Hi,<div><br></div><div>Table 1, https://arxiv.org/abs/1605.06971</div><div><br></div><div>-T<br><br></div><div class="gmail_quote"><div dir="auto" class="gmail_attr">On Monday, November 9, 2020 at 11:48:45 AM UTC-5 o....@campus.unimib.it 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;">Dear Frederick, <br><div>Could you please tell me where you found the paramteres for the D3 correction for SCAN XC functional?</div><div>I am looking for the <a href="https://manual.cp2k.org/cp2k-7_1-branch/CP2K_INPUT/ATOM/METHOD/XC/VDW_POTENTIAL/PAIR_POTENTIAL.html#list_D3_SCALING" target="_blank" rel="nofollow" data-saferedirecturl="https://www.google.com/url?hl=en&q=https://manual.cp2k.org/cp2k-7_1-branch/CP2K_INPUT/ATOM/METHOD/XC/VDW_POTENTIAL/PAIR_POTENTIAL.html%23list_D3_SCALING&source=gmail&ust=1605028564961000&usg=AFQjCNEmlUPz1fgKu03FEhLF3n0R-zKTBQ">D3_SCALING</a> paramteres and not the D3BJ. <br></div><div>Thanks </div><div>best regareds, <br></div><div>Omar <br></div><div class="gmail_quote"><div dir="auto" class="gmail_attr">Il giorno mercoledì 5 febbraio 2020 alle 10:37:03 UTC+1 Frederick Stein ha scritto:<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="ltr">Hi Giuseppe,<div><br></div><div>I will add the new parameters soon. According to the manual, you can use a work around. Just add</div><div><br></div><div>D3BJ_SCALING 1.0 0.538 0.0 5.420</div><div><br></div><div>in your &PAIR_POTENTIAL section.</div><div><br></div><div>It works the same with the DFT-D3 correction but using the keyword D3_SCALING. (compare <a href="https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/DFT/XC/VDW_POTENTIAL/PAIR_POTENTIAL.html" rel="nofollow" target="_blank" data-saferedirecturl="https://www.google.com/url?hl=en&q=https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/DFT/XC/VDW_POTENTIAL/PAIR_POTENTIAL.html&source=gmail&ust=1605028564961000&usg=AFQjCNHeTdWRBMpLFyV1LigxMTVh3VjUwg">https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/DFT/XC/VDW_POTENTIAL/PAIR_POTENTIAL.html</a> for reference)</div><div><br></div><div>Best,</div><div>Frederick</div></div></blockquote></div></blockquote></div>