<div dir="ltr"><div>Many thanks, dear Fred, very useful! <br></div><div><br></div><div>Cheers,</div><div>Giuseppe<br></div><br>On Wednesday, February 5, 2020 at 10:37:03 AM UTC+1, Frederick Stein wrote:<blockquote class="gmail_quote" style="margin: 0;margin-left: 0.8ex;border-left: 1px #ccc solid;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" target="_blank" rel="nofollow" onmousedown="this.href='https://www.google.com/url?q\x3dhttps%3A%2F%2Fmanual.cp2k.org%2Ftrunk%2FCP2K_INPUT%2FFORCE_EVAL%2FDFT%2FXC%2FVDW_POTENTIAL%2FPAIR_POTENTIAL.html\x26sa\x3dD\x26sntz\x3d1\x26usg\x3dAFQjCNFTnLHArxMC2aCio4eyq3xreZehtQ';return true;" onclick="this.href='https://www.google.com/url?q\x3dhttps%3A%2F%2Fmanual.cp2k.org%2Ftrunk%2FCP2K_INPUT%2FFORCE_EVAL%2FDFT%2FXC%2FVDW_POTENTIAL%2FPAIR_POTENTIAL.html\x26sa\x3dD\x26sntz\x3d1\x26usg\x3dAFQjCNFTnLHArxMC2aCio4eyq3xreZehtQ';return true;">https://manual.cp2k.<wbr>org/trunk/CP2K_INPUT/FORCE_<wbr>EVAL/DFT/XC/VDW_POTENTIAL/<wbr>PAIR_POTENTIAL.html</a> for reference)</div><div><br></div><div>Best,</div><div>Frederick</div></div></blockquote></div>