><span lang="EN-US">Matthias<u></u><u></u></span></p></div></div><div lang="en-CH" link="blue" vlink="purple" style="word-wrap:break-word"><div>
<p class="MsoNormal"><span><u></u> <u></u></span></p>
<div style="border:none;border-top:solid #b5c4df 1.0pt;padding:3.0pt 0cm 0cm 0cm">
<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">"<a href data-email-masked rel="nofollow">cp...@googlegroups.com</a>" <<a href data-email-masked rel="nofollow">cp...@googlegroups.com</a>> on behalf of Yongnian Qi <<a href data-email-masked rel="nofollow">yunai...@gmail.com</a>><br>
<b>Reply to: </b>"<a href data-email-masked rel="nofollow">cp...@googlegroups.com</a>" <<a href data-email-masked rel="nofollow">cp...@googlegroups.com</a>><br>
<b>Date: </b>Tuesday, 3 May 2022 at 12:11<br>
<b>To: </b>"<a href data-email-masked rel="nofollow">cp...@googlegroups.com</a>" <<a href data-email-masked rel="nofollow">cp...@googlegroups.com</a>><br>
<b>Subject: </b>[CP2K:16910] pseudo-potential with new partition of core and valence electrons<u></u><u></u></span></p>
</div>
<div>
<p class="MsoNormal" style="margin-left:36.0pt"><u></u> <u></u></p>
</div>
<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<u></u><u></u></p>
</div></div><div lang="en-CH" link="blue" vlink="purple" style="word-wrap:break-word"><div><p class="MsoNormal" style="margin-left:36.0pt">-- <br>
You received this message because you are subscribed to the Google Groups "cp2k" group.<br>
To unsubscribe from this group and stop receiving emails from it, send an email to
<a href data-email-masked rel="nofollow">cp2k+uns...@googlegroups.com</a>.<br>
To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/6c3153f5-1dc8-4c58-9449-39c2e6642c82n%40googlegroups.com?utm_medium=email&utm_source=footer" target="_blank" rel="nofollow" data-saferedirecturl="https://www.google.com/url?hl=zh-CN&q=https://groups.google.com/d/msgid/cp2k/6c3153f5-1dc8-4c58-9449-39c2e6642c82n%2540googlegroups.com?utm_medium%3Demail%26utm_source%3Dfooter&source=gmail&ust=1652430159274000&usg=AOvVaw03p5HoiI--AiqaCF8J0P1f">
https://groups.google.com/d/msgid/cp2k/6c3153f5-1dc8-4c58-9449-39c2e6642c82n%40googlegroups.com</a>.<br>
<br>
<u></u><u></u></p>
</div>
</div>

</blockquote></div>

<p></p>

-- <br />
You received this message because you are subscribed to the Google Groups "cp2k" group.<br />
To unsubscribe from this group and stop receiving emails from it, send an email to <a href="mailto:cp2k+unsubscribe@googlegroups.com">cp2k+unsubscribe@googlegroups.com</a>.<br />
To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/b5263cd4-38cf-4c5f-9c49-650037a44980n%40googlegroups.com?utm_medium=email&utm_source=footer">https://groups.google.com/d/msgid/cp2k/b5263cd4-38cf-4c5f-9c49-650037a44980n%40googlegroups.com</a>.<br />