Dear Haibei<div><br></div><div>The two minimizers are not related. </div><div>For GEO_OPT you can use any available method irrespective of the chosen SCF method.</div><div>Kind regards</div><div>Marcella<br><br></div><div class="gmail_quote"><div dir="auto" class="gmail_attr">On Sunday, October 4, 2020 at 4:33:46 AM UTC+2 ha...@gmail.com 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 users,<div><br></div><div>I noticed that in FORCE_EVAL/DFT/SCF/OT/ section, the "<a href="https://manual.cp2k.org/cp2k-7_1-branch/CP2K_INPUT/FORCE_EVAL/DFT/SCF/OT.html#list_MINIMIZER" target="_blank" rel="nofollow" data-saferedirecturl="https://www.google.com/url?hl=en&q=https://manual.cp2k.org/cp2k-7_1-branch/CP2K_INPUT/FORCE_EVAL/DFT/SCF/OT.html%23list_MINIMIZER&source=gmail&ust=1601881510215000&usg=AFQjCNH4SFW7sI8RfdD5Wcm3ZchrDNfo1A">MINIMIZER</a>" can be for examples,  CG and DIIS.  So the question is if I chose CG during geometry optimization, should I also use CG optimizer in the "MOTION/GEO_OPT" section? Is there any consistence between CG in "FORCE_EVAL/DFT/SCF/OT/" and "MOTION/GEO_OPT" section?</div><div><br></div><div>Thanks!</div><div>Haibei</div><div><br></div><div><br></div></blockquote></div>