Thanks!<br /><br /><div class="gmail_quote"><div dir="auto" class="gmail_attr">On Saturday, August 31, 2024 at 7:37:12 AM UTC-5 xuan wang wrote:<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 dir="auto">Hi,</div><div dir="auto">This POTENTIAL _FILE_NAME do cannot repeat, BASIS_SET_FILE_NAME can. You can copy potentials into one file, then for newly defined potential file name.</div><div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">Cheng <<a href data-email-masked rel="nofollow">pen...@gmail.com</a>>于2024年8月31日 周六20:33写道：<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left-width:1px;border-left-style:solid;padding-left:1ex;border-left-color:rgb(204,204,204)"></blockquote></div></div><div><div class="gmail_quote"><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left-width:1px;border-left-style:solid;padding-left:1ex;border-left-color:rgb(204,204,204)"><div>Dear all,</div><div><br></div><div>

I am currently working with CP2K v2024.2 and would like to use different potential files for different elements. In the &DFT& section of my input file, I tried adding two potential file names as follows:

</div>   POTENTIAL_FILE_NAME  GTH_POTENTIALS <br><div>   POTENTIAL_FILE_NAME  LnPP1_POTENTIALS</div><div><br></div><div>However, I encountered the following error:
"Keyword POTENTIAL_FILE_NAME in section DFT should not repeat."  </div><div><p>I would greatly appreciate any advice or suggestions on how to resolve this issue.</p><p>Thank you in advance for your help.</p></div><div>Best regards,<br></div><div>Cheng</div>

<p></p></blockquote></div></div><div><div class="gmail_quote"><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left-width:1px;border-left-style:solid;padding-left:1ex;border-left-color:rgb(204,204,204)">

-- <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/70b852e4-d947-45b3-931c-e81dbf49cfban%40googlegroups.com?utm_medium=email&utm_source=footer" target="_blank" rel="nofollow" data-saferedirecturl="https://www.google.com/url?hl=en&q=https://groups.google.com/d/msgid/cp2k/70b852e4-d947-45b3-931c-e81dbf49cfban%2540googlegroups.com?utm_medium%3Demail%26utm_source%3Dfooter&source=gmail&ust=1725195658855000&usg=AOvVaw1MlWachjEnaWbE3NmnOhjC">https://groups.google.com/d/msgid/cp2k/70b852e4-d947-45b3-931c-e81dbf49cfban%40googlegroups.com</a>.<br>
</blockquote></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/7b5e27e1-43ac-4085-b9f1-66d7ab284603n%40googlegroups.com?utm_medium=email&utm_source=footer">https://groups.google.com/d/msgid/cp2k/7b5e27e1-43ac-4085-b9f1-66d7ab284603n%40googlegroups.com</a>.<br />