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>

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